Daily Papers

To address the interpretability challenge in machine learning (ML) systems, counterfactual explanations (CEs) have emerged as a promising solution. CEs are unique as they provide workable suggestions to users, in addition to explaining why a certain outcome was predicted. The application of CEs encounters two main challenges: general user preferences and variable ML systems. User preferences tend to be general rather than specific, and CEs need to be adaptable to variable ML models while maintaining robustness even as these models change. Facing these challenges, we present a solution rooted in validated general user preferences, which are derived from thorough user research. We map these preferences to the properties of CEs. Additionally, we introduce a novel method, Tree-based Conditions Optional Links (T-COL), which incorporates two optional structures and multiple condition groups for generating CEs adaptable to general user preferences. Meanwhile, we employ T-COL to enhance the robustness of CEs with specific conditions, making them more valid even when the ML model is replaced. Our experimental comparisons under different user preferences show that T-COL outperforms all baselines, including Large Language Models which are shown to be able to generate counterfactuals.

Throughout the course of my Ph.D., I have been designing the user experience (UX) of various machine learning (ML) systems. In this workshop, I share two projects as case studies in which people engage with ML in much more complicated and nuanced ways than the technical HCML work might assume. The first case study describes how cardiology teams in three hospitals used a clinical decision-support system that helps them decide whether and when to implant an artificial heart to a heart failure patient. I demonstrate that physicians cannot draw on their decision-making experience by seeing only patient data on paper. They are also confused by some fundamental premises upon which ML operates. For example, physicians asked: Are ML predictions made based on clinicians' best efforts? Is it ethical to make decisions based on previous patients' collective outcomes? In the second case study, my collaborators and I designed an intelligent text editor, with the goal of improving authors' writing experience with NLP (Natural Language Processing) technologies. We prototyped a number of generative functionalities where the system provides phrase-or-sentence-level writing suggestions upon user request. When writing with the prototype, however, authors shared that they need to "see where the sentence is going two paragraphs later" in order to decide whether the suggestion aligns with their writing; Some even considered adopting machine suggestions as plagiarism, therefore "is simply wrong". By sharing these unexpected and intriguing responses from these real-world ML users, I hope to start a discussion about such previously-unknown complexities and nuances of -- as the workshop proposal states -- "putting ML at the service of people in a way that is accessible, useful, and trustworthy to all".

Organizations of all sizes, across all industries and domains are leveraging artificial intelligence (AI) technologies to solve some of their biggest challenges around operations, customer experience, and much more. However, due to the probabilistic nature of AI, the risks associated with it are far greater than traditional technologies. Research has shown that these risks can range anywhere from regulatory, compliance, reputational, and user trust, to financial and even societal risks. Depending on the nature and size of the organization, AI technologies can pose a significant risk, if not used in a responsible way. This position paper seeks to present a brief introduction to AI governance, which is a framework designed to oversee the responsible use of AI with the goal of preventing and mitigating risks. Having such a framework will not only manage risks but also gain maximum value out of AI projects and develop consistency for organization-wide adoption of AI.

Decision-based adversarial attacks construct inputs that fool a machine-learning model into making targeted mispredictions by making only hard-label queries. For the most part, these attacks have been applied directly to isolated neural network models. However, in practice, machine learning models are just a component of a much larger system. By adding just a single preprocessor in front of a classifier, we find that state-of-the-art query-based attacks are as much as seven times less effective at attacking a prediction pipeline than attacking the machine learning model alone. Hence, attacks that are unaware of this invariance inevitably waste a large number of queries to re-discover or overcome it. We, therefore, develop techniques to first reverse-engineer the preprocessor and then use this extracted information to attack the end-to-end system. Our extraction method requires only a few hundred queries to learn the preprocessors used by most publicly available model pipelines, and our preprocessor-aware attacks recover the same efficacy as just attacking the model alone. The code can be found at https://github.com/google-research/preprocessor-aware-black-box-attack.

Machine learning systems are known to be sensitive to spurious correlations between biased features of the inputs (e.g., background, texture, and secondary objects) and the corresponding labels. These features and their correlations with the labels are known as "spurious" because they tend to change with shifts in real-world data distributions, which can negatively impact the model's generalization and robustness. In this survey, we provide a comprehensive review of this issue, along with a taxonomy of current state-of-the-art methods for addressing spurious correlations in machine learning models. Additionally, we summarize existing datasets, benchmarks, and metrics to aid future research. The paper concludes with a discussion of the recent advancements and future research challenges in this field, aiming to provide valuable insights for researchers in the related domains.

Modern machine learning systems use models trained on ever-growing corpora. Typically, metadata such as ownership, access control, or licensing information is ignored during training. Instead, to mitigate privacy risks, we rely on generic techniques such as dataset sanitization and differentially private model training, with inherent privacy/utility trade-offs that hurt model performance. Moreover, these techniques have limitations in scenarios where sensitive information is shared across multiple participants and fine-grained access control is required. By ignoring metadata, we therefore miss an opportunity to better address security, privacy, and confidentiality challenges. In this paper, we take an information flow control perspective to describe machine learning systems, which allows us to leverage metadata such as access control policies and define clear-cut privacy and confidentiality guarantees with interpretable information flows. Under this perspective, we contrast two different approaches to achieve user-level non-interference: 1) fine-tuning per-user models, and 2) retrieval augmented models that access user-specific datasets at inference time. We compare these two approaches to a trivially non-interfering zero-shot baseline using a public model and to a baseline that fine-tunes this model on the whole corpus. We evaluate trained models on two datasets of scientific articles and demonstrate that retrieval augmented architectures deliver the best utility, scalability, and flexibility while satisfying strict non-interference guarantees.

As machine learning systems become ubiquitous, there has been a surge of interest in interpretable machine learning: systems that provide explanation for their outputs. These explanations are often used to qualitatively assess other criteria such as safety or non-discrimination. However, despite the interest in interpretability, there is very little consensus on what interpretable machine learning is and how it should be measured. In this position paper, we first define interpretability and describe when interpretability is needed (and when it is not). Next, we suggest a taxonomy for rigorous evaluation and expose open questions towards a more rigorous science of interpretable machine learning.

Despite the advancement of machine learning techniques in recent years, state-of-the-art systems lack robustness to "real world" events, where the input distributions and tasks encountered by the deployed systems will not be limited to the original training context, and systems will instead need to adapt to novel distributions and tasks while deployed. This critical gap may be addressed through the development of "Lifelong Learning" systems that are capable of 1) Continuous Learning, 2) Transfer and Adaptation, and 3) Scalability. Unfortunately, efforts to improve these capabilities are typically treated as distinct areas of research that are assessed independently, without regard to the impact of each separate capability on other aspects of the system. We instead propose a holistic approach, using a suite of metrics and an evaluation framework to assess Lifelong Learning in a principled way that is agnostic to specific domains or system techniques. Through five case studies, we show that this suite of metrics can inform the development of varied and complex Lifelong Learning systems. We highlight how the proposed suite of metrics quantifies performance trade-offs present during Lifelong Learning system development - both the widely discussed Stability-Plasticity dilemma and the newly proposed relationship between Sample Efficient and Robust Learning. Further, we make recommendations for the formulation and use of metrics to guide the continuing development of Lifelong Learning systems and assess their progress in the future.

Applying DevOps practices to machine learning system is termed as MLOps and machine learning systems evolve on new data unlike traditional systems on requirements. The objective of MLOps is to establish a connection between different open-source tools to construct a pipeline that can automatically perform steps to construct a dataset, train the machine learning model and deploy the model to the production as well as store different versions of model and dataset. Benefits of MLOps is to make sure the fast delivery of the new trained models to the production to have accurate results. Furthermore, MLOps practice impacts the overall quality of the software products and is completely dependent on open-source tools and selection of relevant open-source tools is considered as challenged while a generalized method to select an appropriate open-source tools is desirable. In this paper, we present a framework for recommendation system that processes the contextual information (e.g., nature of data, type of the data) of the machine learning project and recommends a relevant toolchain (tech-stack) for the operationalization of machine learning systems. To check the applicability of the proposed framework, four different approaches i.e., rule-based, random forest, decision trees and k-nearest neighbors were investigated where precision, recall and f-score is measured, the random forest out classed other approaches with highest f-score value of 0.66.

Modeling weather and climate is an essential endeavor to understand the near- and long-term impacts of climate change, as well as inform technology and policymaking for adaptation and mitigation efforts. In recent years, there has been a surging interest in applying data-driven methods based on machine learning for solving core problems such as weather forecasting and climate downscaling. Despite promising results, much of this progress has been impaired due to the lack of large-scale, open-source efforts for reproducibility, resulting in the use of inconsistent or underspecified datasets, training setups, and evaluations by both domain scientists and artificial intelligence researchers. We introduce ClimateLearn, an open-source PyTorch library that vastly simplifies the training and evaluation of machine learning models for data-driven climate science. ClimateLearn consists of holistic pipelines for dataset processing (e.g., ERA5, CMIP6, PRISM), implementation of state-of-the-art deep learning models (e.g., Transformers, ResNets), and quantitative and qualitative evaluation for standard weather and climate modeling tasks. We supplement these functionalities with extensive documentation, contribution guides, and quickstart tutorials to expand access and promote community growth. We have also performed comprehensive forecasting and downscaling experiments to showcase the capabilities and key features of our library. To our knowledge, ClimateLearn is the first large-scale, open-source effort for bridging research in weather and climate modeling with modern machine learning systems. Our library is available publicly at https://github.com/aditya-grover/climate-learn.

A growing body of work shows that many problems in fairness, accountability, transparency, and ethics in machine learning systems are rooted in decisions surrounding the data collection and annotation process. In spite of its fundamental nature however, data collection remains an overlooked part of the machine learning (ML) pipeline. In this paper, we argue that a new specialization should be formed within ML that is focused on methodologies for data collection and annotation: efforts that require institutional frameworks and procedures. Specifically for sociocultural data, parallels can be drawn from archives and libraries. Archives are the longest standing communal effort to gather human information and archive scholars have already developed the language and procedures to address and discuss many challenges pertaining to data collection such as consent, power, inclusivity, transparency, and ethics & privacy. We discuss these five key approaches in document collection practices in archives that can inform data collection in sociocultural ML. By showing data collection practices from another field, we encourage ML research to be more cognizant and systematic in data collection and draw from interdisciplinary expertise.

Modern machine learning systems rely on large datasets to attain broad generalization, and this often poses a challenge in robot learning, where each robotic platform and task might have only a small dataset. By training a single policy across many different kinds of robots, a robot learning method can leverage much broader and more diverse datasets, which in turn can lead to better generalization and robustness. However, training a single policy on multi-robot data is challenging because robots can have widely varying sensors, actuators, and control frequencies. We propose CrossFormer, a scalable and flexible transformer-based policy that can consume data from any embodiment. We train CrossFormer on the largest and most diverse dataset to date, 900K trajectories across 20 different robot embodiments. We demonstrate that the same network weights can control vastly different robots, including single and dual arm manipulation systems, wheeled robots, quadcopters, and quadrupeds. Unlike prior work, our model does not require manual alignment of the observation or action spaces. Extensive experiments in the real world show that our method matches the performance of specialist policies tailored for each embodiment, while also significantly outperforming the prior state of the art in cross-embodiment learning.

Traditional machine learning systems are deployed under the closed-world setting, which requires the entire training data before the offline training process. However, real-world applications often face the incoming new classes, and a model should incorporate them continually. The learning paradigm is called Class-Incremental Learning (CIL). We propose a Python toolbox that implements several key algorithms for class-incremental learning to ease the burden of researchers in the machine learning community. The toolbox contains implementations of a number of founding works of CIL such as EWC and iCaRL, but also provides current state-of-the-art algorithms that can be used for conducting novel fundamental research. This toolbox, named PyCIL for Python Class-Incremental Learning, is available at https://github.com/G-U-N/PyCIL

In many machine learning systems that jointly learn from multiple modalities, a core research question is to understand the nature of multimodal interactions: the emergence of new task-relevant information during learning from both modalities that was not present in either alone. We study this challenge of interaction quantification in a semi-supervised setting with only labeled unimodal data and naturally co-occurring multimodal data (e.g., unlabeled images and captions, video and corresponding audio) but when labeling them is time-consuming. Using a precise information-theoretic definition of interactions, our key contributions are the derivations of lower and upper bounds to quantify the amount of multimodal interactions in this semi-supervised setting. We propose two lower bounds based on the amount of shared information between modalities and the disagreement between separately trained unimodal classifiers, and derive an upper bound through connections to approximate algorithms for min-entropy couplings. We validate these estimated bounds and show how they accurately track true interactions. Finally, two semi-supervised multimodal applications are explored based on these theoretical results: (1) analyzing the relationship between multimodal performance and estimated interactions, and (2) self-supervised learning that embraces disagreement between modalities beyond agreement as is typically done.

Fairness is essential for machine learning systems deployed in high-stake applications. Among all fairness notions, individual fairness, deriving from a consensus that `similar individuals should be treated similarly,' is a vital notion to describe fair treatment for individual cases. Previous studies typically characterize individual fairness as a prediction-invariant problem when perturbing sensitive attributes on samples, and solve it by Distributionally Robust Optimization (DRO) paradigm. However, such adversarial perturbations along a direction covering sensitive information used in DRO do not consider the inherent feature correlations or innate data constraints, therefore could mislead the model to optimize at off-manifold and unrealistic samples. In light of this drawback, in this paper, we propose to learn and generate antidote data that approximately follows the data distribution to remedy individual unfairness. These generated on-manifold antidote data can be used through a generic optimization procedure along with original training data, resulting in a pure pre-processing approach to individual unfairness, or can also fit well with the in-processing DRO paradigm. Through extensive experiments on multiple tabular datasets, we demonstrate our method resists individual unfairness at a minimal or zero cost to predictive utility compared to baselines.

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

Typically, machine learning systems solve new tasks by training on thousands of examples. In contrast, humans can solve new tasks by reading some instructions, with perhaps an example or two. To take a step toward closing this gap, we introduce a framework for developing NLP systems that solve new tasks after reading their descriptions, synthesizing prior work in this area. We instantiate this framework with a new English language dataset, ZEST, structured for task-oriented evaluation on unseen tasks. Formulating task descriptions as questions, we ensure each is general enough to apply to many possible inputs, thus comprehensively evaluating a model's ability to solve each task. Moreover, the dataset's structure tests specific types of systematic generalization. We find that the state-of-the-art T5 model achieves a score of 12% on ZEST, leaving a significant challenge for NLP researchers.

Modern sensors produce increasingly rich streams of high-resolution data. Due to resource constraints, machine learning systems discard the vast majority of this information via resolution reduction. Compressed-domain learning allows models to operate on compact latent representations, allowing higher effective resolution for the same budget. However, existing compression systems are not ideal for compressed learning. Linear transform coding and end-to-end learned compression systems reduce bitrate, but do not uniformly reduce dimensionality; thus, they do not meaningfully increase efficiency. Generative autoencoders reduce dimensionality, but their adversarial or perceptual objectives lead to significant information loss. To address these limitations, we introduce WaLLoC (Wavelet Learned Lossy Compression), a neural codec architecture that combines linear transform coding with nonlinear dimensionality-reducing autoencoders. WaLLoC sandwiches a shallow, asymmetric autoencoder and entropy bottleneck between an invertible wavelet packet transform. Across several key metrics, WaLLoC outperforms the autoencoders used in state-of-the-art latent diffusion models. WaLLoC does not require perceptual or adversarial losses to represent high-frequency detail, providing compatibility with modalities beyond RGB images and stereo audio. WaLLoC's encoder consists almost entirely of linear operations, making it exceptionally efficient and suitable for mobile computing, remote sensing, and learning directly from compressed data. We demonstrate WaLLoC's capability for compressed-domain learning across several tasks, including image classification, colorization, document understanding, and music source separation. Our code, experiments, and pre-trained audio and image codecs are available at https://ut-sysml.org/walloc

Learning high-quality feature embeddings efficiently and effectively is critical for the performance of web-scale machine learning systems. A typical model ingests hundreds of features with vocabularies on the order of millions to billions of tokens. The standard approach is to represent each feature value as a d-dimensional embedding, introducing hundreds of billions of parameters for extremely high-cardinality features. This bottleneck has led to substantial progress in alternative embedding algorithms. Many of these methods, however, make the assumption that each feature uses an independent embedding table. This work introduces a simple yet highly effective framework, Feature Multiplexing, where one single representation space is used across many different categorical features. Our theoretical and empirical analysis reveals that multiplexed embeddings can be decomposed into components from each constituent feature, allowing models to distinguish between features. We show that multiplexed representations lead to Pareto-optimal parameter-accuracy tradeoffs for three public benchmark datasets. Further, we propose a highly practical approach called Unified Embedding with three major benefits: simplified feature configuration, strong adaptation to dynamic data distributions, and compatibility with modern hardware. Unified embedding gives significant improvements in offline and online metrics compared to highly competitive baselines across five web-scale search, ads, and recommender systems, where it serves billions of users across the world in industry-leading products.

Contemporary intelligent systems incorporate software components, including machine learning components. As they grow in complexity and data volume such machine learning systems face unique quality challenges like scalability and performance. To overcome them, engineers may often use specific architectural patterns, however their impact on ML systems is difficult to quantify. The effect of software architecture on traditional systems is well studied, however more work is needed in the area of machine learning systems. This study proposes a framework for quantitative assessment of architectural patterns in ML systems, focusing on scalability and performance metrics for cost-effective CPU-based inference. We integrate these metrics into a systematic evaluation process for selection of architectural patterns and demonstrate its application through a case study. The approach shown in the paper should enable software architects to objectively analyze and select optimal patterns, addressing key challenges in ML system design.

Machine learning has shown growing success in recent years. However, current machine learning systems are highly specialized, trained for particular problems or domains, and typically on a single narrow dataset. Human learning, on the other hand, is highly general and adaptable. Never-ending learning is a machine learning paradigm that aims to bridge this gap, with the goal of encouraging researchers to design machine learning systems that can learn to perform a wider variety of inter-related tasks in more complex environments. To date, there is no environment or testbed to facilitate the development and evaluation of never-ending learning systems. To this end, we propose the Jelly Bean World testbed. The Jelly Bean World allows experimentation over two-dimensional grid worlds which are filled with items and in which agents can navigate. This testbed provides environments that are sufficiently complex and where more generally intelligent algorithms ought to perform better than current state-of-the-art reinforcement learning approaches. It does so by producing non-stationary environments and facilitating experimentation with multi-task, multi-agent, multi-modal, and curriculum learning settings. We hope that this new freely-available software will prompt new research and interest in the development and evaluation of never-ending learning systems and more broadly, general intelligence systems.

Self-supervised features are the cornerstone of modern machine learning systems. They are typically pre-trained on data collections whose construction and curation typically require extensive human effort. This manual process has some limitations similar to those encountered in supervised learning, e.g., the crowd-sourced selection of data is costly and time-consuming, preventing scaling the dataset size. In this work, we consider the problem of automatic curation of high-quality datasets for self-supervised pre-training. We posit that such datasets should be large, diverse and balanced, and propose a clustering-based approach for building ones satisfying all these criteria. Our method involves successive and hierarchical applications of k-means on a large and diverse data repository to obtain clusters that distribute uniformly among data concepts, followed by a hierarchical, balanced sampling step from these clusters. Extensive experiments on three different data domains including web-based images, satellite images and text show that features trained on our automatically curated datasets outperform those trained on uncurated data while being on par or better than ones trained on manually curated data.

The learning rate (LR) schedule is one of the most important hyper-parameters needing careful tuning in training DNNs. However, it is also one of the least automated parts of machine learning systems and usually costs significant manual effort and computing. Though there are pre-defined LR schedules and optimizers with adaptive LR, they introduce new hyperparameters that need to be tuned separately for different tasks/datasets. In this paper, we consider the question: Can we automatically tune the LR over the course of training without human involvement? We propose an efficient method, AutoLRS, which automatically optimizes the LR for each training stage by modeling training dynamics. AutoLRS aims to find an LR applied to every tau steps that minimizes the resulted validation loss. We solve this black-box optimization on the fly by Bayesian optimization (BO). However, collecting training instances for BO requires a system to evaluate each LR queried by BO's acquisition function for tau steps, which is prohibitively expensive in practice. Instead, we apply each candidate LR for only tau'lltau steps and train an exponential model to predict the validation loss after tau steps. This mutual-training process between BO and the loss-prediction model allows us to limit the training steps invested in the BO search. We demonstrate the advantages and the generality of AutoLRS through extensive experiments of training DNNs for tasks from diverse domains using different optimizers. The LR schedules auto-generated by AutoLRS lead to a speedup of 1.22times, 1.43times, and 1.5times when training ResNet-50, Transformer, and BERT, respectively, compared to the LR schedules in their original papers, and an average speedup of 1.31times over state-of-the-art heavily-tuned LR schedules.

Many technical approaches have been proposed for ensuring that decisions made by machine learning systems are fair, but few of these proposals have been stress-tested in real-world systems. This paper presents an example of one team's approach to the challenge of applying algorithmic fairness approaches to complex production systems within the context of a large technology company. We discuss how we disentangle normative questions of product and policy design (like, "how should the system trade off between different stakeholders' interests and needs?") from empirical questions of system implementation (like, "is the system achieving the desired tradeoff in practice?"). We also present an approach for answering questions of the latter sort, which allows us to measure how machine learning systems and human labelers are making these tradeoffs across different relevant groups. We hope our experience integrating fairness tools and approaches into large-scale and complex production systems will be useful to other practitioners facing similar challenges, and illuminating to academics and researchers looking to better address the needs of practitioners.

The increasing adoption of natural language processing (NLP) models across industries has led to practitioners' need for machine learning systems to handle these models efficiently, from training to serving them in production. However, training, deploying, and updating multiple models can be complex, costly, and time-consuming, mainly when using transformer-based pre-trained language models. Multi-Task Learning (MTL) has emerged as a promising approach to improve efficiency and performance through joint training, rather than training separate models. Motivated by this, we first provide an overview of transformer-based MTL approaches in NLP. Then, we discuss the challenges and opportunities of using MTL approaches throughout typical ML lifecycle phases, specifically focusing on the challenges related to data engineering, model development, deployment, and monitoring phases. This survey focuses on transformer-based MTL architectures and, to the best of our knowledge, is novel in that it systematically analyses how transformer-based MTL in NLP fits into ML lifecycle phases. Furthermore, we motivate research on the connection between MTL and continual learning (CL), as this area remains unexplored. We believe it would be practical to have a model that can handle both MTL and CL, as this would make it easier to periodically re-train the model, update it due to distribution shifts, and add new capabilities to meet real-world requirements.

Machine learning systems are often deployed in domains that entail data from multiple modalities, for example, phenotypic and genotypic characteristics describe patients in healthcare. Previous works have developed multimodal variational autoencoders (VAEs) that generate several modalities. We consider subjective data, where single datapoints from one modality (such as class labels) describe multiple datapoints from another modality (such as images). We theoretically and empirically demonstrate that multimodal VAEs with a mixture of experts posterior can struggle to capture variability in such surjective data.

Machine learning systems deployed in the wild are often trained on a source distribution but deployed on a different target distribution. Unlabeled data can be a powerful point of leverage for mitigating these distribution shifts, as it is frequently much more available than labeled data and can often be obtained from distributions beyond the source distribution as well. However, existing distribution shift benchmarks with unlabeled data do not reflect the breadth of scenarios that arise in real-world applications. In this work, we present the WILDS 2.0 update, which extends 8 of the 10 datasets in the WILDS benchmark of distribution shifts to include curated unlabeled data that would be realistically obtainable in deployment. These datasets span a wide range of applications (from histology to wildlife conservation), tasks (classification, regression, and detection), and modalities (photos, satellite images, microscope slides, text, molecular graphs). The update maintains consistency with the original WILDS benchmark by using identical labeled training, validation, and test sets, as well as the evaluation metrics. On these datasets, we systematically benchmark state-of-the-art methods that leverage unlabeled data, including domain-invariant, self-training, and self-supervised methods, and show that their success on WILDS is limited. To facilitate method development and evaluation, we provide an open-source package that automates data loading and contains all of the model architectures and methods used in this paper. Code and leaderboards are available at https://wilds.stanford.edu.

The need for Question Answering datasets in low resource languages is the motivation of this research, leading to the development of Kencorpus Swahili Question Answering Dataset, KenSwQuAD. This dataset is annotated from raw story texts of Swahili low resource language, which is a predominantly spoken in Eastern African and in other parts of the world. Question Answering (QA) datasets are important for machine comprehension of natural language for tasks such as internet search and dialog systems. Machine learning systems need training data such as the gold standard Question Answering set developed in this research. The research engaged annotators to formulate QA pairs from Swahili texts collected by the Kencorpus project, a Kenyan languages corpus. The project annotated 1,445 texts from the total 2,585 texts with at least 5 QA pairs each, resulting into a final dataset of 7,526 QA pairs. A quality assurance set of 12.5% of the annotated texts confirmed that the QA pairs were all correctly annotated. A proof of concept on applying the set to the QA task confirmed that the dataset can be usable for such tasks. KenSwQuAD has also contributed to resourcing of the Swahili language.

Machine learning systems often experience a distribution shift between training and testing. In this paper, we introduce a simple variational objective whose optima are exactly the set of all representations on which risk minimizers are guaranteed to be robust to any distribution shift that preserves the Bayes predictor, e.g., covariate shifts. Our objective has two components. First, a representation must remain discriminative for the task, i.e., some predictor must be able to simultaneously minimize the source and target risk. Second, the representation's marginal support needs to be the same across source and target. We make this practical by designing self-supervised objectives that only use unlabelled data and augmentations to train robust representations. Our objectives give insights into the robustness of CLIP, and further improve CLIP's representations to achieve SOTA results on DomainBed.

Machine learning systems typically assume that the distributions of training and test sets match closely. However, a critical requirement of such systems in the real world is their ability to generalize to unseen domains. Here, we propose an inter-domain gradient matching objective that targets domain generalization by maximizing the inner product between gradients from different domains. Since direct optimization of the gradient inner product can be computationally prohibitive -- requires computation of second-order derivatives -- we derive a simpler first-order algorithm named Fish that approximates its optimization. We demonstrate the efficacy of Fish on 6 datasets from the Wilds benchmark, which captures distribution shift across a diverse range of modalities. Our method produces competitive results on these datasets and surpasses all baselines on 4 of them. We perform experiments on both the Wilds benchmark, which captures distribution shift in the real world, as well as datasets in DomainBed benchmark that focuses more on synthetic-to-real transfer. Our method produces competitive results on both benchmarks, demonstrating its effectiveness across a wide range of domain generalization tasks.

The democratization of machine learning systems has made the process of fine-tuning accessible to practitioners, leading to a wide range of open-source models fine-tuned on specialized tasks and datasets. Recent work has proposed to merge such models to combine their functionalities. However, prior approaches are usually restricted to models that are fine-tuned from the same base model. Furthermore, the final merged model is typically required to be of the same size as the original models. In this work, we propose a new two-step algorithm to merge models -- termed PLeaS -- which relaxes these constraints. First, leveraging the Permutation symmetries inherent in the two models, PLeaS partially matches nodes in each layer by maximizing alignment. Next, PLeaS computes the weights of the merged model as a layer-wise Least Squares solution to minimize the approximation error between the features of the merged model and the permuted features of the original models. PLeaS allows a practitioner to merge two models sharing the same architecture into a single performant model of a desired size, even when the two original models are fine-tuned from different base models. We also demonstrate how our method can be extended to address a challenging scenario where no data is available from the fine-tuning domains. We demonstrate our method to merge ResNet and ViT models trained with shared and different label spaces, and show improvement over the state-of-the-art merging methods of up to 15 percentage points for the same target compute while merging models trained on DomainNet and fine-grained classification tasks. Our code is open-sourced at https://github.com/SewoongLab/PLeaS-Merging .

When deploying machine learning systems to the wild, it is highly desirable for them to effectively leverage prior knowledge to the unfamiliar domain while also firing alarms to anomalous inputs. In order to address these requirements, Universal Domain Adaptation (UniDA) has emerged as a novel research area in computer vision, focusing on achieving both adaptation ability and robustness (i.e., the ability to detect out-of-distribution samples). While UniDA has led significant progress in computer vision, its application on language input still needs to be explored despite its feasibility. In this paper, we propose a comprehensive benchmark for natural language that offers thorough viewpoints of the model's generalizability and robustness. Our benchmark encompasses multiple datasets with varying difficulty levels and characteristics, including temporal shifts and diverse domains. On top of our testbed, we validate existing UniDA methods from computer vision and state-of-the-art domain adaptation techniques from NLP literature, yielding valuable findings: We observe that UniDA methods originally designed for image input can be effectively transferred to the natural language domain while also underscoring the effect of adaptation difficulty in determining the model's performance.

Decision-based evasion attacks repeatedly query a black-box classifier to generate adversarial examples. Prior work measures the cost of such attacks by the total number of queries made to the classifier. We argue this metric is flawed. Most security-critical machine learning systems aim to weed out "bad" data (e.g., malware, harmful content, etc). Queries to such systems carry a fundamentally asymmetric cost: queries detected as "bad" come at a higher cost because they trigger additional security filters, e.g., usage throttling or account suspension. Yet, we find that existing decision-based attacks issue a large number of "bad" queries, which likely renders them ineffective against security-critical systems. We then design new attacks that reduce the number of bad queries by 1.5-7.3times, but often at a significant increase in total (non-bad) queries. We thus pose it as an open problem to build black-box attacks that are more effective under realistic cost metrics.

Mitigating bias in machine learning systems requires refining our understanding of bias propagation pathways: from societal structures to large-scale data to trained models to impact on society. In this work, we focus on one aspect of the problem, namely bias amplification: the tendency of models to amplify the biases present in the data they are trained on. A metric for measuring bias amplification was introduced in the seminal work by Zhao et al. (2017); however, as we demonstrate, this metric suffers from a number of shortcomings including conflating different types of bias amplification and failing to account for varying base rates of protected attributes. We introduce and analyze a new, decoupled metric for measuring bias amplification, BiasAmp_{rightarrow} (Directional Bias Amplification). We thoroughly analyze and discuss both the technical assumptions and normative implications of this metric. We provide suggestions about its measurement by cautioning against predicting sensitive attributes, encouraging the use of confidence intervals due to fluctuations in the fairness of models across runs, and discussing the limitations of what this metric captures. Throughout this paper, we work to provide an interrogative look at the technical measurement of bias amplification, guided by our normative ideas of what we want it to encompass. Code is located at https://github.com/princetonvisualai/directional-bias-amp

Retrieval pipelines-an integral component of many machine learning systems-perform poorly in domains where documents are long (e.g., 10K tokens or more) and where identifying the relevant document requires synthesizing information across the entire text. Developing long-context retrieval encoders suitable for these domains raises three challenges: (1) how to evaluate long-context retrieval performance, (2) how to pretrain a base language model to represent both short contexts (corresponding to queries) and long contexts (corresponding to documents), and (3) how to fine-tune this model for retrieval under the batch size limitations imposed by GPU memory constraints. To address these challenges, we first introduce LoCoV1, a novel 12 task benchmark constructed to measure long-context retrieval where chunking is not possible or not effective. We next present the M2-BERT retrieval encoder, an 80M parameter state-space encoder model built from the Monarch Mixer architecture, capable of scaling to documents up to 32K tokens long. We describe a pretraining data mixture which allows this encoder to process both short and long context sequences, and a finetuning approach that adapts this base model to retrieval with only single-sample batches. Finally, we validate the M2-BERT retrieval encoder on LoCoV1, finding that it outperforms competitive Transformer-based models by at least 23.3 points, despite containing upwards of 90x fewer parameters.

The traditional process of building interactive machine learning systems can be viewed as a teacher-learner interaction scenario where the machine-learners are trained by one or more human-teachers. In this work, we explore the idea of using a conversational interface to investigate the interaction between human-teachers and interactive machine-learners. Specifically, we examine whether teachable AI agents can reliably learn from human-teachers through conversational interactions, and how this learning compare with traditional supervised learning algorithms. Results validate the concept of teachable conversational agents and highlight the factors relevant for the development of machine learning systems that intend to learn from conversational interactions.

The DISL dataset features a collection of 514,506 unique Solidity files that have been deployed to Ethereum mainnet. It caters to the need for a large and diverse dataset of real-world smart contracts. DISL serves as a resource for developing machine learning systems and for benchmarking software engineering tools designed for smart contracts. By aggregating every verified smart contract from Etherscan up to January 15, 2024, DISL surpasses existing datasets in size and recency.

A key challenge of modern machine learning systems is to achieve Out-of-Distribution (OOD) generalization -- generalizing to target data whose distribution differs from that of source data. Despite its significant importance, the fundamental question of ``what are the most effective algorithms for OOD generalization'' remains open even under the standard setting of covariate shift. This paper addresses this fundamental question by proving that, surprisingly, classical Maximum Likelihood Estimation (MLE) purely using source data (without any modification) achieves the minimax optimality for covariate shift under the well-specified setting. That is, no algorithm performs better than MLE in this setting (up to a constant factor), justifying MLE is all you need. Our result holds for a very rich class of parametric models, and does not require any boundedness condition on the density ratio. We illustrate the wide applicability of our framework by instantiating it to three concrete examples -- linear regression, logistic regression, and phase retrieval. This paper further complement the study by proving that, under the misspecified setting, MLE is no longer the optimal choice, whereas Maximum Weighted Likelihood Estimator (MWLE) emerges as minimax optimal in certain scenarios.

The recent progress of AI can be largely attributed to large language models (LLMs). However, their escalating memory requirements introduce challenges for machine learning (ML) researchers and engineers. Addressing this requires developers to partition a large model to distribute it across multiple GPUs or TPUs. This necessitates considerable coding and intricate configuration efforts with existing model parallel tools, such as Megatron-LM, DeepSpeed, and Alpa. These tools require users' expertise in machine learning systems (MLSys), creating a bottleneck in LLM development, particularly for developers without MLSys background. In this work, we present Redco, a lightweight and user-friendly tool crafted to automate distributed training and inference for LLMs, as well as to simplify ML pipeline development. The design of Redco emphasizes two key aspects. Firstly, to automate model parallism, our study identifies two straightforward rules to generate tensor parallel strategies for any given LLM. Integrating these rules into Redco facilitates effortless distributed LLM training and inference, eliminating the need of additional coding or complex configurations. We demonstrate the effectiveness by applying Redco on a set of LLM architectures, such as GPT-J, LLaMA, T5, and OPT, up to the size of 66B. Secondly, we propose a mechanism that allows for the customization of diverse ML pipelines through the definition of merely three functions, eliminating redundant and formulaic code like multi-host related processing. This mechanism proves adaptable across a spectrum of ML algorithms, from foundational language modeling to complex algorithms like meta-learning and reinforcement learning. Consequently, Redco implementations exhibit much fewer code lines compared to their official counterparts.

We introduce FigureQA, a visual reasoning corpus of over one million question-answer pairs grounded in over 100,000 images. The images are synthetic, scientific-style figures from five classes: line plots, dot-line plots, vertical and horizontal bar graphs, and pie charts. We formulate our reasoning task by generating questions from 15 templates; questions concern various relationships between plot elements and examine characteristics like the maximum, the minimum, area-under-the-curve, smoothness, and intersection. To resolve, such questions often require reference to multiple plot elements and synthesis of information distributed spatially throughout a figure. To facilitate the training of machine learning systems, the corpus also includes side data that can be used to formulate auxiliary objectives. In particular, we provide the numerical data used to generate each figure as well as bounding-box annotations for all plot elements. We study the proposed visual reasoning task by training several models, including the recently proposed Relation Network as a strong baseline. Preliminary results indicate that the task poses a significant machine learning challenge. We envision FigureQA as a first step towards developing models that can intuitively recognize patterns from visual representations of data.

It is widely acknowledged that large models have the potential to deliver superior performance across a broad range of domains. Despite the remarkable progress made in the field of machine learning systems research, which has enabled the development and exploration of large models, such abilities remain confined to a small group of advanced users and industry leaders, resulting in an implicit technical barrier for the wider community to access and leverage these technologies. In this paper, we introduce PyTorch Fully Sharded Data Parallel (FSDP) as an industry-grade solution for large model training. FSDP has been closely co-designed with several key PyTorch core components including Tensor implementation, dispatcher system, and CUDA memory caching allocator, to provide non-intrusive user experiences and high training efficiency. Additionally, FSDP natively incorporates a range of techniques and settings to optimize resource utilization across a variety of hardware configurations. The experimental results demonstrate that FSDP is capable of achieving comparable performance to Distributed Data Parallel while providing support for significantly larger models with near-linear scalability in terms of TFLOPS.

Due to domain shift, machine learning systems typically fail to generalize well to domains different from those of training data, which is what domain generalization (DG) aims to address. Although various DG methods have been developed, most of them lack interpretability and require domain labels that are not available in many real-world scenarios. This paper presents a novel DG method, called HMOE: Hypernetwork-based Mixture of Experts (MoE), which does not rely on domain labels and is more interpretable. MoE proves effective in identifying heterogeneous patterns in data. For the DG problem, heterogeneity arises exactly from domain shift. HMOE uses hypernetworks taking vectors as input to generate experts' weights, which allows experts to share useful meta-knowledge and enables exploring experts' similarities in a low-dimensional vector space. We compare HMOE with other DG algorithms under a fair and unified benchmark-DomainBed. Our extensive experiments show that HMOE can divide mixed-domain data into distinct clusters that are surprisingly more consistent with human intuition than original domain labels. Compared to other DG methods, HMOE shows competitive performance and achieves SOTA results in some cases.

Out-of-distribution (OOD) detection is critical to building reliable machine learning systems in the open world. Researchers have proposed various strategies to reduce model overconfidence on OOD data. Among them, ReAct is a typical and effective technique to deal with model overconfidence, which truncates high activations to increase the gap between in-distribution and OOD. Despite its promising results, is this technique the best choice for widening the gap? To answer this question, we leverage the variational method to find the optimal operation and verify the necessity of suppressing abnormally low and high activations and amplifying intermediate activations in OOD detection, rather than focusing only on high activations like ReAct. This motivates us to propose a novel technique called ``Variational Rectified Activation (VRA)'', which simulates these suppression and amplification operations using piecewise functions. Experimental results on multiple benchmark datasets demonstrate that our method outperforms existing post-hoc strategies. Meanwhile, VRA is compatible with different scoring functions and network architectures. \textcolor[rgb]{0.93,0.0,0.47}{Our code can be found in Supplementary Material}.

Domain-specific data is the crux of the successful transfer of machine learning systems from benchmarks to real life. In simple problems such as image classification, crowdsourcing has become one of the standard tools for cheap and time-efficient data collection: thanks in large part to advances in research on aggregation methods. However, the applicability of crowdsourcing to more complex tasks (e.g., speech recognition) remains limited due to the lack of principled aggregation methods for these modalities. The main obstacle towards designing aggregation methods for more advanced applications is the absence of training data, and in this work, we focus on bridging this gap in speech recognition. For this, we collect and release CrowdSpeech -- the first publicly available large-scale dataset of crowdsourced audio transcriptions. Evaluation of existing and novel aggregation methods on our data shows room for improvement, suggesting that our work may entail the design of better algorithms. At a higher level, we also contribute to the more general challenge of developing the methodology for reliable data collection via crowdsourcing. In that, we design a principled pipeline for constructing datasets of crowdsourced audio transcriptions in any novel domain. We show its applicability on an under-resourced language by constructing VoxDIY -- a counterpart of CrowdSpeech for the Russian language. We also release the code that allows a full replication of our data collection pipeline and share various insights on best practices of data collection via crowdsourcing.

Many individuals are concerned about the governance of machine learning systems and the prevention of algorithmic harms. The EU's recent General Data Protection Regulation (GDPR) has been seen as a core tool for achieving better governance of this area. While the GDPR does apply to the use of models in some limited situations, most of its provisions relate to the governance of personal data, while models have traditionally been seen as intellectual property. We present recent work from the information security literature around `model inversion' and `membership inference' attacks, which indicate that the process of turning training data into machine learned systems is not one-way, and demonstrate how this could lead some models to be legally classified as personal data. Taking this as a probing experiment, we explore the different rights and obligations this would trigger and their utility, and posit future directions for algorithmic governance and regulation.

Diagnosing and cleaning data is a crucial step for building robust machine learning systems. However, identifying problems within large-scale datasets with real-world distributions is challenging due to the presence of complex issues such as label errors, under-representation, and outliers. In this paper, we propose a unified approach for identifying the problematic data by utilizing a largely ignored source of information: a relational structure of data in the feature-embedded space. To this end, we present scalable and effective algorithms for detecting label errors and outlier data based on the relational graph structure of data. We further introduce a visualization tool that provides contextual information of a data point in the feature-embedded space, serving as an effective tool for interactively diagnosing data. We evaluate the label error and outlier/out-of-distribution (OOD) detection performances of our approach on the large-scale image, speech, and language domain tasks, including ImageNet, ESC-50, and SST2. Our approach achieves state-of-the-art detection performance on all tasks considered and demonstrates its effectiveness in debugging large-scale real-world datasets across various domains. We release codes at https://github.com/snu-mllab/Neural-Relation-Graph.

Interpretability is an important area of research for safe deployment of machine learning systems. One particular type of interpretability method attributes model decisions to input features. Despite active development, quantitative evaluation of feature attribution methods remains difficult due to the lack of ground truth: we do not know which input features are in fact important to a model. In this work, we propose a framework for Benchmarking Attribution Methods (BAM) with a priori knowledge of relative feature importance. BAM includes 1) a carefully crafted dataset and models trained with known relative feature importance and 2) three complementary metrics to quantitatively evaluate attribution methods by comparing feature attributions between pairs of models and pairs of inputs. Our evaluation on several widely-used attribution methods suggests that certain methods are more likely to produce false positive explanations---features that are incorrectly attributed as more important to model prediction. We open source our dataset, models, and metrics.

It is important to detect anomalous inputs when deploying machine learning systems. The use of larger and more complex inputs in deep learning magnifies the difficulty of distinguishing between anomalous and in-distribution examples. At the same time, diverse image and text data are available in enormous quantities. We propose leveraging these data to improve deep anomaly detection by training anomaly detectors against an auxiliary dataset of outliers, an approach we call Outlier Exposure (OE). This enables anomaly detectors to generalize and detect unseen anomalies. In extensive experiments on natural language processing and small- and large-scale vision tasks, we find that Outlier Exposure significantly improves detection performance. We also observe that cutting-edge generative models trained on CIFAR-10 may assign higher likelihoods to SVHN images than to CIFAR-10 images; we use OE to mitigate this issue. We also analyze the flexibility and robustness of Outlier Exposure, and identify characteristics of the auxiliary dataset that improve performance.

Detecting out-of-distribution (OOD) samples is crucial for ensuring the safety of machine learning systems and has shaped the field of OOD detection. Meanwhile, several other problems are closely related to OOD detection, including anomaly detection (AD), novelty detection (ND), open set recognition (OSR), and outlier detection (OD). To unify these problems, a generalized OOD detection framework was proposed, taxonomically categorizing these five problems. However, Vision Language Models (VLMs) such as CLIP have significantly changed the paradigm and blurred the boundaries between these fields, again confusing researchers. In this survey, we first present a generalized OOD detection v2, encapsulating the evolution of AD, ND, OSR, OOD detection, and OD in the VLM era. Our framework reveals that, with some field inactivity and integration, the demanding challenges have become OOD detection and AD. In addition, we also highlight the significant shift in the definition, problem settings, and benchmarks; we thus feature a comprehensive review of the methodology for OOD detection, including the discussion over other related tasks to clarify their relationship to OOD detection. Finally, we explore the advancements in the emerging Large Vision Language Model (LVLM) era, such as GPT-4V. We conclude this survey with open challenges and future directions.

Vector search has emerged as the foundation for large-scale information retrieval and machine learning systems, with search engines like Google and Bing processing tens of thousands of queries per second on petabyte-scale document datasets by evaluating vector similarities between encoded query texts and web documents. As performance demands for vector search systems surge, accelerated hardware offers a promising solution in the post-Moore's Law era. We introduce FANNS, an end-to-end and scalable vector search framework on FPGAs. Given a user-provided recall requirement on a dataset and a hardware resource budget, FANNS automatically co-designs hardware and algorithm, subsequently generating the corresponding accelerator. The framework also supports scale-out by incorporating a hardware TCP/IP stack in the accelerator. FANNS attains up to 23.0times and 37.2times speedup compared to FPGA and CPU baselines, respectively, and demonstrates superior scalability to GPUs, achieving 5.5times and 7.6times speedup in median and 95th percentile (P95) latency within an eight-accelerator configuration. The remarkable performance of FANNS lays a robust groundwork for future FPGA integration in data centers and AI supercomputers.

Recognizing the prevalence of domain shift as a common challenge in machine learning, various domain generalization (DG) techniques have been developed to enhance the performance of machine learning systems when dealing with out-of-distribution (OOD) data. Furthermore, in real-world scenarios, data distributions can gradually change across a sequence of sequential domains. While current methodologies primarily focus on improving model effectiveness within these new domains, they often overlook fairness issues throughout the learning process. In response, we introduce an innovative framework called Counterfactual Fairness-Aware Domain Generalization with Sequential Autoencoder (CDSAE). This approach effectively separates environmental information and sensitive attributes from the embedded representation of classification features. This concurrent separation not only greatly improves model generalization across diverse and unfamiliar domains but also effectively addresses challenges related to unfair classification. Our strategy is rooted in the principles of causal inference to tackle these dual issues. To examine the intricate relationship between semantic information, sensitive attributes, and environmental cues, we systematically categorize exogenous uncertainty factors into four latent variables: 1) semantic information influenced by sensitive attributes, 2) semantic information unaffected by sensitive attributes, 3) environmental cues influenced by sensitive attributes, and 4) environmental cues unaffected by sensitive attributes. By incorporating fairness regularization, we exclusively employ semantic information for classification purposes. Empirical validation on synthetic and real-world datasets substantiates the effectiveness of our approach, demonstrating improved accuracy levels while ensuring the preservation of fairness in the evolving landscape of continuous domains.

The distributed representation of symbols is one of the key technologies in machine learning systems today, playing a pivotal role in modern natural language processing. Traditional word embeddings associate a separate vector with each word. While this approach is simple and leads to good performance, it requires a lot of memory for representing a large vocabulary. To reduce the memory footprint, the default embedding layer in spaCy is a hash embeddings layer. It is a stochastic approximation of traditional embeddings that provides unique vectors for a large number of words without explicitly storing a separate vector for each of them. To be able to compute meaningful representations for both known and unknown words, hash embeddings represent each word as a summary of the normalized word form, subword information and word shape. Together, these features produce a multi-embedding of a word. In this technical report we lay out a bit of history and introduce the embedding methods in spaCy in detail. Second, we critically evaluate the hash embedding architecture with multi-embeddings on Named Entity Recognition datasets from a variety of domains and languages. The experiments validate most key design choices behind spaCy's embedders, but we also uncover a few surprising results.

Variational inequalities have recently attracted considerable interest in machine learning as a flexible paradigm for models that go beyond ordinary loss function minimization (such as generative adversarial networks and related deep learning systems). In this setting, the optimal O(1/t) convergence rate for solving smooth monotone variational inequalities is achieved by the Extra-Gradient (EG) algorithm and its variants. Aiming to alleviate the cost of an extra gradient step per iteration (which can become quite substantial in deep learning applications), several algorithms have been proposed as surrogates to Extra-Gradient with a single oracle call per iteration. In this paper, we develop a synthetic view of such algorithms, and we complement the existing literature by showing that they retain a O(1/t) ergodic convergence rate in smooth, deterministic problems. Subsequently, beyond the monotone deterministic case, we also show that the last iterate of single-call, stochastic extra-gradient methods still enjoys a O(1/t) local convergence rate to solutions of non-monotone variational inequalities that satisfy a second-order sufficient condition.

Accurate uncertainty measurement is a key step to building robust and reliable machine learning systems. Conformal prediction is a distribution-free uncertainty quantification algorithm popular for its ease of implementation, statistical coverage guarantees, and versatility for underlying forecasters. However, existing conformal prediction algorithms for time series are limited to single-step prediction without considering the temporal dependency. In this paper, we propose a Copula Conformal Prediction algorithm for multivariate, multi-step Time Series forecasting, CopulaCPTS. We prove that CopulaCPTS has finite sample validity guarantee. On several synthetic and real-world multivariate time series datasets, we show that CopulaCPTS produces more calibrated and sharp confidence intervals for multi-step prediction tasks than existing techniques.

Rapid progress in machine learning and artificial intelligence (AI) has brought increasing attention to the potential impacts of AI technologies on society. In this paper we discuss one such potential impact: the problem of accidents in machine learning systems, defined as unintended and harmful behavior that may emerge from poor design of real-world AI systems. We present a list of five practical research problems related to accident risk, categorized according to whether the problem originates from having the wrong objective function ("avoiding side effects" and "avoiding reward hacking"), an objective function that is too expensive to evaluate frequently ("scalable supervision"), or undesirable behavior during the learning process ("safe exploration" and "distributional shift"). We review previous work in these areas as well as suggesting research directions with a focus on relevance to cutting-edge AI systems. Finally, we consider the high-level question of how to think most productively about the safety of forward-looking applications of AI.

Fine-tuning large pre-trained models has become the de facto strategy for developing both task-specific and general-purpose machine learning systems, including developing models that are safe to deploy. Despite its clear importance, there has been minimal work that explains how fine-tuning alters the underlying capabilities learned by a model during pretraining: does fine-tuning yield entirely novel capabilities or does it just modulate existing ones? We address this question empirically in synthetic, controlled settings where we can use mechanistic interpretability tools (e.g., network pruning and probing) to understand how the model's underlying capabilities are changing. We perform an extensive analysis of the effects of fine-tuning in these settings, and show that: (i) fine-tuning rarely alters the underlying model capabilities; (ii) a minimal transformation, which we call a 'wrapper', is typically learned on top of the underlying model capabilities, creating the illusion that they have been modified; and (iii) further fine-tuning on a task where such hidden capabilities are relevant leads to sample-efficient 'revival' of the capability, i.e., the model begins reusing these capability after only a few gradient steps. This indicates that practitioners can unintentionally remove a model's safety wrapper merely by fine-tuning it on a, e.g., superficially unrelated, downstream task. We additionally perform analysis on language models trained on the TinyStories dataset to support our claims in a more realistic setup.

Classical models of memory in psychology and neuroscience rely on similarity-based retrieval of stored patterns, where similarity is a function of retrieval cues and the stored patterns. While parsimonious, these models do not allow distinct representations for storage and retrieval, despite their distinct computational demands. Key-value memory systems, in contrast, distinguish representations used for storage (values) and those used for retrieval (keys). This allows key-value memory systems to optimize simultaneously for fidelity in storage and discriminability in retrieval. We review the computational foundations of key-value memory, its role in modern machine learning systems, related ideas from psychology and neuroscience, applications to a number of empirical puzzles, and possible biological implementations.

In this paper, we present InferES - an original corpus for Natural Language Inference (NLI) in European Spanish. We propose, implement, and analyze a variety of corpus-creating strategies utilizing expert linguists and crowd workers. The objectives behind InferES are to provide high-quality data, and, at the same time to facilitate the systematic evaluation of automated systems. Specifically, we focus on measuring and improving the performance of machine learning systems on negation-based adversarial examples and their ability to generalize across out-of-distribution topics. We train two transformer models on InferES (8,055 gold examples) in a variety of scenarios. Our best model obtains 72.8% accuracy, leaving a lot of room for improvement. The "hypothesis-only" baseline performs only 2%-5% higher than majority, indicating much fewer annotation artifacts than prior work. We find that models trained on InferES generalize very well across topics (both in- and out-of-distribution) and perform moderately well on negation-based adversarial examples.

Artificial Intelligence (AI) is a broad field that is upturning mental health care in many ways, from addressing anxiety, depression, and stress to increasing access, personalization of treatment, and real-time monitoring that enhances patient outcomes. The current paper discusses the evolution, present application, and future challenges in the field of AI for mental health and well-being. From the early chatbot models, such as ELIZA, to modern machine learning systems, the integration of AI in mental health has grown rapidly to augment traditional treatment and open innovative solutions. AI-driven tools provide continuous support, offering personalized interventions and addressing issues such as treatment access and patient stigma. AI also enables early diagnosis through the analysis of complex datasets, including speech patterns and social media behavior, to detect early signs of conditions like depression and Post-Traumatic Stress Disorder (PTSD). Ethical challenges persist, however, most notably around privacy, data security, and algorithmic bias. With AI at the core of mental health care, there is a dire need to develop strong ethical frameworks that ensure patient rights are protected, access is equitable, and transparency is maintained in AI applications. Going forward, the role of AI in mental health will continue to evolve, and continued research and policy development will be needed to meet the diverse needs of patients while mitigating associated risks.

The African continent lacks enough qualified teachers which hampers the provision of adequate learning support. An AI could potentially augment the efforts of the limited number of teachers, leading to better learning outcomes. Towards that end, this work describes and evaluates the first key output for the NSMQ AI Grand Challenge, which proposes a robust, real-world benchmark for such an AI: "Build an AI to compete live in Ghana's National Science and Maths Quiz (NSMQ) competition and win - performing better than the best contestants in all rounds and stages of the competition". The NSMQ is an annual live science and mathematics competition for senior secondary school students in Ghana in which 3 teams of 2 students compete by answering questions across biology, chemistry, physics, and math in 5 rounds over 5 progressive stages until a winning team is crowned for that year. In this work, we built Brilla AI, an AI contestant that we deployed to unofficially compete remotely and live in the Riddles round of the 2023 NSMQ Grand Finale, the first of its kind in the 30-year history of the competition. Brilla AI is currently available as a web app that livestreams the Riddles round of the contest, and runs 4 machine learning systems: (1) speech to text (2) question extraction (3) question answering and (4) text to speech that work together in real-time to quickly and accurately provide an answer, and then say it with a Ghanaian accent. In its debut, our AI answered one of the 4 riddles ahead of the 3 human contesting teams, unofficially placing second (tied). Improvements and extensions of this AI could potentially be deployed to offer science tutoring to students and eventually enable millions across Africa to have one-on-one learning interactions, democratizing science education.

The "Information Retrieval in Software Engineering (IRSE)" at FIRE 2023 shared task introduces code comment classification, a challenging task that pairs a code snippet with a comment that should be evaluated as either useful or not useful to the understanding of the relevant code. We answer the code comment classification shared task challenge by providing a two-fold evaluation: from an algorithmic perspective, we compare the performance of classical machine learning systems and complement our evaluations from a data-driven perspective by generating additional data with the help of large language model (LLM) prompting to measure the potential increase in performance. Our best model, which took second place in the shared task, is a Neural Network with a Macro-F1 score of 88.401% on the provided seed data and a 1.5% overall increase in performance on the data generated by the LLM.

In this paper, we present Toloka Visual Question Answering, a new crowdsourced dataset allowing comparing performance of machine learning systems against human level of expertise in the grounding visual question answering task. In this task, given an image and a textual question, one has to draw the bounding box around the object correctly responding to that question. Every image-question pair contains the response, with only one correct response per image. Our dataset contains 45,199 pairs of images and questions in English, provided with ground truth bounding boxes, split into train and two test subsets. Besides describing the dataset and releasing it under a CC BY license, we conducted a series of experiments on open source zero-shot baseline models and organized a multi-phase competition at WSDM Cup that attracted 48 participants worldwide. However, by the time of paper submission, no machine learning model outperformed the non-expert crowdsourcing baseline according to the intersection over union evaluation score.

Changing how pre-trained models behave -- e.g., improving their performance on a downstream task or mitigating biases learned during pre-training -- is a common practice when developing machine learning systems. In this work, we propose a new paradigm for steering the behavior of neural networks, centered around task vectors. A task vector specifies a direction in the weight space of a pre-trained model, such that movement in that direction improves performance on the task. We build task vectors by subtracting the weights of a pre-trained model from the weights of the same model after fine-tuning on a task. We show that these task vectors can be modified and combined together through arithmetic operations such as negation and addition, and the behavior of the resulting model is steered accordingly. Negating a task vector decreases performance on the target task, with little change in model behavior on control tasks. Moreover, adding task vectors together can improve performance on multiple tasks at once. Finally, when tasks are linked by an analogy relationship of the form ``A is to B as C is to D", combining task vectors from three of the tasks can improve performance on the fourth, even when no data from the fourth task is used for training. Overall, our experiments with several models, modalities and tasks show that task arithmetic is a simple, efficient and effective way of editing models.

One of the most striking findings in modern research on large language models (LLMs) is that scaling up compute during training leads to better results. However, less attention has been given to the benefits of scaling compute during inference. This survey focuses on these inference-time approaches. We explore three areas under a unified mathematical formalism: token-level generation algorithms, meta-generation algorithms, and efficient generation. Token-level generation algorithms, often called decoding algorithms, operate by sampling a single token at a time or constructing a token-level search space and then selecting an output. These methods typically assume access to a language model's logits, next-token distributions, or probability scores. Meta-generation algorithms work on partial or full sequences, incorporating domain knowledge, enabling backtracking, and integrating external information. Efficient generation methods aim to reduce token costs and improve the speed of generation. Our survey unifies perspectives from three research communities: traditional natural language processing, modern LLMs, and machine learning systems.

Fairness, especially group fairness, is an important consideration in the context of machine learning systems. The most commonly adopted group fairness-enhancing techniques are in-processing methods that rely on a mixture of a fairness objective (e.g., demographic parity) and a task-specific objective (e.g., cross-entropy) during the training process. However, when data arrives in an online fashion -- one instance at a time -- optimizing such fairness objectives poses several challenges. In particular, group fairness objectives are defined using expectations of predictions across different demographic groups. In the online setting, where the algorithm has access to a single instance at a time, estimating the group fairness objective requires additional storage and significantly more computation (e.g., forward/backward passes) than the task-specific objective at every time step. In this paper, we propose Aranyani, an ensemble of oblique decision trees, to make fair decisions in online settings. The hierarchical tree structure of Aranyani enables parameter isolation and allows us to efficiently compute the fairness gradients using aggregate statistics of previous decisions, eliminating the need for additional storage and forward/backward passes. We also present an efficient framework to train Aranyani and theoretically analyze several of its properties. We conduct empirical evaluations on 5 publicly available benchmarks (including vision and language datasets) to show that Aranyani achieves a better accuracy-fairness trade-off compared to baseline approaches.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

As machine learning (ML) systems increasingly impact critical sectors such as hiring, financial risk assessments, and criminal justice, the imperative to ensure fairness has intensified due to potential negative implications. While much ML fairness research has focused on enhancing training data and processes, addressing the outputs of already deployed systems has received less attention. This paper introduces 'BiasGuard', a novel approach designed to act as a fairness guardrail in production ML systems. BiasGuard leverages Test-Time Augmentation (TTA) powered by Conditional Generative Adversarial Network (CTGAN), a cutting-edge generative AI model, to synthesize data samples conditioned on inverted protected attribute values, thereby promoting equitable outcomes across diverse groups. This method aims to provide equal opportunities for both privileged and unprivileged groups while significantly enhancing the fairness metrics of deployed systems without the need for retraining. Our comprehensive experimental analysis across diverse datasets reveals that BiasGuard enhances fairness by 31% while only reducing accuracy by 0.09% compared to non-mitigated benchmarks. Additionally, BiasGuard outperforms existing post-processing methods in improving fairness, positioning it as an effective tool to safeguard against biases when retraining the model is impractical.

Automated Machine Learning (AutoML) systems have been shown to efficiently build good models for new datasets. However, it is often not clear how well they can adapt when the data evolves over time. The main goal of this study is to understand the effect of data stream challenges such as concept drift on the performance of AutoML methods, and which adaptation strategies can be employed to make them more robust. To that end, we propose 6 concept drift adaptation strategies and evaluate their effectiveness on different AutoML approaches. We do this for a variety of AutoML approaches for building machine learning pipelines, including those that leverage Bayesian optimization, genetic programming, and random search with automated stacking. These are evaluated empirically on real-world and synthetic data streams with different types of concept drift. Based on this analysis, we propose ways to develop more sophisticated and robust AutoML techniques.

Machine learning plays a role in many deployed decision systems, often in ways that are difficult or impossible to understand by human stakeholders. Explaining, in a human-understandable way, the relationship between the input and output of machine learning models is essential to the development of trustworthy machine learning based systems. A burgeoning body of research seeks to define the goals and methods of explainability in machine learning. In this paper, we seek to review and categorize research on counterfactual explanations, a specific class of explanation that provides a link between what could have happened had input to a model been changed in a particular way. Modern approaches to counterfactual explainability in machine learning draw connections to the established legal doctrine in many countries, making them appealing to fielded systems in high-impact areas such as finance and healthcare. Thus, we design a rubric with desirable properties of counterfactual explanation algorithms and comprehensively evaluate all currently proposed algorithms against that rubric. Our rubric provides easy comparison and comprehension of the advantages and disadvantages of different approaches and serves as an introduction to major research themes in this field. We also identify gaps and discuss promising research directions in the space of counterfactual explainability.

Most machine learning (ML) systems assume stationary and matching data distributions during training and deployment. This is often a false assumption. When ML models are deployed on real devices, data distributions often shift over time due to changes in environmental factors, sensor characteristics, and task-of-interest. While it is possible to have a human-in-the-loop to monitor for distribution shifts and engineer new architectures in response to these shifts, such a setup is not cost-effective. Instead, non-stationary automated ML (AutoML) models are needed. This paper presents the Encoder-Adaptor-Reconfigurator (EAR) framework for efficient continual learning under domain shifts. The EAR framework uses a fixed deep neural network (DNN) feature encoder and trains shallow networks on top of the encoder to handle novel data. The EAR framework is capable of 1) detecting when new data is out-of-distribution (OOD) by combining DNNs with hyperdimensional computing (HDC), 2) identifying low-parameter neural adaptors to adapt the model to the OOD data using zero-shot neural architecture search (ZS-NAS), and 3) minimizing catastrophic forgetting on previous tasks by progressively growing the neural architecture as needed and dynamically routing data through the appropriate adaptors and reconfigurators for handling domain-incremental and class-incremental continual learning. We systematically evaluate our approach on several benchmark datasets for domain adaptation and demonstrate strong performance compared to state-of-the-art algorithms for OOD detection and few-/zero-shot NAS.

Federated Learning (FL) systems are gaining popularity as a solution to training Machine Learning (ML) models from large-scale user data collected on personal devices (e.g., smartphones) without their raw data leaving the device. At the core of FL is a network of anonymous user devices sharing training information (model parameter updates) computed locally on personal data. However, the type and degree to which user-specific information is encoded in the model updates is poorly understood. In this paper, we identify model updates encode subtle variations in which users capture and generate data. The variations provide a strong statistical signal, allowing an adversary to effectively deanonymize participating devices using a limited set of auxiliary data. We analyze resulting deanonymization attacks on diverse tasks on real-world (anonymized) user-generated data across a range of closed- and open-world scenarios. We study various strategies to mitigate the risks of deanonymization. As random perturbation methods do not offer convincing operating points, we propose data-augmentation strategies which introduces adversarial biases in device data and thereby, offer substantial protection against deanonymization threats with little effect on utility.

Forecasts of future events are essential inputs into informed decision-making. Machine learning (ML) systems have the potential to deliver forecasts at scale, but there is no framework for evaluating the accuracy of ML systems on a standardized set of forecasting questions. To address this gap, we introduce ForecastBench: a dynamic benchmark that evaluates the accuracy of ML systems on an automatically generated and regularly updated set of 1,000 forecasting questions. To avoid any possibility of data leakage, ForecastBench is comprised solely of questions about future events that have no known answer at the time of submission. We quantify the capabilities of current ML systems by collecting forecasts from expert (human) forecasters, the general public, and LLMs on a random subset of questions from the benchmark (N=200). While LLMs have achieved super-human performance on many benchmarks, they perform less well here: expert forecasters outperform the top-performing LLM (p-value <0.001). We display system and human scores in a public leaderboard at www.forecastbench.org.

Machine learning (ML) systems are rapidly increasing in size, are acquiring new capabilities, and are increasingly deployed in high-stakes settings. As with other powerful technologies, safety for ML should be a leading research priority. In response to emerging safety challenges in ML, such as those introduced by recent large-scale models, we provide a new roadmap for ML Safety and refine the technical problems that the field needs to address. We present four problems ready for research, namely withstanding hazards ("Robustness"), identifying hazards ("Monitoring"), reducing inherent model hazards ("Alignment"), and reducing systemic hazards ("Systemic Safety"). Throughout, we clarify each problem's motivation and provide concrete research directions.

Automated machine learning (AutoML) systems commonly ensemble models post hoc to improve predictive performance, typically via greedy ensemble selection (GES). However, we believe that GES may not always be optimal, as it performs a simple deterministic greedy search. In this work, we introduce two novel population-based ensemble selection methods, QO-ES and QDO-ES, and compare them to GES. While QO-ES optimises solely for predictive performance, QDO-ES also considers the diversity of ensembles within the population, maintaining a diverse set of well-performing ensembles during optimisation based on ideas of quality diversity optimisation. The methods are evaluated using 71 classification datasets from the AutoML benchmark, demonstrating that QO-ES and QDO-ES often outrank GES, albeit only statistically significant on validation data. Our results further suggest that diversity can be beneficial for post hoc ensembling but also increases the risk of overfitting.

Modern machine learning (ML) systems demand substantial training data, often resorting to external sources. Nevertheless, this practice renders them vulnerable to backdoor poisoning attacks. Prior backdoor defense strategies have primarily focused on the identification of backdoored models or poisoned data characteristics, typically operating under the assumption of access to clean data. In this work, we delve into a relatively underexplored challenge: the automatic identification of backdoor data within a poisoned dataset, all under realistic conditions, i.e., without the need for additional clean data or without manually defining a threshold for backdoor detection. We draw an inspiration from the scaled prediction consistency (SPC) technique, which exploits the prediction invariance of poisoned data to an input scaling factor. Based on this, we pose the backdoor data identification problem as a hierarchical data splitting optimization problem, leveraging a novel SPC-based loss function as the primary optimization objective. Our innovation unfolds in several key aspects. First, we revisit the vanilla SPC method, unveiling its limitations in addressing the proposed backdoor identification problem. Subsequently, we develop a bi-level optimization-based approach to precisely identify backdoor data by minimizing the advanced SPC loss. Finally, we demonstrate the efficacy of our proposal against a spectrum of backdoor attacks, encompassing basic label-corrupted attacks as well as more sophisticated clean-label attacks, evaluated across various benchmark datasets. Experiment results show that our approach often surpasses the performance of current baselines in identifying backdoor data points, resulting in about 4%-36% improvement in average AUROC. Codes are available at https://github.com/OPTML-Group/BackdoorMSPC.

The rise of machine learning (ML) systems has exacerbated their carbon footprint due to increased capabilities and model sizes. However, there is scarce knowledge on how the carbon footprint of ML models is actually measured, reported, and evaluated. In light of this, the paper aims to analyze the measurement of the carbon footprint of 1,417 ML models and associated datasets on Hugging Face, which is the most popular repository for pretrained ML models. The goal is to provide insights and recommendations on how to report and optimize the carbon efficiency of ML models. The study includes the first repository mining study on the Hugging Face Hub API on carbon emissions. This study seeks to answer two research questions: (1) how do ML model creators measure and report carbon emissions on Hugging Face Hub?, and (2) what aspects impact the carbon emissions of training ML models? The study yielded several key findings. These include a stalled proportion of carbon emissions-reporting models, a slight decrease in reported carbon footprint on Hugging Face over the past 2 years, and a continued dominance of NLP as the main application domain. Furthermore, the study uncovers correlations between carbon emissions and various attributes such as model size, dataset size, and ML application domains. These results highlight the need for software measurements to improve energy reporting practices and promote carbon-efficient model development within the Hugging Face community. In response to this issue, two classifications are proposed: one for categorizing models based on their carbon emission reporting practices and another for their carbon efficiency. The aim of these classification proposals is to foster transparency and sustainable model development within the ML community.

Reliable out-of-distribution (OOD) detection is fundamental to implementing safer modern machine learning (ML) systems. In this paper, we introduce Igeood, an effective method for detecting OOD samples. Igeood applies to any pre-trained neural network, works under various degrees of access to the ML model, does not require OOD samples or assumptions on the OOD data but can also benefit (if available) from OOD samples. By building on the geodesic (Fisher-Rao) distance between the underlying data distributions, our discriminator can combine confidence scores from the logits outputs and the learned features of a deep neural network. Empirically, we show that Igeood outperforms competing state-of-the-art methods on a variety of network architectures and datasets.

Distribution shifts -- where the training distribution differs from the test distribution -- can substantially degrade the accuracy of machine learning (ML) systems deployed in the wild. Despite their ubiquity in the real-world deployments, these distribution shifts are under-represented in the datasets widely used in the ML community today. To address this gap, we present WILDS, a curated benchmark of 10 datasets reflecting a diverse range of distribution shifts that naturally arise in real-world applications, such as shifts across hospitals for tumor identification; across camera traps for wildlife monitoring; and across time and location in satellite imaging and poverty mapping. On each dataset, we show that standard training yields substantially lower out-of-distribution than in-distribution performance. This gap remains even with models trained by existing methods for tackling distribution shifts, underscoring the need for new methods for training models that are more robust to the types of distribution shifts that arise in practice. To facilitate method development, we provide an open-source package that automates dataset loading, contains default model architectures and hyperparameters, and standardizes evaluations. Code and leaderboards are available at https://wilds.stanford.edu.

Large Language Models (LLMs) are consistently improving at increasingly realistic software engineering (SE) tasks. In real-world software stacks, significant SE effort is spent developing foundational system software like the Linux kernel. Unlike application-level software, a systems codebase like Linux is multilingual (low-level C/Assembly/Bash/Rust); gigantic (>20 million lines); critical (impacting billions of devices worldwide), and highly concurrent (involving complex multi-threading). To evaluate if ML models are useful while developing such large-scale systems-level software, we introduce kGym (a platform) and kBench (a dataset). The kGym platform provides a SE environment for large-scale experiments on the Linux kernel, including compiling and running kernels in parallel across several virtual machines, detecting operations and crashes, inspecting logs, and querying and patching the code base. We use kGym to facilitate evaluation on kBench, a crash resolution benchmark drawn from real-world Linux kernel bugs. An example bug in kBench contains crashing stack traces, a bug-reproducer file, a developer-written fix, and other associated data. To understand current performance, we conduct baseline experiments by prompting LLMs to resolve Linux kernel crashes. Our initial evaluations reveal that the best performing LLM achieves 0.72% and 5.38% in the unassisted and assisted (i.e., buggy files disclosed to the model) settings, respectively. These results highlight the need for further research to enhance model performance in SE tasks. Improving performance on kBench requires models to master new learning skills, including understanding the cause of crashes and repairing faults, writing memory-safe and hardware-aware code, and understanding concurrency. As a result, this work opens up multiple avenues of research at the intersection of machine learning and systems software.

This paper presents a comprehensive study on stock price prediction, leveragingadvanced machine learning (ML) and deep learning (DL) techniques to improve financial forecasting accuracy. The research evaluates the performance of various recurrent neural network (RNN) architectures, including Long Short-Term Memory (LSTM) networks, Gated Recurrent Units (GRU), and attention-based models. These models are assessed for their ability to capture complex temporal dependencies inherent in stock market data. Our findings show that attention-based models outperform other architectures, achieving the highest accuracy by capturing both short and long-term dependencies. This study contributes valuable insights into AI-driven financial forecasting, offering practical guidance for developing more accurate and efficient trading systems.

Machine learning methods can be a valuable aid in the scientific process, but they need to face challenging settings where data come from inhomogeneous experimental conditions. Recent meta-learning methods have made significant progress in multi-task learning, but they rely on black-box neural networks, resulting in high computational costs and limited interpretability. Leveraging the structure of the learning problem, we argue that multi-environment generalization can be achieved using a simpler learning model, with an affine structure with respect to the learning task. Crucially, we prove that this architecture can identify the physical parameters of the system, enabling interpreable learning. We demonstrate the competitive generalization performance and the low computational cost of our method by comparing it to state-of-the-art algorithms on physical systems, ranging from toy models to complex, non-analytical systems. The interpretability of our method is illustrated with original applications to physical-parameter-induced adaptation and to adaptive control.

Machine learning is playing an increasingly significant role in emerging mobile application domains such as AR/VR, ADAS, etc. Accordingly, hardware architects have designed customized hardware for machine learning algorithms, especially neural networks, to improve compute efficiency. However, machine learning is typically just one processing stage in complex end-to-end applications, involving multiple components in a mobile Systems-on-a-chip (SoC). Focusing only on ML accelerators loses bigger optimization opportunity at the system (SoC) level. This paper argues that hardware architects should expand the optimization scope to the entire SoC. We demonstrate one particular case-study in the domain of continuous computer vision where camera sensor, image signal processor (ISP), memory, and NN accelerator are synergistically co-designed to achieve optimal system-level efficiency.

Decentralised Machine Learning (DML) enables collaborative machine learning without centralised input data. Federated Learning (FL) and Edge Inference are examples of DML. While tools for DML (especially FL) are starting to flourish, many are not flexible and portable enough to experiment with novel processors (e.g., RISC-V), non-fully connected network topologies, and asynchronous collaboration schemes. We overcome these limitations via a domain-specific language allowing us to map DML schemes to an underlying middleware, i.e. the FastFlow parallel programming library. We experiment with it by generating different working DML schemes on x86-64 and ARM platforms and an emerging RISC-V one. We characterise the performance and energy efficiency of the presented schemes and systems. As a byproduct, we introduce a RISC-V porting of the PyTorch framework, the first publicly available to our knowledge.

Machine learning and data mining algorithms play important roles in designing intrusion detection systems. Based on their approaches toward the detection of attacks in a network, intrusion detection systems can be broadly categorized into two types. In the misuse detection systems, an attack in a system is detected whenever the sequence of activities in the network matches with a known attack signature. In the anomaly detection approach, on the other hand, anomalous states in a system are identified based on a significant difference in the state transitions of the system from its normal states. This chapter presents a comprehensive discussion on some of the existing schemes of intrusion detection based on misuse detection, anomaly detection and hybrid detection approaches. Some future directions of research in the design of algorithms for intrusion detection are also identified.

Our research aims to develop machines that learn to perceive visual motion as do humans. While recent advances in computer vision (CV) have enabled DNN-based models to accurately estimate optical flow in naturalistic images, a significant disparity remains between CV models and the biological visual system in both architecture and behavior. This disparity includes humans' ability to perceive the motion of higher-order image features (second-order motion), which many CV models fail to capture because of their reliance on the intensity conservation law. Our model architecture mimics the cortical V1-MT motion processing pathway, utilizing a trainable motion energy sensor bank and a recurrent graph network. Supervised learning employing diverse naturalistic videos allows the model to replicate psychophysical and physiological findings about first-order (luminance-based) motion perception. For second-order motion, inspired by neuroscientific findings, the model includes an additional sensing pathway with nonlinear preprocessing before motion energy sensing, implemented using a simple multilayer 3D CNN block. When exploring how the brain acquired the ability to perceive second-order motion in natural environments, in which pure second-order signals are rare, we hypothesized that second-order mechanisms were critical when estimating robust object motion amidst optical fluctuations, such as highlights on glossy surfaces. We trained our dual-pathway model on novel motion datasets with varying material properties of moving objects. We found that training to estimate object motion from non-Lambertian materials naturally endowed the model with the capacity to perceive second-order motion, as can humans. The resulting model effectively aligns with biological systems while generalizing to both first- and second-order motion phenomena in natural scenes.

Machine learning potentials (MLPs) trained on accurate quantum chemical data can retain the high accuracy, while inflicting little computational demands. On the downside, they need to be trained for each individual system. In recent years, a vast number of MLPs has been trained from scratch because learning additional data typically requires to train again on all data to not forget previously acquired knowledge. Additionally, most common structural descriptors of MLPs cannot represent efficiently a large number of different chemical elements. In this work, we tackle these problems by introducing element-embracing atom-centered symmetry functions (eeACSFs) which combine structural properties and element information from the periodic table. These eeACSFs are a key for our development of a lifelong machine learning potential (lMLP). Uncertainty quantification can be exploited to transgress a fixed, pre-trained MLP to arrive at a continuously adapting lMLP, because a predefined level of accuracy can be ensured. To extend the applicability of an lMLP to new systems, we apply continual learning strategies to enable autonomous and on-the-fly training on a continuous stream of new data. For the training of deep neural networks, we propose the continual resilient (CoRe) optimizer and incremental learning strategies relying on rehearsal of data, regularization of parameters, and the architecture of the model.

Rapid advancements in artificial intelligence (AI) technology have brought about a plethora of new challenges in terms of governance and regulation. AI systems are being integrated into various industries and sectors, creating a demand from decision-makers to possess a comprehensive and nuanced understanding of the capabilities and limitations of these systems. One critical aspect of this demand is the ability to explain the results of machine learning models, which is crucial to promoting transparency and trust in AI systems, as well as fundamental in helping machine learning models to be trained ethically. In this paper, we present novel metrics to quantify the degree of which AI model predictions can be easily explainable by its features. Our metrics summarize different aspects of explainability into scalars, providing a more comprehensive understanding of model predictions and facilitating communication between decision-makers and stakeholders, thereby increasing the overall transparency and accountability of AI systems.

Benchmark datasets have a significant impact on accelerating research in programming language tasks. In this paper, we introduce CodeXGLUE, a benchmark dataset to foster machine learning research for program understanding and generation. CodeXGLUE includes a collection of 10 tasks across 14 datasets and a platform for model evaluation and comparison. CodeXGLUE also features three baseline systems, including the BERT-style, GPT-style, and Encoder-Decoder models, to make it easy for researchers to use the platform. The availability of such data and baselines can help the development and validation of new methods that can be applied to various program understanding and generation problems.

One of the most common causes of lack of continuity of online systems stems from a widely popular Cyber Attack known as Distributed Denial of Service (DDoS), in which a network of infected devices (botnet) gets exploited to flood the computational capacity of services through the commands of an attacker. This attack is made by leveraging the Domain Name System (DNS) technology through Domain Generation Algorithms (DGAs), a stealthy connection strategy that yet leaves suspicious data patterns. To detect such threats, advances in their analysis have been made. For the majority, they found Machine Learning (ML) as a solution, which can be highly effective in analyzing and classifying massive amounts of data. Although strongly performing, ML models have a certain degree of obscurity in their decision-making process. To cope with this problem, a branch of ML known as Explainable ML tries to break down the black-box nature of classifiers and make them interpretable and human-readable. This work addresses the problem of Explainable ML in the context of botnet and DGA detection, which at the best of our knowledge, is the first to concretely break down the decisions of ML classifiers when devised for botnet/DGA detection, therefore providing global and local explanations.

The emergence of new nanoscale technologies has imposed significant challenges to designing reliable electronic systems in radiation environments. A few types of radiation like Total Ionizing Dose (TID) effects often cause permanent damages on such nanoscale electronic devices, and current state-of-the-art technologies to tackle TID make use of expensive radiation-hardened devices. This paper focuses on a novel and different approach: using machine learning algorithms on consumer electronic level Field Programmable Gate Arrays (FPGAs) to tackle TID effects and monitor them to replace before they stop working. This condition has a research challenge to anticipate when the board results in a total failure due to TID effects. We observed internal measurements of the FPGA boards under gamma radiation and used three different anomaly detection machine learning (ML) algorithms to detect anomalies in the sensor measurements in a gamma-radiated environment. The statistical results show a highly significant relationship between the gamma radiation exposure levels and the board measurements. Moreover, our anomaly detection results have shown that a One-Class Support Vector Machine with Radial Basis Function Kernel has an average Recall score of 0.95. Also, all anomalies can be detected before the boards stop working.

This paper proposes a novel framework to predict traffic flows' bandwidth ahead of time. Modern network management systems share a common issue: the network situation evolves between the moment the decision is made and the moment when actions (countermeasures) are applied. This framework converts packets from real-life traffic into flows containing relevant features. Machine learning models, including Decision Tree, Random Forest, XGBoost, and Deep Neural Network, are trained on these data to predict the bandwidth at the next time instance for every flow. Predictions can be fed to the management system instead of current flows bandwidth in order to take decisions on a more accurate network state. Experiments were performed on 981,774 flows and 15 different time windows (from 0.03s to 4s). They show that the Random Forest is the best performing and most reliable model, with a predictive performance consistently better than relying on the current bandwidth (+19.73% in mean absolute error and +18.00% in root mean square error). Experimental results indicate that this framework can help network management systems to take more informed decisions using a predicted network state.

Recent advances in Tiny Machine Learning (TinyML) empower low-footprint embedded devices for real-time on-device Machine Learning. While many acknowledge the potential benefits of TinyML, its practical implementation presents unique challenges. This study aims to bridge the gap between prototyping single TinyML models and developing reliable TinyML systems in production: (1) Embedded devices operate in dynamically changing conditions. Existing TinyML solutions primarily focus on inference, with models trained offline on powerful machines and deployed as static objects. However, static models may underperform in the real world due to evolving input data distributions. We propose online learning to enable training on constrained devices, adapting local models towards the latest field conditions. (2) Nevertheless, current on-device learning methods struggle with heterogeneous deployment conditions and the scarcity of labeled data when applied across numerous devices. We introduce federated meta-learning incorporating online learning to enhance model generalization, facilitating rapid learning. This approach ensures optimal performance among distributed devices by knowledge sharing. (3) Moreover, TinyML's pivotal advantage is widespread adoption. Embedded devices and TinyML models prioritize extreme efficiency, leading to diverse characteristics ranging from memory and sensors to model architectures. Given their diversity and non-standardized representations, managing these resources becomes challenging as TinyML systems scale up. We present semantic management for the joint management of models and devices at scale. We demonstrate our methods through a basic regression example and then assess them in three real-world TinyML applications: handwritten character image classification, keyword audio classification, and smart building presence detection, confirming our approaches' effectiveness.

Understanding the loss landscape is an important problem in machine learning. One key feature of the loss function, common to many neural network architectures, is the presence of exponentially many low lying local minima. Physical systems with similar energy landscapes may provide useful insights. In this work, we point out that black holes naturally give rise to such landscapes, owing to the existence of black hole entropy. For definiteness, we consider 1/8 BPS black holes in N = 8 string theory. These provide an infinite family of potential landscapes arising in the microscopic descriptions of corresponding black holes. The counting of minima amounts to black hole microstate counting. Moreover, the exact numbers of the minima for these landscapes are a priori known from dualities in string theory. Some of the minima are connected by paths of low loss values, resembling mode connectivity. We estimate the number of runs needed to find all the solutions. Initial explorations suggest that Stochastic Gradient Descent can find a significant fraction of the minima.

In this paper, we present a general scheme for building reproducible and extensible datasets for website phishing detection. The aim is to (1) enable comparison of systems using different features, (2) overtake the short-lived nature of phishing websites, and (3) keep track of the evolution of phishing tactics. For experimenting the proposed scheme, we start by adopting a refined classification of website phishing features and we systematically select a total of 87 commonly recognized ones, we classify them, and we made them subjects for relevance and runtime analysis. We use the collected set of features to build a dataset in light of the proposed scheme. Thereafter, we use a conceptual replication approach to check the genericity of former findings for the built dataset. Specifically, we evaluate the performance of classifiers on individual classes and on combinations of classes, we investigate different combinations of models, and we explore the effects of filter and wrapper methods on the selection of discriminative features. The results show that Random Forest is the most predictive classifier. Features gathered from external services are found the most discriminative where features extracted from web page contents are found less distinguishing. Besides external service based features, some web page content features are found time consuming and not suitable for runtime detection. The use of hybrid features provided the best accuracy score of 96.61%. By investigating different feature selection methods, filter-based ranking together with incremental removal of less important features improved the performance up to 96.83% better than wrapper methods.

With the widespread use of AI systems and applications in our everyday lives, it is important to take fairness issues into consideration while designing and engineering these types of systems. Such systems can be used in many sensitive environments to make important and life-changing decisions; thus, it is crucial to ensure that the decisions do not reflect discriminatory behavior toward certain groups or populations. We have recently seen work in machine learning, natural language processing, and deep learning that addresses such challenges in different subdomains. With the commercialization of these systems, researchers are becoming aware of the biases that these applications can contain and have attempted to address them. In this survey we investigated different real-world applications that have shown biases in various ways, and we listed different sources of biases that can affect AI applications. We then created a taxonomy for fairness definitions that machine learning researchers have defined in order to avoid the existing bias in AI systems. In addition to that, we examined different domains and subdomains in AI showing what researchers have observed with regard to unfair outcomes in the state-of-the-art methods and how they have tried to address them. There are still many future directions and solutions that can be taken to mitigate the problem of bias in AI systems. We are hoping that this survey will motivate researchers to tackle these issues in the near future by observing existing work in their respective fields.

Semiconductor lasers, one of the key components for optical communication systems, have been rapidly evolving to meet the requirements of next generation optical networks with respect to high speed, low power consumption, small form factor etc. However, these demands have brought severe challenges to the semiconductor laser reliability. Therefore, a great deal of attention has been devoted to improving it and thereby ensuring reliable transmission. In this paper, a predictive maintenance framework using machine learning techniques is proposed for real-time heath monitoring and prognosis of semiconductor laser and thus enhancing its reliability. The proposed approach is composed of three stages: i) real-time performance degradation prediction, ii) degradation detection, and iii) remaining useful life (RUL) prediction. First of all, an attention based gated recurrent unit (GRU) model is adopted for real-time prediction of performance degradation. Then, a convolutional autoencoder is used to detect the degradation or abnormal behavior of a laser, given the predicted degradation performance values. Once an abnormal state is detected, a RUL prediction model based on attention-based deep learning is utilized. Afterwards, the estimated RUL is input for decision making and maintenance planning. The proposed framework is validated using experimental data derived from accelerated aging tests conducted for semiconductor tunable lasers. The proposed approach achieves a very good degradation performance prediction capability with a small root mean square error (RMSE) of 0.01, a good anomaly detection accuracy of 94.24% and a better RUL estimation capability compared to the existing ML-based laser RUL prediction models.

Artificial intelligence (AI), and especially its sub-field of Machine Learning (ML), are impacting the daily lives of everyone with their ubiquitous applications. In recent years, AI researchers and practitioners have introduced principles and guidelines to build systems that make reliable and trustworthy decisions. From a practical perspective, conventional ML systems process historical data to extract the features that are consequently used to train ML models that perform the desired task. However, in practice, a fundamental challenge arises when the system needs to be operationalized and deployed to evolve and operate in real-life environments continuously. To address this challenge, Machine Learning Operations (MLOps) have emerged as a potential recipe for standardizing ML solutions in deployment. Although MLOps demonstrated great success in streamlining ML processes, thoroughly defining the specifications of robust MLOps approaches remains of great interest to researchers and practitioners. In this paper, we provide a comprehensive overview of the trustworthiness property of MLOps systems. Specifically, we highlight technical practices to achieve robust MLOps systems. In addition, we survey the existing research approaches that address the robustness aspects of ML systems in production. We also review the tools and software available to build MLOps systems and summarize their support to handle the robustness aspects. Finally, we present the open challenges and propose possible future directions and opportunities within this emerging field. The aim of this paper is to provide researchers and practitioners working on practical AI applications with a comprehensive view to adopt robust ML solutions in production environments.

Background: Human Emotion Recognition (HER) has been a popular field of study in the past years. Despite the great progresses made so far, relatively little attention has been paid to the use of HER in autism. People with autism are known to face problems with daily social communication and the prototypical interpretation of emotional responses, which are most frequently exerted via facial expressions. This poses significant practical challenges to the application of regular HER systems, which are normally developed for and by neurotypical people. Objective: This study reviews the literature on the use of HER systems in autism, particularly with respect to sensing technologies and machine learning methods, as to identify existing barriers and possible future directions. Methods: We conducted a systematic review of articles published between January 2011 and June 2023 according to the 2020 PRISMA guidelines. Manuscripts were identified through searching Web of Science and Scopus databases. Manuscripts were included when related to emotion recognition, used sensors and machine learning techniques, and involved children with autism, young, or adults. Results: The search yielded 346 articles. A total of 65 publications met the eligibility criteria and were included in the review. Conclusions: Studies predominantly used facial expression techniques as the emotion recognition method. Consequently, video cameras were the most widely used devices across studies, although a growing trend in the use of physiological sensors was observed lately. Happiness, sadness, anger, fear, disgust, and surprise were most frequently addressed. Classical supervised machine learning techniques were primarily used at the expense of unsupervised approaches or more recent deep learning models.

Machine Learning (ML) models are increasingly used to make critical decisions in real-world applications, yet they have become more complex, making them harder to understand. To this end, researchers have proposed several techniques to explain model predictions. However, practitioners struggle to use these explainability techniques because they often do not know which one to choose and how to interpret the results of the explanations. In this work, we address these challenges by introducing TalkToModel: an interactive dialogue system for explaining machine learning models through conversations. Specifically, TalkToModel comprises of three key components: 1) a natural language interface for engaging in conversations, making ML model explainability highly accessible, 2) a dialogue engine that adapts to any tabular model and dataset, interprets natural language, maps it to appropriate explanations, and generates text responses, and 3) an execution component that constructs the explanations. We carried out extensive quantitative and human subject evaluations of TalkToModel. Overall, we found the conversational system understands user inputs on novel datasets and models with high accuracy, demonstrating the system's capacity to generalize to new situations. In real-world evaluations with humans, 73% of healthcare workers (e.g., doctors and nurses) agreed they would use TalkToModel over baseline point-and-click systems for explainability in a disease prediction task, and 85% of ML professionals agreed TalkToModel was easier to use for computing explanations. Our findings demonstrate that TalkToModel is more effective for model explainability than existing systems, introducing a new category of explainability tools for practitioners. Code & demo released here: https://github.com/dylan-slack/TalkToModel.

Interpretability in machine learning (ML) is crucial for high stakes decisions and troubleshooting. In this work, we provide fundamental principles for interpretable ML, and dispel common misunderstandings that dilute the importance of this crucial topic. We also identify 10 technical challenge areas in interpretable machine learning and provide history and background on each problem. Some of these problems are classically important, and some are recent problems that have arisen in the last few years. These problems are: (1) Optimizing sparse logical models such as decision trees; (2) Optimization of scoring systems; (3) Placing constraints into generalized additive models to encourage sparsity and better interpretability; (4) Modern case-based reasoning, including neural networks and matching for causal inference; (5) Complete supervised disentanglement of neural networks; (6) Complete or even partial unsupervised disentanglement of neural networks; (7) Dimensionality reduction for data visualization; (8) Machine learning models that can incorporate physics and other generative or causal constraints; (9) Characterization of the "Rashomon set" of good models; and (10) Interpretable reinforcement learning. This survey is suitable as a starting point for statisticians and computer scientists interested in working in interpretable machine learning.

A long-term goal of machine learning is to build intelligent conversational agents. One recent popular approach is to train end-to-end models on a large amount of real dialog transcripts between humans (Sordoni et al., 2015; Vinyals & Le, 2015; Shang et al., 2015). However, this approach leaves many questions unanswered as an understanding of the precise successes and shortcomings of each model is hard to assess. A contrasting recent proposal are the bAbI tasks (Weston et al., 2015b) which are synthetic data that measure the ability of learning machines at various reasoning tasks over toy language. Unfortunately, those tests are very small and hence may encourage methods that do not scale. In this work, we propose a suite of new tasks of a much larger scale that attempt to bridge the gap between the two regimes. Choosing the domain of movies, we provide tasks that test the ability of models to answer factual questions (utilizing OMDB), provide personalization (utilizing MovieLens), carry short conversations about the two, and finally to perform on natural dialogs from Reddit. We provide a dataset covering 75k movie entities and with 3.5M training examples. We present results of various models on these tasks, and evaluate their performance.

Image classification, a pivotal task in multiple industries, faces computational challenges due to the burgeoning volume of visual data. This research addresses these challenges by introducing two quantum machine learning models that leverage the principles of quantum mechanics for effective computations. Our first model, a hybrid quantum neural network with parallel quantum circuits, enables the execution of computations even in the noisy intermediate-scale quantum era, where circuits with a large number of qubits are currently infeasible. This model demonstrated a record-breaking classification accuracy of 99.21% on the full MNIST dataset, surpassing the performance of known quantum-classical models, while having eight times fewer parameters than its classical counterpart. Also, the results of testing this hybrid model on a Medical MNIST (classification accuracy over 99%), and on CIFAR-10 (classification accuracy over 82%), can serve as evidence of the generalizability of the model and highlights the efficiency of quantum layers in distinguishing common features of input data. Our second model introduces a hybrid quantum neural network with a Quanvolutional layer, reducing image resolution via a convolution process. The model matches the performance of its classical counterpart, having four times fewer trainable parameters, and outperforms a classical model with equal weight parameters. These models represent advancements in quantum machine learning research and illuminate the path towards more accurate image classification systems.

Machine Learning Force Fields (MLFFs) are a promising alternative to expensive ab initio quantum mechanical molecular simulations. Given the diversity of chemical spaces that are of interest and the cost of generating new data, it is important to understand how MLFFs generalize beyond their training distributions. In order to characterize and better understand distribution shifts in MLFFs, we conduct diagnostic experiments on chemical datasets, revealing common shifts that pose significant challenges, even for large foundation models trained on extensive data. Based on these observations, we hypothesize that current supervised training methods inadequately regularize MLFFs, resulting in overfitting and learning poor representations of out-of-distribution systems. We then propose two new methods as initial steps for mitigating distribution shifts for MLFFs. Our methods focus on test-time refinement strategies that incur minimal computational cost and do not use expensive ab initio reference labels. The first strategy, based on spectral graph theory, modifies the edges of test graphs to align with graph structures seen during training. Our second strategy improves representations for out-of-distribution systems at test-time by taking gradient steps using an auxiliary objective, such as a cheap physical prior. Our test-time refinement strategies significantly reduce errors on out-of-distribution systems, suggesting that MLFFs are capable of and can move towards modeling diverse chemical spaces, but are not being effectively trained to do so. Our experiments establish clear benchmarks for evaluating the generalization capabilities of the next generation of MLFFs. Our code is available at https://tkreiman.github.io/projects/mlff_distribution_shifts/.

Weather forecasting traditionally relies on numerical weather prediction (NWP) systems that integrates global observational systems, data assimilation (DA), and forecasting models. Despite steady improvements in forecast accuracy over recent decades, further advances are increasingly constrained by high computational costs, the underutilization of vast observational datasets, and the challenges of obtaining finer resolution. These limitations, alongside the uneven distribution of observational networks, result in global disparities in forecast accuracy, leaving some regions vulnerable to extreme weather. Recent advances in machine learning present a promising alternative, providing more efficient and accurate forecasts using the same initial conditions as NWP. However, current machine learning models still depend on the initial conditions generated by NWP systems, which require extensive computational resources and expertise. Here we introduce FuXi Weather, a machine learning weather forecasting system that assimilates data from multiple satellites. Operating on a 6-hourly DA and forecast cycle, FuXi Weather generates reliable and accurate 10-day global weather forecasts at a spatial resolution of 0.25^circ. FuXi Weather is the first system to achieve all-grid, all-surface, all-channel, and all-sky DA and forecasting, extending skillful forecast lead times beyond those of the European Centre for Medium-range Weather Forecasts (ECMWF) high-resolution forecasts (HRES) while using significantly fewer observations. FuXi Weather consistently outperforms ECMWF HRES in observation-sparse regions, such as central Africa, demonstrating its potential to improve forecasts where observational infrastructure is limited.

Cellular form and function emerge from complex mechanochemical systems within the cytoplasm. No systematic strategy currently exists to infer large-scale physical properties of a cell from its many molecular components. This is a significant obstacle to understanding biophysical processes such as cell adhesion and migration. Here, we develop a data-driven biophysical modeling approach to learn the mechanical behavior of adherent cells. We first train neural networks to predict forces generated by adherent cells from images of cytoskeletal proteins. Strikingly, experimental images of a single focal adhesion protein, such as zyxin, are sufficient to predict forces and generalize to unseen biological regimes. This protein field alone contains enough information to yield accurate predictions even if forces themselves are generated by many interacting proteins. We next develop two approaches - one explicitly constrained by physics, the other more agnostic - that help construct data-driven continuum models of cellular forces using this single focal adhesion field. Both strategies consistently reveal that cellular forces are encoded by two different length scales in adhesion protein distributions. Beyond adherent cell mechanics, our work serves as a case study for how to integrate neural networks in the construction of predictive phenomenological models in cell biology, even when little knowledge of the underlying microscopic mechanisms exist.

In the realm of robot action recognition, identifying distinct but spatially proximate arm movements using vision systems in noisy environments poses a significant challenge. This paper studies robot arm action recognition in noisy environments using machine learning techniques. Specifically, a vision system is used to track the robot's movements followed by a deep learning model to extract the arm's key points. Through a comparative analysis of machine learning methods, the effectiveness and robustness of this model are assessed in noisy environments. A case study was conducted using the Tic-Tac-Toe game in a 3-by-3 grid environment, where the focus is to accurately identify the actions of the arms in selecting specific locations within this constrained environment. Experimental results show that our approach can achieve precise key point detection and action classification despite the addition of noise and uncertainties to the dataset.

Currently, most machine learning models are trained by centralized teams and are rarely updated. In contrast, open-source software development involves the iterative development of a shared artifact through distributed collaboration using a version control system. In the interest of enabling collaborative and continual improvement of machine learning models, we introduce Git-Theta, a version control system for machine learning models. Git-Theta is an extension to Git, the most widely used version control software, that allows fine-grained tracking of changes to model parameters alongside code and other artifacts. Unlike existing version control systems that treat a model checkpoint as a blob of data, Git-Theta leverages the structure of checkpoints to support communication-efficient updates, automatic model merges, and meaningful reporting about the difference between two versions of a model. In addition, Git-Theta includes a plug-in system that enables users to easily add support for new functionality. In this paper, we introduce Git-Theta's design and features and include an example use-case of Git-Theta where a pre-trained model is continually adapted and modified. We publicly release Git-Theta in hopes of kickstarting a new era of collaborative model development.

Real-time multi-task multi-model (MTMM) workloads, a new form of deep learning inference workloads, are emerging for applications areas like extended reality (XR) to support metaverse use cases. These workloads combine user interactivity with computationally complex machine learning (ML) activities. Compared to standard ML applications, these ML workloads present unique difficulties and constraints. Real-time MTMM workloads impose heterogeneity and concurrency requirements on future ML systems and devices, necessitating the development of new capabilities. This paper begins with a discussion of the various characteristics of these real-time MTMM ML workloads and presents an ontology for evaluating the performance of future ML hardware for XR systems. Next, we present XRBENCH, a collection of MTMM ML tasks, models, and usage scenarios that execute these models in three representative ways: cascaded, concurrent, and cascaded-concurrent for XR use cases. Finally, we emphasize the need for new metrics that capture the requirements properly. We hope that our work will stimulate research and lead to the development of a new generation of ML systems for XR use cases. XRBench is available as an open-source project: https://github.com/XRBench

The growing capability and accessibility of machine learning has led to its application to many real-world domains and data about people. Despite the benefits algorithmic systems may bring, models can reflect, inject, or exacerbate implicit and explicit societal biases into their outputs, disadvantaging certain demographic subgroups. Discovering which biases a machine learning model has introduced is a great challenge, due to the numerous definitions of fairness and the large number of potentially impacted subgroups. We present FairVis, a mixed-initiative visual analytics system that integrates a novel subgroup discovery technique for users to audit the fairness of machine learning models. Through FairVis, users can apply domain knowledge to generate and investigate known subgroups, and explore suggested and similar subgroups. FairVis' coordinated views enable users to explore a high-level overview of subgroup performance and subsequently drill down into detailed investigation of specific subgroups. We show how FairVis helps to discover biases in two real datasets used in predicting income and recidivism. As a visual analytics system devoted to discovering bias in machine learning, FairVis demonstrates how interactive visualization may help data scientists and the general public understand and create more equitable algorithmic systems.

There has recently been a surge of work in explanatory artificial intelligence (XAI). This research area tackles the important problem that complex machines and algorithms often cannot provide insights into their behavior and thought processes. XAI allows users and parts of the internal system to be more transparent, providing explanations of their decisions in some level of detail. These explanations are important to ensure algorithmic fairness, identify potential bias/problems in the training data, and to ensure that the algorithms perform as expected. However, explanations produced by these systems is neither standardized nor systematically assessed. In an effort to create best practices and identify open challenges, we provide our definition of explainability and show how it can be used to classify existing literature. We discuss why current approaches to explanatory methods especially for deep neural networks are insufficient. Finally, based on our survey, we conclude with suggested future research directions for explanatory artificial intelligence.

Despite incredible recent advances in machine learning, building machine learning applications remains prohibitively time-consuming and expensive for all but the best-trained, best-funded engineering organizations. This expense comes not from a need for new and improved statistical models but instead from a lack of systems and tools for supporting end-to-end machine learning application development, from data preparation and labeling to productionization and monitoring. In this document, we outline opportunities for infrastructure supporting usable, end-to-end machine learning applications in the context of the nascent DAWN (Data Analytics for What's Next) project at Stanford.

Ensuring the security and reliability of machine learning frameworks is crucial for building trustworthy AI-based systems. Fuzzing, a popular technique in secure software development lifecycle (SSDLC), can be used to develop secure and robust software. Popular machine learning frameworks such as PyTorch and TensorFlow are complex and written in multiple programming languages including C/C++ and Python. We propose a dynamic analysis pipeline for Python projects using the Sydr-Fuzz toolset. Our pipeline includes fuzzing, corpus minimization, crash triaging, and coverage collection. Crash triaging and severity estimation are important steps to ensure that the most critical vulnerabilities are addressed promptly. Furthermore, the proposed pipeline is integrated in GitLab CI. To identify the most vulnerable parts of the machine learning frameworks, we analyze their potential attack surfaces and develop fuzz targets for PyTorch, TensorFlow, and related projects such as h5py. Applying our dynamic analysis pipeline to these targets, we were able to discover 3 new bugs and propose fixes for them.

Machine learning techniques are essential tools to compute efficient, yet accurate, force fields for atomistic simulations. This approach has recently been extended to incorporate quantum computational methods, making use of variational quantum learning models to predict potential energy surfaces and atomic forces from ab initio training data. However, the trainability and scalability of such models are still limited, due to both theoretical and practical barriers. Inspired by recent developments in geometric classical and quantum machine learning, here we design quantum neural networks that explicitly incorporate, as a data-inspired prior, an extensive set of physically relevant symmetries. We find that our invariant quantum learning models outperform their more generic counterparts on individual molecules of growing complexity. Furthermore, we study a water dimer as a minimal example of a system with multiple components, showcasing the versatility of our proposed approach and opening the way towards larger simulations. Our results suggest that molecular force fields generation can significantly profit from leveraging the framework of geometric quantum machine learning, and that chemical systems represent, in fact, an interesting and rich playground for the development and application of advanced quantum machine learning tools.

Cloud Computing (CC) is revolutionizing the way IT resources are delivered to users, allowing them to access and manage their systems with increased cost-effectiveness and simplified infrastructure. However, with the growth of CC comes a host of security risks, including threats to availability, integrity, and confidentiality. To address these challenges, Machine Learning (ML) is increasingly being used by Cloud Service Providers (CSPs) to reduce the need for human intervention in identifying and resolving security issues. With the ability to analyze vast amounts of data, and make high-accuracy predictions, ML can transform the way CSPs approach security. In this paper, we will explore some of the most recent research in the field of ML-based security in Cloud Computing. We will examine the features and effectiveness of a range of ML algorithms, highlighting their unique strengths and potential limitations. Our goal is to provide a comprehensive overview of the current state of ML in cloud security and to shed light on the exciting possibilities that this emerging field has to offer.

The increasing frequency of catastrophic natural events, such as wildfires, calls for the development of rapid and automated wildfire detection systems. In this paper, we propose a wildfire identification solution to improve the accuracy of automated satellite-based hotspot detection systems by leveraging multiple information sources. We cross-reference the thermal anomalies detected by the Moderate-resolution Imaging Spectroradiometer (MODIS) and the Visible Infrared Imaging Radiometer Suite (VIIRS) hotspot services with the European Forest Fire Information System (EFFIS) database to construct a large-scale hotspot dataset for wildfire-related studies in Europe. Then, we propose a novel multimodal supervised machine learning approach to disambiguate hotspot detections, distinguishing between wildfires and other events. Our methodology includes the use of multimodal data sources, such as the ERSI annual Land Use Land Cover (LULC) and the Copernicus Sentinel-3 data. Experimental results demonstrate the effectiveness of our approach in the task of wildfire identification.

TensorFlow is a machine learning system that operates at large scale and in heterogeneous environments. TensorFlow uses dataflow graphs to represent computation, shared state, and the operations that mutate that state. It maps the nodes of a dataflow graph across many machines in a cluster, and within a machine across multiple computational devices, including multicore CPUs, general-purpose GPUs, and custom designed ASICs known as Tensor Processing Units (TPUs). This architecture gives flexibility to the application developer: whereas in previous "parameter server" designs the management of shared state is built into the system, TensorFlow enables developers to experiment with novel optimizations and training algorithms. TensorFlow supports a variety of applications, with particularly strong support for training and inference on deep neural networks. Several Google services use TensorFlow in production, we have released it as an open-source project, and it has become widely used for machine learning research. In this paper, we describe the TensorFlow dataflow model in contrast to existing systems, and demonstrate the compelling performance that TensorFlow achieves for several real-world applications.

Fuzz testing is a fundamental technique employed to identify vulnerabilities within software systems. However, the process can be protracted and resource-intensive, especially when confronted with extensive codebases. In this work, I present FuzzDistill, an approach that harnesses compile-time data and machine learning to refine fuzzing targets. By analyzing compile-time information, such as function call graphs' features, loop information, and memory operations, FuzzDistill identifies high-priority areas of the codebase that are more probable to contain vulnerabilities. I demonstrate the efficacy of my approach through experiments conducted on real-world software, demonstrating substantial reductions in testing time.

Binary code is pervasive, and binary analysis is a key task in reverse engineering, malware classification, and vulnerability discovery. Unfortunately, while there exist large corpuses of malicious binaries, obtaining high-quality corpuses of benign binaries for modern systems has proven challenging (e.g., due to licensing issues). Consequently, machine learning based pipelines for binary analysis utilize either costly commercial corpuses (e.g., VirusTotal) or open-source binaries (e.g., coreutils) available in limited quantities. To address these issues, we present Assemblage: an extensible cloud-based distributed system that crawls, configures, and builds Windows PE binaries to obtain high-quality binary corpuses suitable for training state-of-the-art models in binary analysis. We have run Assemblage on AWS over the past year, producing 890k Windows PE and 428k Linux ELF binaries across 29 configurations. Assemblage is designed to be both reproducible and extensible, enabling users to publish "recipes" for their datasets, and facilitating the extraction of a wide array of features. We evaluated Assemblage by using its data to train modern learning-based pipelines for compiler provenance and binary function similarity. Our results illustrate the practical need for robust corpuses of high-quality Windows PE binaries in training modern learning-based binary analyses. Assemblage can be downloaded from https://assemblage-dataset.net

InterpretML is an open-source Python package which exposes machine learning interpretability algorithms to practitioners and researchers. InterpretML exposes two types of interpretability - glassbox models, which are machine learning models designed for interpretability (ex: linear models, rule lists, generalized additive models), and blackbox explainability techniques for explaining existing systems (ex: Partial Dependence, LIME). The package enables practitioners to easily compare interpretability algorithms by exposing multiple methods under a unified API, and by having a built-in, extensible visualization platform. InterpretML also includes the first implementation of the Explainable Boosting Machine, a powerful, interpretable, glassbox model that can be as accurate as many blackbox models. The MIT licensed source code can be downloaded from github.com/microsoft/interpret.

The enduring legacy of Euclidean geometry underpins classical machine learning, which, for decades, has been primarily developed for data lying in Euclidean space. Yet, modern machine learning increasingly encounters richly structured data that is inherently nonEuclidean. This data can exhibit intricate geometric, topological and algebraic structure: from the geometry of the curvature of space-time, to topologically complex interactions between neurons in the brain, to the algebraic transformations describing symmetries of physical systems. Extracting knowledge from such non-Euclidean data necessitates a broader mathematical perspective. Echoing the 19th-century revolutions that gave rise to non-Euclidean geometry, an emerging line of research is redefining modern machine learning with non-Euclidean structures. Its goal: generalizing classical methods to unconventional data types with geometry, topology, and algebra. In this review, we provide an accessible gateway to this fast-growing field and propose a graphical taxonomy that integrates recent advances into an intuitive unified framework. We subsequently extract insights into current challenges and highlight exciting opportunities for future development in this field.

Dynamic shape computations have become critical in modern machine learning workloads, especially in emerging large language models. The success of these models has driven demand for deploying them to a diverse set of backend environments. In this paper, we present Relax, a compiler abstraction for optimizing end-to-end dynamic machine learning workloads. Relax introduces first-class symbolic shape annotations to track dynamic shape computations globally across the program. It also introduces a cross-level abstraction that encapsulates computational graphs, loop-level tensor programs, and library calls in a single representation to enable cross-level optimizations. We build an end-to-end compilation framework using the proposed approach to optimize dynamic shape models. Experimental results on large language models show that Relax delivers performance competitive with state-of-the-art hand-optimized systems across platforms and enables deployment of emerging dynamic models to a broader set of environments, including mobile phones, embedded devices, and web browsers.

The growing popularity of Machine Learning (ML) has led to its deployment in various sensitive domains, which has resulted in significant research focused on ML security and privacy. However, in some applications, such as Augmented/Virtual Reality, integrity verification of the outsourced ML tasks is more critical--a facet that has not received much attention. Existing solutions, such as multi-party computation and proof-based systems, impose significant computation overhead, which makes them unfit for real-time applications. We propose Fides, a novel framework for real-time integrity validation of ML-as-a-Service (MLaaS) inference. Fides features a novel and efficient distillation technique--Greedy Distillation Transfer Learning--that dynamically distills and fine-tunes a space and compute-efficient verification model for verifying the corresponding service model while running inside a trusted execution environment. Fides features a client-side attack detection model that uses statistical analysis and divergence measurements to identify, with a high likelihood, if the service model is under attack. Fides also offers a re-classification functionality that predicts the original class whenever an attack is identified. We devised a generative adversarial network framework for training the attack detection and re-classification models. The evaluation shows that Fides achieves an accuracy of up to 98% for attack detection and 94% for re-classification.

Machine learning (ML) enabled classification models are becoming increasingly popular for tackling the sheer volume and speed of online misinformation and other content that could be identified as harmful. In building these models, data scientists need to take a stance on the legitimacy, authoritativeness and objectivity of the sources of ``truth" used for model training and testing. This has political, ethical and epistemic implications which are rarely addressed in technical papers. Despite (and due to) their reported high accuracy and performance, ML-driven moderation systems have the potential to shape online public debate and create downstream negative impacts such as undue censorship and the reinforcing of false beliefs. Using collaborative ethnography and theoretical insights from social studies of science and expertise, we offer a critical analysis of the process of building ML models for (mis)information classification: we identify a series of algorithmic contingencies--key moments during model development that could lead to different future outcomes, uncertainty and harmful effects as these tools are deployed by social media platforms. We conclude by offering a tentative path toward reflexive and responsible development of ML tools for moderating misinformation and other harmful content online.

Machine learning based surrogate models offer researchers powerful tools for accelerating simulation-based workflows. However, as standard datasets in this space often cover small classes of physical behavior, it can be difficult to evaluate the efficacy of new approaches. To address this gap, we introduce the Well: a large-scale collection of datasets containing numerical simulations of a wide variety of spatiotemporal physical systems. The Well draws from domain experts and numerical software developers to provide 15TB of data across 16 datasets covering diverse domains such as biological systems, fluid dynamics, acoustic scattering, as well as magneto-hydrodynamic simulations of extra-galactic fluids or supernova explosions. These datasets can be used individually or as part of a broader benchmark suite. To facilitate usage of the Well, we provide a unified PyTorch interface for training and evaluating models. We demonstrate the function of this library by introducing example baselines that highlight the new challenges posed by the complex dynamics of the Well. The code and data is available at https://github.com/PolymathicAI/the_well.

The Sherrington-Kirkpatrick spin-glass model used the replica symmetry method to find the phase transition of the system. In 1979-1980, Parisi proposed a solution based on replica symmetry breaking (RSB), which allowed him to identify the underlying phases of complex systems such as spin-glasses. Regardless of the method used for detection, the intrinsic phase of a system exists whether or not replicas are considered. We introduce a single replica method of spin-glass phase detection using the field's variation experienced by each spin in a system configuration. This method focuses on a single replica with quenched random couplings. Each spin inevitably observes a different field from the others. Our results show that the mean and variance of fields named "Spontaneous Configurational Field" experienced by spins are suitable indicators to explore different ferromagnetic, paramagnetic, and mixed phases. To classify different phases of the system with defined indicators we have developed an algorithm based on machine learning to analyze the desired samples.

The relational data model was designed to facilitate large-scale data management and analytics. We consider the problem of how to differentiate computations expressed relationally. We show experimentally that a relational engine running an auto-differentiated relational algorithm can easily scale to very large datasets, and is competitive with state-of-the-art, special-purpose systems for large-scale distributed machine learning.

Regardless of the selected asset class and the level of model complexity (Transformer versus LSTM versus Perceptron/RNN), the GMADL loss function produces superior results than standard MSE-type loss functions and has better numerical properties in the context of optimization than MADL. Better results mean the possibility of achieving a higher risk-weighted return based on buy and sell signals built on forecasts generated by a given theoretical model estimated using the GMADL versus MSE or MADL function. In practice, GMADL solves the problem of selecting the most preferable feature in both classification and regression problems, improving the performance of each estimation. What is important is that, through additional parameterization, GMADL also solves the problem of optimizing investment systems on high-frequency data in such a way that they focus on strategy variants that contain fewer transactions so that transaction costs do not reduce the effectiveness of a given strategy to zero. Moreover, the implementation leverages state-of-the-art machine learning tools, including frameworks for hyperparameter tuning, architecture testing, and walk-forward optimization, ensuring robust and scalable solutions for real-world algorithmic trading.

The field of artificial intelligence (AI) has experienced remarkable progress in recent years, driven by the widespread adoption of open-source machine learning models in both research and industry. Considering the resource-intensive nature of training on vast datasets, many applications opt for models that have already been trained. Hence, a small number of key players undertake the responsibility of training and publicly releasing large pre-trained models, providing a crucial foundation for a wide range of applications. However, the adoption of these open-source models carries inherent privacy and security risks that are often overlooked. To provide a concrete example, an inconspicuous model may conceal hidden functionalities that, when triggered by specific input patterns, can manipulate the behavior of the system, such as instructing self-driving cars to ignore the presence of other vehicles. The implications of successful privacy and security attacks encompass a broad spectrum, ranging from relatively minor damage like service interruptions to highly alarming scenarios, including physical harm or the exposure of sensitive user data. In this work, we present a comprehensive overview of common privacy and security threats associated with the use of open-source models. By raising awareness of these dangers, we strive to promote the responsible and secure use of AI systems.

As structured data are often insufficient, labels need to be extracted from free text in electronic health records when developing models for clinical information retrieval and decision support systems. One of the most important contextual properties in clinical text is negation, which indicates the absence of findings. We aimed to improve large scale extraction of labels by comparing three methods for negation detection in Dutch clinical notes. We used the Erasmus Medical Center Dutch Clinical Corpus to compare a rule-based method based on ContextD, a biLSTM model using MedCAT and (finetuned) RoBERTa-based models. We found that both the biLSTM and RoBERTa models consistently outperform the rule-based model in terms of F1 score, precision and recall. In addition, we systematically categorized the classification errors for each model, which can be used to further improve model performance in particular applications. Combining the three models naively was not beneficial in terms of performance. We conclude that the biLSTM and RoBERTa-based models in particular are highly accurate accurate in detecting clinical negations, but that ultimately all three approaches can be viable depending on the use case at hand.

In Machine Learning, a benchmark refers to an ensemble of datasets associated with one or multiple metrics together with a way to aggregate different systems performances. They are instrumental in (i) assessing the progress of new methods along different axes and (ii) selecting the best systems for practical use. This is particularly the case for NLP with the development of large pre-trained models (e.g. GPT, BERT) that are expected to generalize well on a variety of tasks. While the community mainly focused on developing new datasets and metrics, there has been little interest in the aggregation procedure, which is often reduced to a simple average over various performance measures. However, this procedure can be problematic when the metrics are on a different scale, which may lead to spurious conclusions. This paper proposes a new procedure to rank systems based on their performance across different tasks. Motivated by the social choice theory, the final system ordering is obtained through aggregating the rankings induced by each task and is theoretically grounded. We conduct extensive numerical experiments (on over 270k scores) to assess the soundness of our approach both on synthetic and real scores (e.g. GLUE, EXTREM, SEVAL, TAC, FLICKR). In particular, we show that our method yields different conclusions on state-of-the-art systems than the mean-aggregation procedure while being both more reliable and robust.

Deep neural networks have achieved success across a wide range of applications, including as models of human behavior in vision tasks. However, neural network training and human learning differ in fundamental ways, and neural networks often fail to generalize as robustly as humans do, raising questions regarding the similarity of their underlying representations. What is missing for modern learning systems to exhibit more human-like behavior? We highlight a key misalignment between vision models and humans: whereas human conceptual knowledge is hierarchically organized from fine- to coarse-scale distinctions, model representations do not accurately capture all these levels of abstraction. To address this misalignment, we first train a teacher model to imitate human judgments, then transfer human-like structure from its representations into pretrained state-of-the-art vision foundation models. These human-aligned models more accurately approximate human behavior and uncertainty across a wide range of similarity tasks, including a new dataset of human judgments spanning multiple levels of semantic abstractions. They also perform better on a diverse set of machine learning tasks, increasing generalization and out-of-distribution robustness. Thus, infusing neural networks with additional human knowledge yields a best-of-both-worlds representation that is both more consistent with human cognition and more practically useful, thus paving the way toward more robust, interpretable, and human-like artificial intelligence systems.

Researchers are investing substantial effort in developing powerful general-purpose agents, wherein Foundation Models are used as modules within agentic systems (e.g. Chain-of-Thought, Self-Reflection, Toolformer). However, the history of machine learning teaches us that hand-designed solutions are eventually replaced by learned solutions. We formulate a new research area, Automated Design of Agentic Systems (ADAS), which aims to automatically create powerful agentic system designs, including inventing novel building blocks and/or combining them in new ways. We further demonstrate that there is an unexplored yet promising approach within ADAS where agents can be defined in code and new agents can be automatically discovered by a meta agent programming ever better ones in code. Given that programming languages are Turing Complete, this approach theoretically enables the learning of any possible agentic system: including novel prompts, tool use, control flows, and combinations thereof. We present a simple yet effective algorithm named Meta Agent Search to demonstrate this idea, where a meta agent iteratively programs interesting new agents based on an ever-growing archive of previous discoveries. Through extensive experiments across multiple domains including coding, science, and math, we show that our algorithm can progressively invent agents with novel designs that greatly outperform state-of-the-art hand-designed agents. Importantly, we consistently observe the surprising result that agents invented by Meta Agent Search maintain superior performance even when transferred across domains and models, demonstrating their robustness and generality. Provided we develop it safely, our work illustrates the potential of an exciting new research direction toward automatically designing ever-more powerful agentic systems to benefit humanity.

Machine learning (ML) methods already permeate environmental decision-making, from processing high-dimensional data on earth systems to monitoring compliance with environmental regulations. Of the ML techniques available to address pressing environmental problems (e.g., climate change, biodiversity loss), Reinforcement Learning (RL) may both hold the greatest promise and present the most pressing perils. This paper explores how RL-driven policy refracts existing power relations in the environmental domain while also creating unique challenges to ensuring equitable and accountable environmental decision processes. We leverage examples from RL applications to climate change mitigation and fisheries management to explore how RL technologies shift the distribution of power between resource users, governing bodies, and private industry.

The development of efficient machine learning models for molecular systems representation is becoming crucial in scientific research. We introduce TensorNet, an innovative O(3)-equivariant message-passing neural network architecture that leverages Cartesian tensor representations. By using Cartesian tensor atomic embeddings, feature mixing is simplified through matrix product operations. Furthermore, the cost-effective decomposition of these tensors into rotation group irreducible representations allows for the separate processing of scalars, vectors, and tensors when necessary. Compared to higher-rank spherical tensor models, TensorNet demonstrates state-of-the-art performance with significantly fewer parameters. For small molecule potential energies, this can be achieved even with a single interaction layer. As a result of all these properties, the model's computational cost is substantially decreased. Moreover, the accurate prediction of vector and tensor molecular quantities on top of potential energies and forces is possible. In summary, TensorNet's framework opens up a new space for the design of state-of-the-art equivariant models.

Scientific Machine Learning (SciML) is concerned with the development of learned emulators of physical systems governed by partial differential equations (PDE). In application domains such as weather forecasting, molecular dynamics, and inverse design, ML-based surrogate models are increasingly used to augment or replace inefficient and often non-differentiable numerical simulation algorithms. While a number of ML-based methods for approximating the solutions of PDEs have been proposed in recent years, they typically do not adapt to the parameters of the PDEs, making it difficult to generalize to PDE parameters not seen during training. We propose a Channel Attention mechanism guided by PDE Parameter Embeddings (CAPE) component for neural surrogate models and a simple yet effective curriculum learning strategy. The CAPE module can be combined with neural PDE solvers allowing them to adapt to unseen PDE parameters. The curriculum learning strategy provides a seamless transition between teacher-forcing and fully auto-regressive training. We compare CAPE in conjunction with the curriculum learning strategy using a popular PDE benchmark and obtain consistent and significant improvements over the baseline models. The experiments also show several advantages of CAPE, such as its increased ability to generalize to unseen PDE parameters without large increases inference time and parameter count.

Many poker systems, whether created with heuristics or machine learning, rely on the probability of winning as a key input. However calculating the precise probability using combinatorics is an intractable problem, so instead we approximate it. Monte Carlo simulation is an effective technique that can be used to approximate the probability that a player will win and/or tie a hand. However, without the use of a memory-intensive lookup table or a supercomputer, it becomes infeasible to run millions of times when training an agent with self-play. To combat the space-time tradeoff, we use deep learning to approximate the probabilities obtained from the Monte Carlo simulation with high accuracy. The learned model proves to be a lightweight alternative to Monte Carlo simulation, which ultimately allows us to use the probabilities as inputs during self-play efficiently. The source code and optimized neural network can be found at https://github.com/brandinho/Poker-Probability-Approximation

Product recommendation systems are important for major movie studios during the movie greenlight process and as part of machine learning personalization pipelines. Collaborative Filtering (CF) models have proved to be effective at powering recommender systems for online streaming services with explicit customer feedback data. CF models do not perform well in scenarios in which feedback data is not available, in cold start situations like new product launches, and situations with markedly different customer tiers (e.g., high frequency customers vs. casual customers). Generative natural language models that create useful theme-based representations of an underlying corpus of documents can be used to represent new product descriptions, like new movie plots. When combined with CF, they have shown to increase the performance in cold start situations. Outside of those cases though in which explicit customer feedback is available, recommender engines must rely on binary purchase data, which materially degrades performance. Fortunately, purchase data can be combined with product descriptions to generate meaningful representations of products and customer trajectories in a convenient product space in which proximity represents similarity. Learning to measure the distance between points in this space can be accomplished with a deep neural network that trains on customer histories and on dense vectorizations of product descriptions. We developed a system based on Collaborative (Deep) Metric Learning (CML) to predict the purchase probabilities of new theatrical releases. We trained and evaluated the model using a large dataset of customer histories, and tested the model for a set of movies that were released outside of the training window. Initial experiments show gains relative to models that do not train on collaborative preferences.

The automated code evaluation system (AES) is mainly designed to reliably assess user-submitted code. Due to their extensive range of applications and the accumulation of valuable resources, AESs are becoming increasingly popular. Research on the application of AES and their real-world resource exploration for diverse coding tasks is still lacking. In this study, we conducted a comprehensive survey on AESs and their resources. This survey explores the application areas of AESs, available resources, and resource utilization for coding tasks. AESs are categorized into programming contests, programming learning and education, recruitment, online compilers, and additional modules, depending on their application. We explore the available datasets and other resources of these systems for research, analysis, and coding tasks. Moreover, we provide an overview of machine learning-driven coding tasks, such as bug detection, code review, comprehension, refactoring, search, representation, and repair. These tasks are performed using real-life datasets. In addition, we briefly discuss the Aizu Online Judge platform as a real example of an AES from the perspectives of system design (hardware and software), operation (competition and education), and research. This is due to the scalability of the AOJ platform (programming education, competitions, and practice), open internal features (hardware and software), attention from the research community, open source data (e.g., solution codes and submission documents), and transparency. We also analyze the overall performance of this system and the perceived challenges over the years.

Increasingly sophisticated mathematical modelling processes from Machine Learning are being used to analyse complex data. However, the performance and explainability of these models within practical critical systems requires a rigorous and continuous verification of their safe utilisation. Working towards addressing this challenge, this paper presents a principled novel safety argument framework for critical systems that utilise deep neural networks. The approach allows various forms of predictions, e.g., future reliability of passing some demands, or confidence on a required reliability level. It is supported by a Bayesian analysis using operational data and the recent verification and validation techniques for deep learning. The prediction is conservative -- it starts with partial prior knowledge obtained from lifecycle activities and then determines the worst-case prediction. Open challenges are also identified.

Scaling up deep learning models has been proven effective to improve intelligence of machine learning (ML) models, especially for industry recommendation models and large language models. The co-design of distributed ML systems and algorithms (to maximize training performance) plays a pivotal role for its success. As it scales, the number of co-design hyper-parameters grows rapidly which brings challenges to feasibly find the optimal setup for system performance maximization. In this paper, we propose CubicML which uses ML to automatically optimize training performance of distributed ML systems. In CubicML, we use a ML model as a proxy to predict the training performance for search efficiency and performance modeling flexibility. We proved that CubicML can effectively optimize training speed of in-house ads recommendation models and large language models at Meta.

Visual Speech Recognition (VSR) is the process of recognizing or interpreting speech by watching the lip movements of the speaker. Recent machine learning based approaches model VSR as a classification problem; however, the scarcity of training data leads to error-prone systems with very low accuracies in predicting unseen classes. To solve this problem, we present a novel approach to zero-shot learning by generating new classes using Generative Adversarial Networks (GANs), and show how the addition of unseen class samples increases the accuracy of a VSR system by a significant margin of 27% and allows it to handle speaker-independent out-of-vocabulary phrases. We also show that our models are language agnostic and therefore capable of seamlessly generating, using English training data, videos for a new language (Hindi). To the best of our knowledge, this is the first work to show empirical evidence of the use of GANs for generating training samples of unseen classes in the domain of VSR, hence facilitating zero-shot learning. We make the added videos for new classes publicly available along with our code.

Federated learning and gossip learning are emerging methodologies designed to mitigate data privacy concerns by retaining training data on client devices and exclusively sharing locally-trained machine learning (ML) models with others. The primary distinction between the two lies in their approach to model aggregation: federated learning employs a centralized parameter server, whereas gossip learning adopts a fully decentralized mechanism, enabling direct model exchanges among nodes. This decentralized nature often positions gossip learning as less efficient compared to federated learning. Both methodologies involve a critical step: computing a representation of received ML models and integrating this representation into the existing model. Conventionally, this representation is derived by averaging the received models, exemplified by the FedAVG algorithm. Our findings suggest that this averaging approach inherently introduces a potential delay in model convergence. We identify the underlying cause and refer to it as the "vanishing variance" problem, where averaging across uncorrelated ML models undermines the optimal variance established by the Xavier weight initialization. Unlike federated learning where the central server ensures model correlation, and unlike traditional gossip learning which circumvents this problem through model partitioning and sampling, our research introduces a variance-corrected model averaging algorithm. This novel algorithm preserves the optimal variance needed during model averaging, irrespective of network topology or non-IID data distributions. Our extensive simulation results demonstrate that our approach enables gossip learning to achieve convergence efficiency comparable to that of federated learning.

Mathematical reasoning is a fundamental aspect of human intelligence and is applicable in various fields, including science, engineering, finance, and everyday life. The development of artificial intelligence (AI) systems capable of solving math problems and proving theorems has garnered significant interest in the fields of machine learning and natural language processing. For example, mathematics serves as a testbed for aspects of reasoning that are challenging for powerful deep learning models, driving new algorithmic and modeling advances. On the other hand, recent advances in large-scale neural language models have opened up new benchmarks and opportunities to use deep learning for mathematical reasoning. In this survey paper, we review the key tasks, datasets, and methods at the intersection of mathematical reasoning and deep learning over the past decade. We also evaluate existing benchmarks and methods, and discuss future research directions in this domain.

Reinforcement learning (RL) is a branch of machine learning that has been used in a variety of applications such as robotics, game playing, and autonomous systems. In recent years, there has been growing interest in applying RL to quantitative trading, where the goal is to make profitable trades in financial markets. This paper explores the use of RL in quantitative trading and presents a case study of a RL-based trading algorithm. The results show that RL can be a powerful tool for quantitative trading, and that it has the potential to outperform traditional trading algorithms. The use of reinforcement learning in quantitative trading represents a promising area of research that can potentially lead to the development of more sophisticated and effective trading systems. Future work could explore the use of alternative reinforcement learning algorithms, incorporate additional data sources, and test the system on different asset classes. Overall, our research demonstrates the potential of using reinforcement learning in quantitative trading and highlights the importance of continued research and development in this area. By developing more sophisticated and effective trading systems, we can potentially improve the efficiency of financial markets and generate greater returns for investors.

Anomaly detection in supercomputers is a very difficult problem due to the big scale of the systems and the high number of components. The current state of the art for automated anomaly detection employs Machine Learning methods or statistical regression models in a supervised fashion, meaning that the detection tool is trained to distinguish among a fixed set of behaviour classes (healthy and unhealthy states). We propose a novel approach for anomaly detection in High Performance Computing systems based on a Machine (Deep) Learning technique, namely a type of neural network called autoencoder. The key idea is to train a set of autoencoders to learn the normal (healthy) behaviour of the supercomputer nodes and, after training, use them to identify abnormal conditions. This is different from previous approaches which where based on learning the abnormal condition, for which there are much smaller datasets (since it is very hard to identify them to begin with). We test our approach on a real supercomputer equipped with a fine-grained, scalable monitoring infrastructure that can provide large amount of data to characterize the system behaviour. The results are extremely promising: after the training phase to learn the normal system behaviour, our method is capable of detecting anomalies that have never been seen before with a very good accuracy (values ranging between 88% and 96%).

Recommender systems play a significant role in information filtering and have been utilized in different scenarios, such as e-commerce and social media. With the prosperity of deep learning, deep recommender systems show superior performance by capturing non-linear information and item-user relationships. However, the design of deep recommender systems heavily relies on human experiences and expert knowledge. To tackle this problem, Automated Machine Learning (AutoML) is introduced to automatically search for the proper candidates for different parts of deep recommender systems. This survey performs a comprehensive review of the literature in this field. Firstly, we propose an abstract concept for AutoML for deep recommender systems (AutoRecSys) that describes its building blocks and distinguishes it from conventional AutoML techniques and recommender systems. Secondly, we present a taxonomy as a classification framework containing feature selection search, embedding dimension search, feature interaction search, model architecture search, and other components search. Furthermore, we put a particular emphasis on the search space and search strategy, as they are the common thread to connect all methods within each category and enable practitioners to analyze and compare various approaches. Finally, we propose four future promising research directions that will lead this line of research.

TinyML is a novel area of machine learning that gained huge momentum in the last few years thanks to the ability to execute machine learning algorithms on tiny devices (such as Internet-of-Things or embedded systems). Interestingly, research in this area focused on the efficient execution of the inference phase of TinyML models on tiny devices, while very few solutions for on-device learning of TinyML models are available in the literature due to the relevant overhead introduced by the learning algorithms. The aim of this paper is to introduce a new type of adaptive TinyML solution that can be used in tasks, such as the presented Tiny Speaker Verification (TinySV), that require to be tackled with an on-device learning algorithm. Achieving this goal required (i) reducing the memory and computational demand of TinyML learning algorithms, and (ii) designing a TinyML learning algorithm operating with few and possibly unlabelled training data. The proposed TinySV solution relies on a two-layer hierarchical TinyML solution comprising Keyword Spotting and Adaptive Speaker Verification module. We evaluated the effectiveness and efficiency of the proposed TinySV solution on a dataset collected expressly for the task and tested the proposed solution on a real-world IoT device (Infineon PSoC 62S2 Wi-Fi BT Pioneer Kit).

In the rapidly evolving landscape of artificial intelligence (AI), generative large language models (LLMs) stand at the forefront, revolutionizing how we interact with our data. However, the computational intensity and memory consumption of deploying these models present substantial challenges in terms of serving efficiency, particularly in scenarios demanding low latency and high throughput. This survey addresses the imperative need for efficient LLM serving methodologies from a machine learning system (MLSys) research perspective, standing at the crux of advanced AI innovations and practical system optimizations. We provide in-depth analysis, covering a spectrum of solutions, ranging from cutting-edge algorithmic modifications to groundbreaking changes in system designs. The survey aims to provide a comprehensive understanding of the current state and future directions in efficient LLM serving, offering valuable insights for researchers and practitioners in overcoming the barriers of effective LLM deployment, thereby reshaping the future of AI.

Partial differential equations (PDEs) are important tools to model physical systems, and including them into machine learning models is an important way of incorporating physical knowledge. Given any system of linear PDEs with constant coefficients, we propose a family of Gaussian process (GP) priors, which we call EPGP, such that all realizations are exact solutions of this system. We apply the Ehrenpreis-Palamodov fundamental principle, which works like a non-linear Fourier transform, to construct GP kernels mirroring standard spectral methods for GPs. Our approach can infer probable solutions of linear PDE systems from any data such as noisy measurements, or pointwise defined initial and boundary conditions. Constructing EPGP-priors is algorithmic, generally applicable, and comes with a sparse version (S-EPGP) that learns the relevant spectral frequencies and works better for big data sets. We demonstrate our approach on three families of systems of PDE, the heat equation, wave equation, and Maxwell's equations, where we improve upon the state of the art in computation time and precision, in some experiments by several orders of magnitude.

In this study, we propose a volume-to-point framework for quantitative precipitation estimation (QPE) based on the Quantitative Precipitation Estimation and Segregation Using Multiple Sensor (QPESUMS) Mosaic Radar data set. With a data volume consisting of the time series of gridded radar reflectivities over the Taiwan area, we used machine learning algorithms to establish a statistical model for QPE in weather stations. The model extracts spatial and temporal features from the input data volume and then associates these features with the location-specific precipitations. In contrast to QPE methods based on the Z-R relation, we leverage the machine learning algorithms to automatically detect the evolution and movement of weather systems and associate these patterns to a location with specific topographic attributes. Specifically, we evaluated this framework with the hourly precipitation data of 45 weather stations in Taipei during 2013-2016. In comparison to the operational QPE scheme used by the Central Weather Bureau, the volume-to-point framework performed comparably well in general cases and excelled in detecting heavy-rainfall events. By using the current results as the reference benchmark, the proposed method can integrate the heterogeneous data sources and potentially improve the forecast in extreme precipitation scenarios.

Adversarial patches exemplify the tangible manifestation of the threat posed by adversarial attacks on Machine Learning (ML) models in real-world scenarios. Robustness against these attacks is of the utmost importance when designing computer vision applications, especially for safety-critical domains such as CCTV systems. In most practical situations, monitoring open spaces requires multi-view systems to overcome acquisition challenges such as occlusion handling. Multiview object systems are able to combine data from multiple views, and reach reliable detection results even in difficult environments. Despite its importance in real-world vision applications, the vulnerability of multiview systems to adversarial patches is not sufficiently investigated. In this paper, we raise the following question: Does the increased performance and information sharing across views offer as a by-product robustness to adversarial patches? We first conduct a preliminary analysis showing promising robustness against off-the-shelf adversarial patches, even in an extreme setting where we consider patches applied to all views by all persons in Wildtrack benchmark. However, we challenged this observation by proposing two new attacks: (i) In the first attack, targeting a multiview CNN, we maximize the global loss by proposing gradient projection to the different views and aggregating the obtained local gradients. (ii) In the second attack, we focus on a Transformer-based multiview framework. In addition to the focal loss, we also maximize the transformer-specific loss by dissipating its attention blocks. Our results show a large degradation in the detection performance of victim multiview systems with our first patch attack reaching an attack success rate of 73% , while our second proposed attack reduced the performance of its target detector by 62%

Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.

There has been much interest in deploying deep learning algorithms on low-powered devices, including smartphones, drones, and medical sensors. However, full-scale deep neural networks are often too resource-intensive in terms of energy and storage. As a result, the bulk part of the machine learning operation is therefore often carried out on an edge server, where the data is compressed and transmitted. However, compressing data (such as images) leads to transmitting information irrelevant to the supervised task. Another popular approach is to split the deep network between the device and the server while compressing intermediate features. To date, however, such split computing strategies have barely outperformed the aforementioned naive data compression baselines due to their inefficient approaches to feature compression. This paper adopts ideas from knowledge distillation and neural image compression to compress intermediate feature representations more efficiently. Our supervised compression approach uses a teacher model and a student model with a stochastic bottleneck and learnable prior for entropy coding (Entropic Student). We compare our approach to various neural image and feature compression baselines in three vision tasks and found that it achieves better supervised rate-distortion performance while maintaining smaller end-to-end latency. We furthermore show that the learned feature representations can be tuned to serve multiple downstream tasks.

Global medium-range weather forecasting is critical to decision-making across many social and economic domains. Traditional numerical weather prediction uses increased compute resources to improve forecast accuracy, but cannot directly use historical weather data to improve the underlying model. We introduce a machine learning-based method called "GraphCast", which can be trained directly from reanalysis data. It predicts hundreds of weather variables, over 10 days at 0.25 degree resolution globally, in under one minute. We show that GraphCast significantly outperforms the most accurate operational deterministic systems on 90% of 1380 verification targets, and its forecasts support better severe event prediction, including tropical cyclones, atmospheric rivers, and extreme temperatures. GraphCast is a key advance in accurate and efficient weather forecasting, and helps realize the promise of machine learning for modeling complex dynamical systems.

Magnetic navigation (MagNav) is a rising alternative to the Global Positioning System (GPS) and has proven useful for aircraft navigation. Traditional aircraft navigation systems, while effective, face limitations in precision and reliability in certain environments and against attacks. Airborne MagNav leverages the Earth's magnetic field to provide accurate positional information. However, external magnetic fields induced by aircraft electronics and Earth's large-scale magnetic fields disrupt the weaker signal of interest. We introduce a physics-informed approach using Tolles-Lawson coefficients for compensation and Liquid Time-Constant Networks (LTCs) to remove complex, noisy signals derived from the aircraft's magnetic sources. Using real flight data with magnetometer measurements and aircraft measurements, we observe up to a 64% reduction in aeromagnetic compensation error (RMSE nT), outperforming conventional models. This significant improvement underscores the potential of a physics-informed, machine learning approach for extracting clean, reliable, and accurate magnetic signals for MagNav positional estimation.

Negation is an important characteristic of language, and a major component of information extraction from text. This subtask is of considerable importance to the biomedical domain. Over the years, multiple approaches have been explored to address this problem: Rule-based systems, Machine Learning classifiers, Conditional Random Field Models, CNNs and more recently BiLSTMs. In this paper, we look at applying Transfer Learning to this problem. First, we extensively review previous literature addressing Negation Detection and Scope Resolution across the 3 datasets that have gained popularity over the years: the BioScope Corpus, the Sherlock dataset, and the SFU Review Corpus. We then explore the decision choices involved with using BERT, a popular transfer learning model, for this task, and report state-of-the-art results for scope resolution across all 3 datasets. Our model, referred to as NegBERT, achieves a token level F1 score on scope resolution of 92.36 on the Sherlock dataset, 95.68 on the BioScope Abstracts subcorpus, 91.24 on the BioScope Full Papers subcorpus, 90.95 on the SFU Review Corpus, outperforming the previous state-of-the-art systems by a significant margin. We also analyze the model's generalizability to datasets on which it is not trained.

In this study, we investigate the emerging threat of inaudible acoustic attacks targeting digital voice assistants, a critical concern given their projected prevalence to exceed the global population by 2024. Our research extends the feasibility of these attacks across various platforms like Amazon's Alexa, Android, iOS, and Cortana, revealing significant vulnerabilities in smart devices. The twelve attack vectors identified include successful manipulation of smart home devices and automotive systems, potential breaches in military communication, and challenges in critical infrastructure security. We quantitatively show that attack success rates hover around 60%, with the ability to activate devices remotely from over 100 feet away. Additionally, these attacks threaten critical infrastructure, emphasizing the need for multifaceted defensive strategies combining acoustic shielding, advanced signal processing, machine learning, and robust user authentication to mitigate these risks.

Vector quantization, renowned for its unparalleled feature compression capabilities, has been a prominent topic in signal processing and machine learning research for several decades and remains widely utilized today. With the emergence of large models and generative AI, vector quantization has gained popularity in recommender systems, establishing itself as a preferred solution. This paper starts with a comprehensive review of vector quantization techniques. It then explores systematic taxonomies of vector quantization methods for recommender systems (VQ4Rec), examining their applications from multiple perspectives. Further, it provides a thorough introduction to research efforts in diverse recommendation scenarios, including efficiency-oriented approaches and quality-oriented approaches. Finally, the survey analyzes the remaining challenges and anticipates future trends in VQ4Rec, including the challenges associated with the training of vector quantization, the opportunities presented by large language models, and emerging trends in multimodal recommender systems. We hope this survey can pave the way for future researchers in the recommendation community and accelerate their exploration in this promising field.

Chaos and unpredictability are traditionally synonymous, yet large-scale machine learning methods recently have demonstrated a surprising ability to forecast chaotic systems well beyond typical predictability horizons. However, recent works disagree on whether specialized methods grounded in dynamical systems theory, such as reservoir computers or neural ordinary differential equations, outperform general-purpose large-scale learning methods such as transformers or recurrent neural networks. These prior studies perform comparisons on few individually-chosen chaotic systems, thereby precluding robust quantification of how statistical modeling choices and dynamical invariants of different chaotic systems jointly determine empirical predictability. Here, we perform the largest to-date comparative study of forecasting methods on the classical problem of forecasting chaos: we benchmark 24 state-of-the-art forecasting methods on a crowdsourced database of 135 low-dimensional systems with 17 forecast metrics. We find that large-scale, domain-agnostic forecasting methods consistently produce predictions that remain accurate up to two dozen Lyapunov times, thereby accessing a new long-horizon forecasting regime well beyond classical methods. We find that, in this regime, accuracy decorrelates with classical invariant measures of predictability like the Lyapunov exponent. However, in data-limited settings outside the long-horizon regime, we find that physics-based hybrid methods retain a comparative advantage due to their strong inductive biases.

Recent technological advances, especially in the field of machine learning, provide astonishing progress on the road towards artificial general intelligence. However, tasks in current real-world business applications cannot yet be solved by machines alone. We, therefore, identify the need for developing socio-technological ensembles of humans and machines. Such systems possess the ability to accomplish complex goals by combining human and artificial intelligence to collectively achieve superior results and continuously improve by learning from each other. Thus, the need for structured design knowledge for those systems arises. Following a taxonomy development method, this article provides three main contributions: First, we present a structured overview of interdisciplinary research on the role of humans in the machine learning pipeline. Second, we envision hybrid intelligence systems and conceptualize the relevant dimensions for system design for the first time. Finally, we offer useful guidance for system developers during the implementation of such applications.

The Airbnb search system grapples with many unique challenges as it continues to evolve. We oversee a marketplace that is nuanced by geography, diversity of homes, and guests with a variety of preferences. Crafting an efficient search system that can accommodate diverse guest needs, while showcasing relevant homes lies at the heart of Airbnb's success. Airbnb search has many challenges that parallel other recommendation and search systems but it has a unique information retrieval problem, upstream of ranking, called location retrieval. It requires defining a topological map area that is relevant to the searched query for homes listing retrieval. The purpose of this paper is to demonstrate the methodology, challenges, and impact of building a machine learning based location retrieval product from the ground up. Despite the lack of suitable, prevalent machine learning based approaches, we tackle cold start, generalization, differentiation and algorithmic bias. We detail the efficacy of heuristics, statistics, machine learning, and reinforcement learning approaches to solve these challenges, particularly for systems that are often unexplored by current literature.

Codification of free-text clinical narratives have long been recognised to be beneficial for secondary uses such as funding, insurance claim processing and research. The current scenario of assigning codes is a manual process which is very expensive, time-consuming and error prone. In recent years, many researchers have studied the use of Natural Language Processing (NLP), related Machine Learning (ML) and Deep Learning (DL) methods and techniques to resolve the problem of manual coding of clinical narratives and to assist human coders to assign clinical codes more accurately and efficiently. This systematic literature review provides a comprehensive overview of automated clinical coding systems that utilises appropriate NLP, ML and DL methods and techniques to assign ICD codes to discharge summaries. We have followed the Preferred Reporting Items for Systematic Reviews and Meta-Analyses(PRISMA) guidelines and conducted a comprehensive search of publications from January, 2010 to December 2020 in four academic databases- PubMed, ScienceDirect, Association for Computing Machinery(ACM) Digital Library, and the Association for Computational Linguistics(ACL) Anthology. We reviewed 7,556 publications; 38 met the inclusion criteria. This review identified: datasets having discharge summaries; NLP techniques along with some other data extraction processes, different feature extraction and embedding techniques. To measure the performance of classification methods, different evaluation metrics are used. Lastly, future research directions are provided to scholars who are interested in automated ICD code assignment. Efforts are still required to improve ICD code prediction accuracy, availability of large-scale de-identified clinical corpora with the latest version of the classification system. This can be a platform to guide and share knowledge with the less experienced coders and researchers.

Machine learning based decision-support tools in criminal justice systems are subjects of intense discussions and academic research. There are important open questions about the utility and fairness of such tools. Academic researchers often rely on a few small datasets that are not sufficient to empirically study various real-world aspects of these questions. In this paper, we contribute WCLD, a curated large dataset of 1.5 million criminal cases from circuit courts in the U.S. state of Wisconsin. We used reliable public data from 1970 to 2020 to curate attributes like prior criminal counts and recidivism outcomes. The dataset contains large number of samples from five racial groups, in addition to information like sex and age (at judgment and first offense). Other attributes in this dataset include neighborhood characteristics obtained from census data, detailed types of offense, charge severity, case decisions, sentence lengths, year of filing etc. We also provide pseudo-identifiers for judge, county and zipcode. The dataset will not only enable researchers to more rigorously study algorithmic fairness in the context of criminal justice, but also relate algorithmic challenges with various systemic issues. We also discuss in detail the process of constructing the dataset and provide a datasheet. The WCLD dataset is available at https://clezdata.github.io/wcld/.

Machine learning provides a powerful tool for building socially compliant robotic systems that go beyond simple predictive models of human behavior. By observing and understanding human interactions from past experiences, learning can enable effective social navigation behaviors directly from data. In this paper, our goal is to develop methods for training policies for socially unobtrusive navigation, such that robots can navigate among humans in ways that don't disturb human behavior. We introduce a definition for such behavior based on the counterfactual perturbation of the human: if the robot had not intruded into the space, would the human have acted in the same way? By minimizing this counterfactual perturbation, we can induce robots to behave in ways that do not alter the natural behavior of humans in the shared space. Instantiating this principle requires training policies to minimize their effect on human behavior, and this in turn requires data that allows us to model the behavior of humans in the presence of robots. Therefore, our approach is based on two key contributions. First, we collect a large dataset where an indoor mobile robot interacts with human bystanders. Second, we utilize this dataset to train policies that minimize counterfactual perturbation. We provide supplementary videos and make publicly available the largest-of-its-kind visual navigation dataset on our project page.

Machine learning models have recently found tremendous success in data-driven control systems. However, standard learning models often suffer from an accuracy-robustness trade-off, which is a limitation that must be overcome in the control of safety-critical systems that require both high performance and rigorous robustness guarantees. In this work, we build upon the recent "locally biased smoothing" method to develop classifiers that simultaneously inherit high accuracy from standard models and high robustness from robust models. Specifically, we extend locally biased smoothing to the multi-class setting, and then overcome its performance bottleneck by generalizing the formulation to "mix" the outputs of a standard neural network and a robust neural network. We prove that when the robustness of the robust base model is certifiable, within a closed-form ell_p radius, no alteration or attack on an input can result in misclassification of the mixed classifier; the proposed model inherits the certified robustness. Moreover, we use numerical experiments on the CIFAR-10 benchmark dataset to verify that the mixed model noticeably improves the accuracy-robustness trade-off.

AutoML systems build machine learning models automatically by performing a search over valid data transformations and learners, along with hyper-parameter optimization for each learner. Many AutoML systems use meta-learning to guide search for optimal pipelines. In this work, we present a novel meta-learning system called KGpip which, (1) builds a database of datasets and corresponding pipelines by mining thousands of scripts with program analysis, (2) uses dataset embeddings to find similar datasets in the database based on its content instead of metadata-based features, (3) models AutoML pipeline creation as a graph generation problem, to succinctly characterize the diverse pipelines seen for a single dataset. KGpip's meta-learning is a sub-component for AutoML systems. We demonstrate this by integrating KGpip with two AutoML systems. Our comprehensive evaluation using 126 datasets, including those used by the state-of-the-art systems, shows that KGpip significantly outperforms these systems.

As machine learning-enabled Text-to-Image (TTI) systems are becoming increasingly prevalent and seeing growing adoption as commercial services, characterizing the social biases they exhibit is a necessary first step to lowering their risk of discriminatory outcomes. This evaluation, however, is made more difficult by the synthetic nature of these systems' outputs; since artificial depictions of fictive humans have no inherent gender or ethnicity nor do they belong to socially-constructed groups, we need to look beyond common categorizations of diversity or representation. To address this need, we propose a new method for exploring and quantifying social biases in TTI systems by directly comparing collections of generated images designed to showcase a system's variation across social attributes -- gender and ethnicity -- and target attributes for bias evaluation -- professions and gender-coded adjectives. Our approach allows us to (i) identify specific bias trends through visualization tools, (ii) provide targeted scores to directly compare models in terms of diversity and representation, and (iii) jointly model interdependent social variables to support a multidimensional analysis. We use this approach to analyze over 96,000 images generated by 3 popular TTI systems (DALL-E 2, Stable Diffusion v 1.4 and v 2) and find that all three significantly over-represent the portion of their latent space associated with whiteness and masculinity across target attributes; among the systems studied, DALL-E 2 shows the least diversity, followed by Stable Diffusion v2 then v1.4.

As machine learning and algorithmic decision making systems are increasingly being leveraged in high-stakes human-in-the-loop settings, there is a pressing need to understand the rationale of their predictions. Researchers have responded to this need with explainable AI (XAI), but often proclaim interpretability axiomatically without evaluation. When these systems are evaluated, they are often tested through offline simulations with proxy metrics of interpretability (such as model complexity). We empirically evaluate the veracity of three common interpretability assumptions through a large scale human-subjects experiment with a simple "placebo explanation" control. We find that feature attribution explanations provide marginal utility in our task for a human decision maker and in certain cases result in worse decisions due to cognitive and contextual confounders. This result challenges the assumed universal benefit of applying these methods and we hope this work will underscore the importance of human evaluation in XAI research. Supplemental materials -- including anonymized data from the experiment, code to replicate the study, an interactive demo of the experiment, and the models used in the analysis -- can be found at: https://doi.pizza/challenging-xai.

Machine Learning has been steadily gaining traction for its use in Anomaly-based Network Intrusion Detection Systems (A-NIDS). Research into this domain is frequently performed using the KDD~CUP~99 dataset as a benchmark. Several studies question its usability while constructing a contemporary NIDS, due to the skewed response distribution, non-stationarity, and failure to incorporate modern attacks. In this paper, we compare the performance for KDD-99 alternatives when trained using classification models commonly found in literature: Neural Network, Support Vector Machine, Decision Tree, Random Forest, Naive Bayes and K-Means. Applying the SMOTE oversampling technique and random undersampling, we create a balanced version of NSL-KDD and prove that skewed target classes in KDD-99 and NSL-KDD hamper the efficacy of classifiers on minority classes (U2R and R2L), leading to possible security risks. We explore UNSW-NB15, a modern substitute to KDD-99 with greater uniformity of pattern distribution. We benchmark this dataset before and after SMOTE oversampling to observe the effect on minority performance. Our results indicate that classifiers trained on UNSW-NB15 match or better the Weighted F1-Score of those trained on NSL-KDD and KDD-99 in the binary case, thus advocating UNSW-NB15 as a modern substitute to these datasets.

With the proliferation of the Internet of Things (IoT) and the rising interconnectedness of devices, network security faces significant challenges, especially from anomalous activities. While traditional machine learning-based intrusion detection systems (ML-IDS) effectively employ supervised learning methods, they possess limitations such as the requirement for labeled data and challenges with high dimensionality. Recent unsupervised ML-IDS approaches such as AutoEncoders and Generative Adversarial Networks (GAN) offer alternative solutions but pose challenges in deployment onto resource-constrained IoT devices and in interpretability. To address these concerns, this paper proposes a novel federated unsupervised anomaly detection framework, FedPCA, that leverages Principal Component Analysis (PCA) and the Alternating Directions Method Multipliers (ADMM) to learn common representations of distributed non-i.i.d. datasets. Building on the FedPCA framework, we propose two algorithms, FEDPE in Euclidean space and FEDPG on Grassmann manifolds. Our approach enables real-time threat detection and mitigation at the device level, enhancing network resilience while ensuring privacy. Moreover, the proposed algorithms are accompanied by theoretical convergence rates even under a subsampling scheme, a novel result. Experimental results on the UNSW-NB15 and TON-IoT datasets show that our proposed methods offer performance in anomaly detection comparable to nonlinear baselines, while providing significant improvements in communication and memory efficiency, underscoring their potential for securing IoT networks.

A central goal of machine learning is the development of systems that can solve many problems in as many data domains as possible. Current architectures, however, cannot be applied beyond a small set of stereotyped settings, as they bake in domain & task assumptions or scale poorly to large inputs or outputs. In this work, we propose Perceiver IO, a general-purpose architecture that handles data from arbitrary settings while scaling linearly with the size of inputs and outputs. Our model augments the Perceiver with a flexible querying mechanism that enables outputs of various sizes and semantics, doing away with the need for task-specific architecture engineering. The same architecture achieves strong results on tasks spanning natural language and visual understanding, multi-task and multi-modal reasoning, and StarCraft II. As highlights, Perceiver IO outperforms a Transformer-based BERT baseline on the GLUE language benchmark despite removing input tokenization and achieves state-of-the-art performance on Sintel optical flow estimation with no explicit mechanisms for multiscale correspondence.

The widespread of offensive content online, such as hate speech and cyber-bullying, is a global phenomenon. This has sparked interest in the artificial intelligence (AI) and natural language processing (NLP) communities, motivating the development of various systems trained to detect potentially harmful content automatically. These systems require annotated datasets to train the machine learning (ML) models. However, with a few notable exceptions, most datasets on this topic have dealt with English and a few other high-resource languages. As a result, the research in offensive language identification has been limited to these languages. This paper addresses this gap by tackling offensive language identification in Sinhala, a low-resource Indo-Aryan language spoken by over 17 million people in Sri Lanka. We introduce the Sinhala Offensive Language Dataset (SOLD) and present multiple experiments on this dataset. SOLD is a manually annotated dataset containing 10,000 posts from Twitter annotated as offensive and not offensive at both sentence-level and token-level, improving the explainability of the ML models. SOLD is the first large publicly available offensive language dataset compiled for Sinhala. We also introduce SemiSOLD, a larger dataset containing more than 145,000 Sinhala tweets, annotated following a semi-supervised approach.

Failure of machine learning models to generalize to new data is a core problem limiting the reliability of AI systems, partly due to the lack of simple and robust methods for comparing new data to the original training dataset. We propose a standardized approach for assessing data similarity in a model-agnostic manner by constructing a supervised autoencoder for generalizability estimation (SAGE). We compare points in a low-dimensional embedded latent space, defining empirical probability measures for k-Nearest Neighbors (kNN) distance, reconstruction of inputs and task-based performance. As proof of concept for classification tasks, we use MNIST and CIFAR-10 to demonstrate how an ensemble output probability score can separate deformed images from a mixture of typical test examples, and how this SAGE score is robust to transformations of increasing severity. As further proof of concept, we extend this approach to a regression task using non-imaging data (UCI Abalone). In all cases, we show that out-of-the-box model performance increases after SAGE score filtering, even when applied to data from the model's own training and test datasets. Our out-of-distribution scoring method can be introduced during several steps of model construction and assessment, leading to future improvements in responsible deep learning implementation.

In this study, a novel machine learning approach was used to classify three types of synoptic weather events in Taiwan area from 2001 to 2010. We used reanalysis data with three machine learning algorithms to recognize weather systems and evaluated their performance. Overall, the classifiers successfully identified 52-83% of weather events (hit rate), which is higher than the performance of traditional objective methods. The results showed that the machine learning approach gave low false alarm rate in general, while the support vector machine (SVM) with more principal components of reanalysis data had higher hit rate on all tested weather events. The sensitivity tests of grid data resolution indicated that the differences between the high- and low-resolution datasets are limited, which implied that the proposed method can achieve reasonable performance in weather forecasting with minimal resources. By identifying daily weather systems in historical reanalysis data, this method can be used to study long-term weather changes, to monitor climatological-scale variations, and to provide a better estimate of climate projections. Furthermore, this method can also serve as an alternative to model output statistics and potentially be used for synoptic weather forecasting.

This paper presents an improved LLM based model for Grammatical Error Detection (GED), which is a very challenging and equally important problem for many applications. The traditional approach to GED involved hand-designed features, but recently, Neural Networks (NN) have automated the discovery of these features, improving performance in GED. Traditional rule-based systems have an F1 score of 0.50-0.60 and earlier machine learning models give an F1 score of 0.65-0.75, including decision trees and simple neural networks. Previous deep learning models, for example, Bi-LSTM, have reported F1 scores within the range from 0.80 to 0.90. In our study, we have fine-tuned various transformer models using the Lang8 dataset rigorously cleaned by us. In our experiments, the BERT-base-uncased model gave an impressive performance with an F1 score of 0.91 and accuracy of 98.49% on training data and 90.53% on testing data, also showcasing the importance of data cleaning. Increasing model size using BERT-large-uncased or RoBERTa-large did not give any noticeable improvements in performance or advantage for this task, underscoring that larger models are not always better. Our results clearly show how far rigorous data cleaning and simple transformer-based models can go toward significantly improving the quality of GED.

Given the existence of various forward and inverse problems in combustion studies and applications that necessitate distinct methods for resolution, a framework to solve them in a unified way is critically needed. A promising approach is the integration of machine learning methods with governing equations of combustion systems, which exhibits superior generality and few-shot learning ability compared to purely data-driven methods. In this work, the FlamePINN-1D framework is proposed to solve the forward and inverse problems of 1D laminar flames based on physics-informed neural networks. Three cases with increasing complexity have been tested: Case 1 are freely-propagating premixed (FPP) flames with simplified physical models, while Case 2 and Case 3 are FPP and counterflow premixed (CFP) flames with detailed models, respectively. For forward problems, FlamePINN-1D aims to solve the flame fields and infer the unknown eigenvalues (such as laminar flame speeds) under the constraints of governing equations and boundary conditions. For inverse problems, FlamePINN-1D aims to reconstruct the continuous fields and infer the unknown parameters (such as transport and chemical kinetics parameters) from noisy sparse observations of the flame. Our results strongly validate these capabilities of FlamePINN-1D across various flames and working conditions. Compared to traditional methods, FlamePINN-1D is differentiable and mesh-free, exhibits no discretization errors, and is easier to implement for inverse problems. The inverse problem results also indicate the possibility of optimizing chemical mechanisms from measurements of laboratory 1D flames. Furthermore, some proposed strategies, such as hard constraints and thin-layer normalization, are proven to be essential for the robust learning of FlamePINN-1D. The code for this paper is partially available at https://github.com/CAME-THU/FlamePINN-1D.

Normalizing flows can transform a simple prior probability distribution into a more complex target distribution. Here, we evaluate the ability and efficiency of generative machine learning methods to sample the Boltzmann distribution of an atomistic model for glass-forming liquids. This is a notoriously difficult task, as it amounts to ergodically exploring the complex free energy landscape of a disordered and frustrated many-body system. We optimize a normalizing flow model to successfully transform high-temperature configurations of a dense liquid into low-temperature ones, near the glass transition. We perform a detailed comparative analysis with established enhanced sampling techniques developed in the physics literature to assess and rank the performance of normalizing flows against state-of-the-art algorithms. We demonstrate that machine learning methods are very promising, showing a large speedup over conventional molecular dynamics. Normalizing flows show performances comparable to parallel tempering and population annealing, while still falling far behind the swap Monte Carlo algorithm. Our study highlights the potential of generative machine learning models in scientific computing for complex systems, but also points to some of its current limitations and the need for further improvement.

With the rise of the Internet, there is a growing need to build intelligent systems that are capable of efficiently dealing with early risk detection (ERD) problems on social media, such as early depression detection, early rumor detection or identification of sexual predators. These systems, nowadays mostly based on machine learning techniques, must be able to deal with data streams since users provide their data over time. In addition, these systems must be able to decide when the processed data is sufficient to actually classify users. Moreover, since ERD tasks involve risky decisions by which people's lives could be affected, such systems must also be able to justify their decisions. However, most standard and state-of-the-art supervised machine learning models are not well suited to deal with this scenario. This is due to the fact that they either act as black boxes or do not support incremental classification/learning. In this paper we introduce SS3, a novel supervised learning model for text classification that naturally supports these aspects. SS3 was designed to be used as a general framework to deal with ERD problems. We evaluated our model on the CLEF's eRisk2017 pilot task on early depression detection. Most of the 30 contributions submitted to this competition used state-of-the-art methods. Experimental results show that our classifier was able to outperform these models and standard classifiers, despite being less computationally expensive and having the ability to explain its rationale.

Software that contains machine learning algorithms is an integral part of automotive perception, for example, in driving automation systems. The development of such software, specifically the training and validation of the machine learning components, require large annotated datasets. An industry of data and annotation services has emerged to serve the development of such data-intensive automotive software components. Wide-spread difficulties to specify data and annotation needs challenge collaborations between OEMs (Original Equipment Manufacturers) and their suppliers of software components, data, and annotations. This paper investigates the reasons for these difficulties for practitioners in the Swedish automotive industry to arrive at clear specifications for data and annotations. The results from an interview study show that a lack of effective metrics for data quality aspects, ambiguities in the way of working, unclear definitions of annotation quality, and deficits in the business ecosystems are causes for the difficulty in deriving the specifications. We provide a list of recommendations that can mitigate challenges when deriving specifications and we propose future research opportunities to overcome these challenges. Our work contributes towards the on-going research on accountability of machine learning as applied to complex software systems, especially for high-stake applications such as automated driving.

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators between infinite dimensional spaces, leading to discretization invariant representations that scale independently of the sample grid resolution. Here we present Variational Autoencoding Neural Operators (VANO), a general strategy for making a large class of operator learning architectures act as variational autoencoders. For this purpose, we provide a novel rigorous mathematical formulation of the variational objective in function spaces for training. VANO first maps an input function to a distribution over a latent space using a parametric encoder and then decodes a sample from the latent distribution to reconstruct the input, as in classic variational autoencoders. We test VANO with different model set-ups and architecture choices for a variety of benchmarks. We start from a simple Gaussian random field where we can analytically track what the model learns and progressively transition to more challenging benchmarks including modeling phase separation in Cahn-Hilliard systems and real world satellite data for measuring Earth surface deformation.

This study investigates the application of deep residual networks for predicting the dynamics of interacting three-dimensional rigid bodies. We present a framework combining a 3D physics simulator implemented in C++ with a deep learning model constructed using PyTorch. The simulator generates training data encompassing linear and angular motion, elastic collisions, fluid friction, gravitational effects, and damping. Our deep residual network, consisting of an input layer, multiple residual blocks, and an output layer, is designed to handle the complexities of 3D dynamics. We evaluate the network's performance using a datasetof 10,000 simulated scenarios, each involving 3-5 interacting rigid bodies. The model achieves a mean squared error of 0.015 for position predictions and 0.022 for orientation predictions, representing a 25% improvement over baseline methods. Our results demonstrate the network's ability to capture intricate physical interactions, with particular success in predicting elastic collisions and rotational dynamics. This work significantly contributes to physics-informed machine learning by showcasing the immense potential of deep residual networks in modeling complex 3D physical systems. We discuss our approach's limitations and propose future directions for improving generalization to more diverse object shapes and materials.

With the growing use of voice-activated systems and speech recognition technologies, the danger of backdoor attacks on audio data has grown significantly. This research looks at a specific type of attack, known as a Stochastic investment-based backdoor attack (MarketBack), in which adversaries strategically manipulate the stylistic properties of audio to fool speech recognition systems. The security and integrity of machine learning models are seriously threatened by backdoor attacks, in order to maintain the reliability of audio applications and systems, the identification of such attacks becomes crucial in the context of audio data. Experimental results demonstrated that MarketBack is feasible to achieve an average attack success rate close to 100% in seven victim models when poisoning less than 1% of the training data.

In modern recommendation systems, the standard pipeline involves training machine learning models on historical data to predict user behaviors and improve recommendations continuously. However, these data training loops can introduce interference in A/B tests, where data generated by control and treatment algorithms, potentially with different distributions, are combined. To address these challenges, we introduce a novel approach called weighted training. This approach entails training a model to predict the probability of each data point appearing in either the treatment or control data and subsequently applying weighted losses during model training. We demonstrate that this approach achieves the least variance among all estimators without causing shifts in the training distributions. Through simulation studies, we demonstrate the lower bias and variance of our approach compared to other methods.

The development of state-of-the-art systems in different applied areas of machine learning (ML) is driven by benchmarks, which have shaped the paradigm of evaluating generalisation capabilities from multiple perspectives. Although the paradigm is shifting towards more fine-grained evaluation across diverse tasks, the delicate question of how to aggregate the performances has received particular interest in the community. In general, benchmarks follow the unspoken utilitarian principles, where the systems are ranked based on their mean average score over task-specific metrics. Such aggregation procedure has been viewed as a sub-optimal evaluation protocol, which may have created the illusion of progress. This paper proposes Vote'n'Rank, a framework for ranking systems in multi-task benchmarks under the principles of the social choice theory. We demonstrate that our approach can be efficiently utilised to draw new insights on benchmarking in several ML sub-fields and identify the best-performing systems in research and development case studies. The Vote'n'Rank's procedures are more robust than the mean average while being able to handle missing performance scores and determine conditions under which the system becomes the winner.

Because of the increasing use of data-centric systems and algorithms in machine learning, the topic of fairness is receiving a lot of attention in the academic and broader literature. This paper introduces Dbias (https://pypi.org/project/Dbias/), an open-source Python package for ensuring fairness in news articles. Dbias can take any text to determine if it is biased. Then, it detects biased words in the text, masks them, and suggests a set of sentences with new words that are bias-free or at least less biased. We conduct extensive experiments to assess the performance of Dbias. To see how well our approach works, we compare it to the existing fairness models. We also test the individual components of Dbias to see how effective they are. The experimental results show that Dbias outperforms all the baselines in terms of accuracy and fairness. We make this package (Dbias) as publicly available for the developers and practitioners to mitigate biases in textual data (such as news articles), as well as to encourage extension of this work.

As the field of automated machine learning (AutoML) advances, it becomes increasingly important to incorporate domain knowledge into these systems. We present an approach for doing so by harnessing the power of large language models (LLMs). Specifically, we introduce Context-Aware Automated Feature Engineering (CAAFE), a feature engineering method for tabular datasets that utilizes an LLM to iteratively generate additional semantically meaningful features for tabular datasets based on the description of the dataset. The method produces both Python code for creating new features and explanations for the utility of the generated features. Despite being methodologically simple, CAAFE improves performance on 11 out of 14 datasets -- boosting mean ROC AUC performance from 0.798 to 0.822 across all dataset - similar to the improvement achieved by using a random forest instead of logistic regression on our datasets. Furthermore, CAAFE is interpretable by providing a textual explanation for each generated feature. CAAFE paves the way for more extensive semi-automation in data science tasks and emphasizes the significance of context-aware solutions that can extend the scope of AutoML systems to semantic AutoML. We release our https://github.com/automl/CAAFE{code}, a simple https://colab.research.google.com/drive/1mCA8xOAJZ4MaB_alZvyARTMjhl6RZf0a{demo} and a https://pypi.org/project/caafe/{python package}.

Categorical distributions are ubiquitous in machine learning, e.g., in classification, language models, and recommendation systems. However, when the number of possible outcomes is very large, using categorical distributions becomes computationally expensive, as the complexity scales linearly with the number of outcomes. To address this problem, we propose augment and reduce (A&R), a method to alleviate the computational complexity. A&R uses two ideas: latent variable augmentation and stochastic variational inference. It maximizes a lower bound on the marginal likelihood of the data. Unlike existing methods which are specific to softmax, A&R is more general and is amenable to other categorical models, such as multinomial probit. On several large-scale classification problems, we show that A&R provides a tighter bound on the marginal likelihood and has better predictive performance than existing approaches.

This thesis explores open-sourced machine learning (ML) model explanation tools to understand whether these tools can allow a layman to visualize, understand, and suggest intuitive remedies to unfairness in ML-based decision-support systems. Machine learning models trained on datasets biased against minority groups are increasingly used to guide life-altering social decisions, prompting the urgent need to study their logic for unfairness. Due to this problem's impact on vast populations of the general public, it is critical for the layperson -- not just subject matter experts in social justice or machine learning experts -- to understand the nature of unfairness within these algorithms and the potential trade-offs. Existing research on fairness in machine learning focuses mostly on the mathematical definitions and tools to understand and remedy unfair models, with some directly citing user-interactive tools as necessary for future work. This thesis presents FairLay-ML, a proof-of-concept GUI integrating some of the most promising tools to provide intuitive explanations for unfair logic in ML models by integrating existing research tools (e.g. Local Interpretable Model-Agnostic Explanations) with existing ML-focused GUI (e.g. Python Streamlit). We test FairLay-ML using models of various accuracy and fairness generated by an unfairness detector tool, Parfait-ML, and validate our results using Themis. Our study finds that the technology stack used for FairLay-ML makes it easy to install and provides real-time black-box explanations of pre-trained models to users. Furthermore, the explanations provided translate to actionable remedies.

Background. The rapid and growing popularity of machine learning (ML) applications has led to an increasing interest in MLOps, that is, the practice of continuous integration and deployment (CI/CD) of ML-enabled systems. Aims. Since changes may affect not only the code but also the ML model parameters and the data themselves, the automation of traditional CI/CD needs to be extended to manage model retraining in production. Method. In this paper, we present an initial investigation of the MLOps practices implemented in a set of ML-enabled systems retrieved from GitHub, focusing on GitHub Actions and CML, two solutions to automate the development workflow. Results. Our preliminary results suggest that the adoption of MLOps workflows in open-source GitHub projects is currently rather limited. Conclusions. Issues are also identified, which can guide future research work.

We identify the task of measuring data to quantitatively characterize the composition of machine learning data and datasets. Similar to an object's height, width, and volume, data measurements quantify different attributes of data along common dimensions that support comparison. Several lines of research have proposed what we refer to as measurements, with differing terminology; we bring some of this work together, particularly in fields of computer vision and language, and build from it to motivate measuring data as a critical component of responsible AI development. Measuring data aids in systematically building and analyzing machine learning (ML) data towards specific goals and gaining better control of what modern ML systems will learn. We conclude with a discussion of the many avenues of future work, the limitations of data measurements, and how to leverage these measurement approaches in research and practice.

Chord progressions encapsulate important information about music, pertaining to its structure and conveyed emotions. They serve as the backbone of musical composition, and in many cases, they are the sole information required for a musician to play along and follow the music. Despite their importance, chord progressions as a data domain remain underexplored. There is a lack of large-scale datasets suitable for deep learning applications, and limited research exploring chord progressions as an input modality. In this work, we present Chordonomicon, a dataset of over 666,000 songs and their chord progressions, annotated with structural parts, genre, and release date - created by scraping various sources of user-generated progressions and associated metadata. We demonstrate the practical utility of the Chordonomicon dataset for classification and generation tasks, and discuss its potential to provide valuable insights to the research community. Chord progressions are unique in their ability to be represented in multiple formats (e.g. text, graph) and the wealth of information chords convey in given contexts, such as their harmonic function . These characteristics make the Chordonomicon an ideal testbed for exploring advanced machine learning techniques, including transformers, graph machine learning, and hybrid systems that combine knowledge representation and machine learning.

This paper summarises the experimental setup and results of the first shared task on end-to-end (E2E) natural language generation (NLG) in spoken dialogue systems. Recent end-to-end generation systems are promising since they reduce the need for data annotation. However, they are currently limited to small, delexicalised datasets. The E2E NLG shared task aims to assess whether these novel approaches can generate better-quality output by learning from a dataset containing higher lexical richness, syntactic complexity and diverse discourse phenomena. We compare 62 systems submitted by 17 institutions, covering a wide range of approaches, including machine learning architectures -- with the majority implementing sequence-to-sequence models (seq2seq) -- as well as systems based on grammatical rules and templates.

Detecting out-of-distribution (OOD) data is crucial in machine learning applications to mitigate the risk of model overconfidence, thereby enhancing the reliability and safety of deployed systems. The majority of existing OOD detection methods predominantly address uni-modal inputs, such as images or texts. In the context of multi-modal documents, there is a notable lack of extensive research on the performance of these methods, which have primarily been developed with a focus on computer vision tasks. We propose a novel methodology termed as attention head masking (AHM) for multi-modal OOD tasks in document classification systems. Our empirical results demonstrate that the proposed AHM method outperforms all state-of-the-art approaches and significantly decreases the false positive rate (FPR) compared to existing solutions up to 7.5\%. This methodology generalizes well to multi-modal data, such as documents, where visual and textual information are modeled under the same Transformer architecture. To address the scarcity of high-quality publicly available document datasets and encourage further research on OOD detection for documents, we introduce FinanceDocs, a new document AI dataset. Our code and dataset are publicly available.

The research described in this paper concerns automatic cyberbullying detection in social media. There are two goals to achieve: building a gold standard cyberbullying detection dataset and measuring the performance of the Samurai cyberbullying detection system. The Formspring dataset provided in a Kaggle competition was re-annotated as a part of the research. The annotation procedure is described in detail and, unlike many other recent data annotation initiatives, does not use Mechanical Turk for finding people willing to perform the annotation. The new annotation compared to the old one seems to be more coherent since all tested cyberbullying detection system performed better on the former. The performance of the Samurai system is compared with 5 commercial systems and one well-known machine learning algorithm, used for classifying textual content, namely Fasttext. It turns out that Samurai scores the best in all measures (accuracy, precision and recall), while Fasttext is the second-best performing algorithm.

Maximizing a monotone submodular function under cardinality constraint k is a core problem in machine learning and database with many basic applications, including video and data summarization, recommendation systems, feature extraction, exemplar clustering, and coverage problems. We study this classic problem in the fully dynamic model where a stream of insertions and deletions of elements of an underlying ground set is given and the goal is to maintain an approximate solution using a fast update time. A recent paper at NeurIPS'20 by Lattanzi, Mitrovic, Norouzi{-}Fard, Tarnawski, Zadimoghaddam claims to obtain a dynamic algorithm for this problem with a 1{2} -epsilon approximation ratio and a query complexity bounded by poly(log(n),log(k),epsilon^{-1}). However, as we explain in this paper, the analysis has some important gaps. Having a dynamic algorithm for the problem with polylogarithmic update time is even more important in light of a recent result by Chen and Peng at STOC'22 who show a matching lower bound for the problem -- any randomized algorithm with a 1{2}+epsilon approximation ratio must have an amortized query complexity that is polynomial in n. In this paper, we develop a simpler algorithm for the problem that maintains a (1{2}-epsilon)-approximate solution for submodular maximization under cardinality constraint k using a polylogarithmic amortized update time.

Computational microscopy, in which hardware and algorithms of an imaging system are jointly designed, shows promise for making imaging systems that cost less, perform more robustly, and collect new types of information. Often, the performance of computational imaging systems, especially those that incorporate machine learning, is sample-dependent. Thus, standardized datasets are an essential tool for comparing the performance of different approaches. Here, we introduce the Berkeley Single Cell Computational Microscopy (BSCCM) dataset, which contains over ~12,000,000 images of 400,000 of individual white blood cells. The dataset contains images captured with multiple illumination patterns on an LED array microscope and fluorescent measurements of the abundance of surface proteins that mark different cell types. We hope this dataset will provide a valuable resource for the development and testing of new algorithms in computational microscopy and computer vision with practical biomedical applications.

When applying quantum computing to machine learning tasks, one of the first considerations is the design of the quantum machine learning model itself. Conventionally, the design of quantum machine learning algorithms relies on the ``quantisation" of classical learning algorithms, such as using quantum linear algebra to implement important subroutines of classical algorithms, if not the entire algorithm, seeking to achieve quantum advantage through possible run-time accelerations brought by quantum computing. However, recent research has started questioning whether quantum advantage via speedup is the right goal for quantum machine learning [1]. Research also has been undertaken to exploit properties that are unique to quantum systems, such as quantum contextuality, to better design quantum machine learning models [2]. In this paper, we take an alternative approach by incorporating the heuristics and empirical evidences from the design of classical deep learning algorithms to the design of quantum neural networks. We first construct a model based on the data reuploading circuit [3] with the quantum Hamiltonian data embedding unitary [4]. Through numerical experiments on images datasets, including the famous MNIST and FashionMNIST datasets, we demonstrate that our model outperforms the quantum convolutional neural network (QCNN)[5] by a large margin (up to over 40% on MNIST test set). Based on the model design process and numerical results, we then laid out six principles for designing quantum machine learning models, especially quantum neural networks.

In this study, we propose a multi branched network approach to predict the dynamics of a physics attractor characterized by intricate and chaotic behavior. We introduce a unique neural network architecture comprised of Radial Basis Function (RBF) layers combined with an attention mechanism designed to effectively capture nonlinear inter-dependencies inherent in the attractor's temporal evolution. Our results demonstrate successful prediction of the attractor's trajectory across 100 predictions made using a real-world dataset of 36,700 time-series observations encompassing approximately 28 minutes of activity. To further illustrate the performance of our proposed technique, we provide comprehensive visualizations depicting the attractor's original and predicted behaviors alongside quantitative measures comparing observed versus estimated outcomes. Overall, this work showcases the potential of advanced machine learning algorithms in elucidating hidden structures in complex physical systems while offering practical applications in various domains requiring accurate short-term forecasting capabilities.

The accelerated adoption of digital pathology and advances in deep learning have enabled the development of powerful models for various pathology tasks across a diverse array of diseases and patient cohorts. However, model training is often difficult due to label scarcity in the medical domain and the model's usage is limited by the specific task and disease for which it is trained. Additionally, most models in histopathology leverage only image data, a stark contrast to how humans teach each other and reason about histopathologic entities. We introduce CONtrastive learning from Captions for Histopathology (CONCH), a visual-language foundation model developed using diverse sources of histopathology images, biomedical text, and notably over 1.17 million image-caption pairs via task-agnostic pretraining. Evaluated on a suite of 13 diverse benchmarks, CONCH can be transferred to a wide range of downstream tasks involving either or both histopathology images and text, achieving state-of-the-art performance on histology image classification, segmentation, captioning, text-to-image and image-to-text retrieval. CONCH represents a substantial leap over concurrent visual-language pretrained systems for histopathology, with the potential to directly facilitate a wide array of machine learning-based workflows requiring minimal or no further supervised fine-tuning.

There has been a rapidly growing interest in Automatic Symptom Detection (ASD) and Automatic Diagnosis (AD) systems in the machine learning research literature, aiming to assist doctors in telemedicine services. These systems are designed to interact with patients, collect evidence about their symptoms and relevant antecedents, and possibly make predictions about the underlying diseases. Doctors would review the interactions, including the evidence and the predictions, collect if necessary additional information from patients, before deciding on next steps. Despite recent progress in this area, an important piece of doctors' interactions with patients is missing in the design of these systems, namely the differential diagnosis. Its absence is largely due to the lack of datasets that include such information for models to train on. In this work, we present a large-scale synthetic dataset of roughly 1.3 million patients that includes a differential diagnosis, along with the ground truth pathology, symptoms and antecedents for each patient. Unlike existing datasets which only contain binary symptoms and antecedents, this dataset also contains categorical and multi-choice symptoms and antecedents useful for efficient data collection. Moreover, some symptoms are organized in a hierarchy, making it possible to design systems able to interact with patients in a logical way. As a proof-of-concept, we extend two existing AD and ASD systems to incorporate the differential diagnosis, and provide empirical evidence that using differentials as training signals is essential for the efficiency of such systems or for helping doctors better understand the reasoning of those systems.

We present POTATO, a task- and languageindependent framework for human-in-the-loop (HITL) learning of rule-based text classifiers using graph-based features. POTATO handles any type of directed graph and supports parsing text into Abstract Meaning Representations (AMR), Universal Dependencies (UD), and 4lang semantic graphs. A streamlit-based user interface allows users to build rule systems from graph patterns, provides real-time evaluation based on ground truth data, and suggests rules by ranking graph features using interpretable machine learning models. Users can also provide patterns over graphs using regular expressions, and POTATO can recommend refinements of such rules. POTATO is applied in projects across domains and languages, including classification tasks on German legal text and English social media data. All components of our system are written in Python, can be installed via pip, and are released under an MIT License on GitHub.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Discovering novel high-entropy alloys (HEAs) with desirable properties is challenging due to the vast compositional space and complex phase formation mechanisms. Efficient exploration of this space requires a strategic approach that integrates heterogeneous knowledge sources. Here, we propose a framework that systematically combines knowledge extracted from computational material datasets with domain knowledge distilled from scientific literature using large language models (LLMs). A central feature of this approach is the explicit consideration of element substitutability, identifying chemically similar elements that can be interchanged to potentially stabilize desired HEAs. Dempster-Shafer theory, a mathematical framework for reasoning under uncertainty, is employed to model and combine substitutabilities based on aggregated evidence from multiple sources. The framework predicts the phase stability of candidate HEA compositions and is systematically evaluated on both quaternary alloy systems, demonstrating superior performance compared to baseline machine learning models and methods reliant on single-source evidence in cross-validation experiments. By leveraging multi-source knowledge, the framework retains robust predictive power even when key elements are absent from the training data, underscoring its potential for knowledge transfer and extrapolation. Furthermore, the enhanced interpretability of the methodology offers insights into the fundamental factors governing HEA formation. Overall, this work provides a promising strategy for accelerating HEA discovery by integrating computational and textual knowledge sources, enabling efficient exploration of vast compositional spaces with improved generalization and interpretability.

Recent years have seen a surge in the popularity of commercial AI products based on generative, multi-purpose AI systems promising a unified approach to building machine learning (ML) models into technology. However, this ambition of "generality" comes at a steep cost to the environment, given the amount of energy these systems require and the amount of carbon that they emit. In this work, we propose the first systematic comparison of the ongoing inference cost of various categories of ML systems, covering both task-specific (i.e. finetuned models that carry out a single task) and `general-purpose' models, (i.e. those trained for multiple tasks). We measure deployment cost as the amount of energy and carbon required to perform 1,000 inferences on representative benchmark dataset using these models. We find that multi-purpose, generative architectures are orders of magnitude more expensive than task-specific systems for a variety of tasks, even when controlling for the number of model parameters. We conclude with a discussion around the current trend of deploying multi-purpose generative ML systems, and caution that their utility should be more intentionally weighed against increased costs in terms of energy and emissions. All the data from our study can be accessed via an interactive demo to carry out further exploration and analysis.

Partial Differential Equations are foundational in modeling science and natural systems such as fluid dynamics and weather forecasting. The Latent Evolution of PDEs method is designed to address the computational intensity of classical and deep learning-based PDE solvers by proposing a scalable and efficient alternative. To enhance the efficiency and accuracy of LE-PDE, we incorporate the Mamba model, an advanced machine learning model known for its predictive efficiency and robustness in handling complex dynamic systems with a progressive learning strategy. The LE-PDE was tested on several benchmark problems. The method demonstrated a marked reduction in computational time compared to traditional solvers and standalone deep learning models while maintaining high accuracy in predicting system behavior over time. Our method doubles the inference speed compared to the LE-PDE while retaining the same level of parameter efficiency, making it well-suited for scenarios requiring long-term predictions.

We introduce the concept of "universal password model" -- a password model that, once pre-trained, can automatically adapt its guessing strategy based on the target system. To achieve this, the model does not need to access any plaintext passwords from the target credentials. Instead, it exploits users' auxiliary information, such as email addresses, as a proxy signal to predict the underlying password distribution. Specifically, the model uses deep learning to capture the correlation between the auxiliary data of a group of users (e.g., users of a web application) and their passwords. It then exploits those patterns to create a tailored password model for the target system at inference time. No further training steps, targeted data collection, or prior knowledge of the community's password distribution is required. Besides improving over current password strength estimation techniques and attacks, the model enables any end-user (e.g., system administrators) to autonomously generate tailored password models for their systems without the often unworkable requirements of collecting suitable training data and fitting the underlying machine learning model. Ultimately, our framework enables the democratization of well-calibrated password models to the community, addressing a major challenge in the deployment of password security solutions at scale.

With the growth of the Internet of Things and the rise of Big Data, data processing and machine learning applications are being moved to cheap and low size, weight, and power (SWaP) devices at the edge, often in the form of mobile phones, embedded systems, or microcontrollers. The field of Cyber-Physical Measurements and Signature Intelligence (MASINT) makes use of these devices to analyze and exploit data in ways not otherwise possible, which results in increased data quality, increased security, and decreased bandwidth. However, methods to train and deploy models at the edge are limited, and models with sufficient accuracy are often too large for the edge device. Therefore, there is a clear need for techniques to create efficient AI/ML at the edge. This work presents training techniques for audio models in the field of environmental sound classification at the edge. Specifically, we design and train Transformers to classify office sounds in audio clips. Results show that a BERT-based Transformer, trained on Mel spectrograms, can outperform a CNN using 99.85% fewer parameters. To achieve this result, we first tested several audio feature extraction techniques designed for Transformers, using ESC-50 for evaluation, along with various augmentations. Our final model outperforms the state-of-the-art MFCC-based CNN on the office sounds dataset, using just over 6,000 parameters -- small enough to run on a microcontroller.

We demonstrate the potential of few-shot translation systems, trained with unpaired language data, for both high and low-resource language pairs. We show that with only 5 examples of high-quality translation data shown at inference, a transformer decoder-only model trained solely with self-supervised learning, is able to match specialized supervised state-of-the-art models as well as more general commercial translation systems. In particular, we outperform the best performing system on the WMT'21 English - Chinese news translation task by only using five examples of English - Chinese parallel data at inference. Moreover, our approach in building these models does not necessitate joint multilingual training or back-translation, is conceptually simple and shows the potential to extend to the multilingual setting. Furthermore, the resulting models are two orders of magnitude smaller than state-of-the-art language models. We then analyze the factors which impact the performance of few-shot translation systems, and highlight that the quality of the few-shot demonstrations heavily determines the quality of the translations generated by our models. Finally, we show that the few-shot paradigm also provides a way to control certain attributes of the translation -- we show that we are able to control for regional varieties and formality using only a five examples at inference, paving the way towards controllable machine translation systems.

This paper describes our system developed for SemEval-2024 Task 8, "Multigenerator, Multidomain, and Multilingual Black-Box Machine-Generated Text Detection." Machine-generated texts have been one of the main concerns due to the use of large language models (LLM) in fake text generation, phishing, cheating in exams, or even plagiarizing copyright materials. A lot of systems have been developed to detect machine-generated text. Nonetheless, the majority of these systems rely on the text-generating model, a limitation that is impractical in real-world scenarios, as it's often impossible to know which specific model the user has used for text generation. In this work, we propose a single model based on contrastive learning, which uses ~40% of the baseline's parameters (149M vs. 355M) but shows a comparable performance on the test dataset (21st out of 137 participants). Our key finding is that even without an ensemble of multiple models, a single base model can have comparable performance with the help of data augmentation and contrastive learning.

Large language models (LLMs) are a promising avenue for machine translation (MT). However, current LLM-based MT systems are brittle: their effectiveness highly depends on the choice of few-shot examples and they often require extra post-processing due to overgeneration. Alternatives such as finetuning on translation instructions are computationally expensive and may weaken in-context learning capabilities, due to overspecialization. In this paper, we provide a closer look at this problem. We start by showing that adapter-based finetuning with LoRA matches the performance of traditional finetuning while reducing the number of training parameters by a factor of 50. This method also outperforms few-shot prompting and eliminates the need for post-processing or in-context examples. However, we show that finetuning generally degrades few-shot performance, hindering adaptation capabilities. Finally, to obtain the best of both worlds, we propose a simple approach that incorporates few-shot examples during finetuning. Experiments on 10 language pairs show that our proposed approach recovers the original few-shot capabilities while keeping the added benefits of finetuning.

Gender bias is a significant issue in machine translation, leading to ongoing research efforts in developing bias mitigation techniques. However, most works focus on debiasing bilingual models without much consideration for multilingual systems. In this paper, we specifically target the gender bias issue of multilingual machine translation models for unambiguous cases where there is a single correct translation, and propose a bias mitigation method based on a novel approach. Specifically, we propose Gender-Aware Contrastive Learning, GACL, which encodes contextual gender information into the representations of non-explicit gender words. Our method is target language-agnostic and is applicable to pre-trained multilingual machine translation models via fine-tuning. Through multilingual evaluation, we show that our approach improves gender accuracy by a wide margin without hampering translation performance. We also observe that incorporated gender information transfers and benefits other target languages regarding gender accuracy. Finally, we demonstrate that our method is applicable and beneficial to models of various sizes.

Persuasion dialogue systems reflect the machine's ability to make strategic moves beyond verbal communication, and therefore differentiate themselves from task-oriented or open-domain dialogue systems and have their own unique values. However, the repetition and inconsistency problems still persist in dialogue response generation and could substantially impact user experience and impede the persuasion outcome. Besides, although reinforcement learning (RL) approaches have achieved big success in strategic tasks such as games, they require a sophisticated user simulator to provide real-time feedback to the dialogue system, which limits the application of RL on persuasion dialogues. To address these issues towards a better persuasion dialogue system, we apply RL to refine a language model baseline without user simulators, and distill sentence-level information about repetition, inconsistency, and task relevance through rewards. Moreover, to better accomplish the persuasion task, the model learns from human demonstration to imitate human persuasion behavior and selects the most persuasive responses. Experiments show that our model outperforms previous state-of-the-art dialogue models on both automatic metrics and human evaluation results on a donation persuasion task, and generates more diverse, consistent and persuasive conversations according to the user feedback.

Multi-agent systems often require agents to collaborate with or compete against other agents with diverse goals, behaviors, or strategies. Agent modeling is essential when designing adaptive policies for intelligent machine agents in multiagent systems, as this is the means by which the ego agent understands other agents' behavior and extracts their meaningful policy representations. These representations can be used to enhance the ego agent's adaptive policy which is trained by reinforcement learning. However, existing agent modeling approaches typically assume the availability of local observations from other agents (modeled agents) during training or a long observation trajectory for policy adaption. To remove these constrictive assumptions and improve agent modeling performance, we devised a Contrastive Learning-based Agent Modeling (CLAM) method that relies only on the local observations from the ego agent during training and execution. With these observations, CLAM is capable of generating consistent high-quality policy representations in real-time right from the beginning of each episode. We evaluated the efficacy of our approach in both cooperative and competitive multi-agent environments. Our experiments demonstrate that our approach achieves state-of-the-art on both cooperative and competitive tasks, highlighting the potential of contrastive learning-based agent modeling for enhancing reinforcement learning.

Consistency is a key requirement of high-quality translation. It is especially important to adhere to pre-approved terminology and adapt to corrected translations in domain-specific projects. Machine translation (MT) has achieved significant progress in the area of domain adaptation. However, real-time adaptation remains challenging. Large-scale language models (LLMs) have recently shown interesting capabilities of in-context learning, where they learn to replicate certain input-output text generation patterns, without further fine-tuning. By feeding an LLM at inference time with a prompt that consists of a list of translation pairs, it can then simulate the domain and style characteristics. This work aims to investigate how we can utilize in-context learning to improve real-time adaptive MT. Our extensive experiments show promising results at translation time. For example, LLMs can adapt to a set of in-domain sentence pairs and/or terminology while translating a new sentence. We observe that the translation quality with few-shot in-context learning can surpass that of strong encoder-decoder MT systems, especially for high-resource languages. Moreover, we investigate whether we can combine MT from strong encoder-decoder models with fuzzy matches, which can further improve translation quality, especially for less supported languages. We conduct our experiments across five diverse language pairs, namely English-to-Arabic (EN-AR), English-to-Chinese (EN-ZH), English-to-French (EN-FR), English-to-Kinyarwanda (EN-RW), and English-to-Spanish (EN-ES).

OpenNMT is an open-source toolkit for neural machine translation (NMT). The system prioritizes efficiency, modularity, and extensibility with the goal of supporting NMT research into model architectures, feature representations, and source modalities, while maintaining competitive performance and reasonable training requirements. The toolkit consists of modeling and translation support, as well as detailed pedagogical documentation about the underlying techniques. OpenNMT has been used in several production MT systems, modified for numerous research papers, and is implemented across several deep learning frameworks.

Neural Machine Translation (NMT) is an end-to-end learning approach for automated translation, with the potential to overcome many of the weaknesses of conventional phrase-based translation systems. Unfortunately, NMT systems are known to be computationally expensive both in training and in translation inference. Also, most NMT systems have difficulty with rare words. These issues have hindered NMT's use in practical deployments and services, where both accuracy and speed are essential. In this work, we present GNMT, Google's Neural Machine Translation system, which attempts to address many of these issues. Our model consists of a deep LSTM network with 8 encoder and 8 decoder layers using attention and residual connections. To improve parallelism and therefore decrease training time, our attention mechanism connects the bottom layer of the decoder to the top layer of the encoder. To accelerate the final translation speed, we employ low-precision arithmetic during inference computations. To improve handling of rare words, we divide words into a limited set of common sub-word units ("wordpieces") for both input and output. This method provides a good balance between the flexibility of "character"-delimited models and the efficiency of "word"-delimited models, naturally handles translation of rare words, and ultimately improves the overall accuracy of the system. Our beam search technique employs a length-normalization procedure and uses a coverage penalty, which encourages generation of an output sentence that is most likely to cover all the words in the source sentence. On the WMT'14 English-to-French and English-to-German benchmarks, GNMT achieves competitive results to state-of-the-art. Using a human side-by-side evaluation on a set of isolated simple sentences, it reduces translation errors by an average of 60% compared to Google's phrase-based production system.

Cherokee is a highly endangered Native American language spoken by the Cherokee people. The Cherokee culture is deeply embedded in its language. However, there are approximately only 2,000 fluent first language Cherokee speakers remaining in the world, and the number is declining every year. To help save this endangered language, we introduce ChrEn, a Cherokee-English parallel dataset, to facilitate machine translation research between Cherokee and English. Compared to some popular machine translation language pairs, ChrEn is extremely low-resource, only containing 14k sentence pairs in total. We split our parallel data in ways that facilitate both in-domain and out-of-domain evaluation. We also collect 5k Cherokee monolingual data to enable semi-supervised learning. Besides these datasets, we propose several Cherokee-English and English-Cherokee machine translation systems. We compare SMT (phrase-based) versus NMT (RNN-based and Transformer-based) systems; supervised versus semi-supervised (via language model, back-translation, and BERT/Multilingual-BERT) methods; as well as transfer learning versus multilingual joint training with 4 other languages. Our best results are 15.8/12.7 BLEU for in-domain and 6.5/5.0 BLEU for out-of-domain Chr-En/EnChr translations, respectively, and we hope that our dataset and systems will encourage future work by the community for Cherokee language revitalization. Our data, code, and demo will be publicly available at https://github.com/ZhangShiyue/ChrEn

We give an overview of recent exciting achievements of deep reinforcement learning (RL). We discuss six core elements, six important mechanisms, and twelve applications. We start with background of machine learning, deep learning and reinforcement learning. Next we discuss core RL elements, including value function, in particular, Deep Q-Network (DQN), policy, reward, model, planning, and exploration. After that, we discuss important mechanisms for RL, including attention and memory, unsupervised learning, transfer learning, multi-agent RL, hierarchical RL, and learning to learn. Then we discuss various applications of RL, including games, in particular, AlphaGo, robotics, natural language processing, including dialogue systems, machine translation, and text generation, computer vision, neural architecture design, business management, finance, healthcare, Industry 4.0, smart grid, intelligent transportation systems, and computer systems. We mention topics not reviewed yet, and list a collection of RL resources. After presenting a brief summary, we close with discussions. Please see Deep Reinforcement Learning, arXiv:1810.06339, for a significant update.

Automated machine learning (AutoML) is the sub-field of machine learning that aims at automating, to some extend, all stages of the design of a machine learning system. In the context of supervised learning, AutoML is concerned with feature extraction, pre processing, model design and post processing. Major contributions and achievements in AutoML have been taking place during the recent decade. We are therefore in perfect timing to look back and realize what we have learned. This chapter aims to summarize the main findings in the early years of AutoML. More specifically, in this chapter an introduction to AutoML for supervised learning is provided and an historical review of progress in this field is presented. Likewise, the main paradigms of AutoML are described and research opportunities are outlined.

Learning from human preferences is crucial for language models (LMs) to effectively cater to human needs and societal values. Previous research has made notable progress by leveraging human feedback to follow instructions. However, these approaches rely primarily on online reinforcement learning (RL) techniques like Proximal Policy Optimization (PPO), which have been proven unstable and challenging to tune for language models. Moreover, PPO requires complex distributed system implementation, hindering the efficiency of large-scale distributed training. In this study, we propose an offline reinforcement learning from human feedback (RLHF) framework to align LMs using pre-generated samples without interacting with RL environments. Specifically, we explore maximum likelihood estimation (MLE) with filtering, reward-weighted regression (RWR), and Decision Transformer (DT) to align language models to human preferences. By employing a loss function similar to supervised fine-tuning, our methods ensure more stable model training than PPO with a simple machine learning system~(MLSys) and much fewer (around 12.3\%) computing resources. Experimental results demonstrate the DT alignment outperforms other Offline RLHF methods and is better than PPO.

A machine learning system can score well on a given test set by relying on heuristics that are effective for frequent example types but break down in more challenging cases. We study this issue within natural language inference (NLI), the task of determining whether one sentence entails another. We hypothesize that statistical NLI models may adopt three fallible syntactic heuristics: the lexical overlap heuristic, the subsequence heuristic, and the constituent heuristic. To determine whether models have adopted these heuristics, we introduce a controlled evaluation set called HANS (Heuristic Analysis for NLI Systems), which contains many examples where the heuristics fail. We find that models trained on MNLI, including BERT, a state-of-the-art model, perform very poorly on HANS, suggesting that they have indeed adopted these heuristics. We conclude that there is substantial room for improvement in NLI systems, and that the HANS dataset can motivate and measure progress in this area

Exchanging gradients is a widely used method in modern multi-node machine learning system (e.g., distributed training, collaborative learning). For a long time, people believed that gradients are safe to share: i.e., the training data will not be leaked by gradient exchange. However, we show that it is possible to obtain the private training data from the publicly shared gradients. We name this leakage as Deep Leakage from Gradient and empirically validate the effectiveness on both computer vision and natural language processing tasks. Experimental results show that our attack is much stronger than previous approaches: the recovery is pixel-wise accurate for images and token-wise matching for texts. We want to raise people's awareness to rethink the gradient's safety. Finally, we discuss several possible strategies to prevent such deep leakage. The most effective defense method is gradient pruning.

Data representation is a fundamental task in machine learning. The representation of data affects the performance of the whole machine learning system. In a long history, the representation of data is done by feature engineering, and researchers aim at designing better features for specific tasks. Recently, the rapid development of deep learning and representation learning has brought new inspiration to various domains. In natural language processing, the most widely used feature representation is the Bag-of-Words model. This model has the data sparsity problem and cannot keep the word order information. Other features such as part-of-speech tagging or more complex syntax features can only fit for specific tasks in most cases. This thesis focuses on word representation and document representation. We compare the existing systems and present our new model. First, for generating word embeddings, we make comprehensive comparisons among existing word embedding models. In terms of theory, we figure out the relationship between the two most important models, i.e., Skip-gram and GloVe. In our experiments, we analyze three key points in generating word embeddings, including the model construction, the training corpus and parameter design. We evaluate word embeddings with three types of tasks, and we argue that they cover the existing use of word embeddings. Through theory and practical experiments, we present some guidelines for how to generate a good word embedding. Second, in Chinese character or word representation. We introduce the joint training of Chinese character and word. ... Third, for document representation, we analyze the existing document representation models, including recursive NNs, recurrent NNs and convolutional NNs. We point out the drawbacks of these models and present our new model, the recurrent convolutional neural networks. ...

Ever since their conception, Transformers have taken over traditional sequence models in many tasks, such as NLP, image classification, and video/audio processing, for their fast training and superior performance. Much of the merit is attributable to positional encoding and multi-head attention. However, Transformers fall short in learning long-range dependencies mainly due to the quadratic complexity scaled with context length, in terms of both time and space. Consequently, over the past five years, a myriad of methods has been proposed to make Transformers more efficient. In this work, we first take a step back, study and compare existing solutions to long-sequence modeling in terms of their pure mathematical formulation. Specifically, we summarize them using a unified template, given their shared nature of token mixing. Through benchmarks, we then demonstrate that long context length does yield better performance, albeit application-dependent, and traditional Transformer models fall short in taking advantage of long-range dependencies. Next, inspired by emerging sparse models of huge capacity, we propose a machine learning system for handling million-scale dependencies. As a proof of concept, we evaluate the performance of one essential component of this system, namely, the distributed multi-head attention. We show that our algorithm can scale up attention computation by almost 40times using four GeForce RTX 4090 GPUs, compared to vanilla multi-head attention mechanism. We believe this study is an instrumental step towards modeling million-scale dependencies.

Over the past few years, due to the rapid development of machine learning (ML) models for weather forecasting, state-of-the-art ML models have shown superior performance compared to the European Centre for Medium-Range Weather Forecasts (ECMWF)'s high-resolution forecast (HRES) in 10-day forecasts at a spatial resolution of 0.25 degree. However, the challenge remains to perform comparably to the ECMWF ensemble mean (EM) in 15-day forecasts. Previous studies have demonstrated the importance of mitigating the accumulation of forecast errors for effective long-term forecasts. Despite numerous efforts to reduce accumulation errors, including autoregressive multi-time step loss, using a single model is found to be insufficient to achieve optimal performance in both short and long lead times. Therefore, we present FuXi, a cascaded ML weather forecasting system that provides 15-day global forecasts with a temporal resolution of 6 hours and a spatial resolution of 0.25 degree. FuXi is developed using 39 years of the ECMWF ERA5 reanalysis dataset. The performance evaluation, based on latitude-weighted root mean square error (RMSE) and anomaly correlation coefficient (ACC), demonstrates that FuXi has comparable forecast performance to ECMWF EM in 15-day forecasts, making FuXi the first ML-based weather forecasting system to accomplish this achievement.

Internet is one of the important inventions and a large number of persons are its users. These persons use this for different purposes. There are different social media platforms that are accessible to these users. Any user can make a post or spread the news through the online platforms. These platforms do not verify the users or their posts. So some of the users try to spread fake news through these platforms. These news can be propaganda against an individual, society, organization or political party. A human being is unable to detect all these fake news. So there is a need for machine learning classifiers that can detect these fake news automatically. Use of machine learning classifiers for detecting fake news is described in this systematic literature review.

Obesity, the leading cause of many non-communicable diseases, occurs mainly for eating more than our body requirements and lack of proper activity. So, being healthy requires heathy diet plans, especially for patients with comorbidities. But it is difficult to figure out the exact quantity of each nutrient because nutrients requirement varies based on physical and disease conditions. In our study we proposed a novel machine learning based system to predict the amount of nutrients one individual requires for being healthy. We applied different machine learning algorithms: linear regression, support vector machine (SVM), decision tree, random forest, XGBoost, LightGBM on fluid and 3 other major micronutrients: carbohydrate, protein, fat consumption prediction. We achieved high accuracy with low root mean square error (RMSE) by using linear regression in fluid prediction, random forest in carbohydrate prediction and LightGBM in protein and fat prediction. We believe our diet recommender system, OBESEYE, is the only of its kind which recommends diet with the consideration of comorbidities and physical conditions and promote encouragement to get rid of obesity.

Modern machine learning requires system designers to specify aspects of the learning pipeline, such as losses, architectures, and optimizers. Meta-learning, or learning-to-learn, instead aims to learn those aspects, and promises to unlock greater capabilities with less manual effort. One particularly ambitious goal of meta-learning is to train general-purpose in-context learning algorithms from scratch, using only black-box models with minimal inductive bias. Such a model takes in training data, and produces test-set predictions across a wide range of problems, without any explicit definition of an inference model, training loss, or optimization algorithm. In this paper we show that Transformers and other black-box models can be meta-trained to act as general-purpose in-context learners. We characterize transitions between algorithms that generalize, algorithms that memorize, and algorithms that fail to meta-train at all, induced by changes in model size, number of tasks, and meta-optimization. We further show that the capabilities of meta-trained algorithms are bottlenecked by the accessible state size (memory) determining the next prediction, unlike standard models which are thought to be bottlenecked by parameter count. Finally, we propose practical interventions such as biasing the training distribution that improve the meta-training and meta-generalization of general-purpose in-context learning algorithms.

Despite decades of clinical research, sepsis remains a global public health crisis with high mortality, and morbidity. Currently, when sepsis is detected and the underlying pathogen is identified, organ damage may have already progressed to irreversible stages. Effective sepsis management is therefore highly time-sensitive. By systematically analysing trends in the plethora of clinical data available in the intensive care unit (ICU), an early prediction of sepsis could lead to earlier pathogen identification, resistance testing, and effective antibiotic and supportive treatment, and thereby become a life-saving measure. Here, we developed and validated a machine learning (ML) system for the prediction of sepsis in the ICU. Our analysis represents the largest multi-national, multi-centre in-ICU study for sepsis prediction using ML to date. Our dataset contains 156,309 unique ICU admissions, which represent a refined and harmonised subset of five large ICU databases originating from three countries. Using the international consensus definition Sepsis-3, we derived hourly-resolved sepsis label annotations, amounting to 26,734 (17.1%) septic stays. We compared our approach, a deep self-attention model, to several clinical baselines as well as ML baselines and performed an extensive internal and external validation within and across databases. On average, our model was able to predict sepsis with an AUROC of 0.847 pm 0.050 (internal out-of sample validation) and 0.761 pm 0.052 (external validation). For a harmonised prevalence of 17%, at 80% recall our model detects septic patients with 39% precision 3.7 hours in advance.

In this work, we propose an Automated Machine Learning (AutoML) system to search for models not only with good prediction accuracy but also fair. We first investigate the necessity and impact of unfairness mitigation in the AutoML context. We establish the FairAutoML framework. The framework provides a novel design based on pragmatic abstractions, which makes it convenient to incorporate existing fairness definitions, unfairness mitigation techniques, and hyperparameter search methods into the model search and evaluation process. Following this framework, we develop a fair AutoML system based on an existing AutoML system. The augmented system includes a resource allocation strategy to dynamically decide when and on which models to conduct unfairness mitigation according to the prediction accuracy, fairness, and resource consumption on the fly. Extensive empirical evaluation shows that our system can achieve a good `fair accuracy' and high resource efficiency.

Despite the tremendous success, existing machine learning models still fall short of human-like systematic generalization -- learning compositional rules from limited data and applying them to unseen combinations in various domains. We propose Neural-Symbolic Recursive Machine (NSR) to tackle this deficiency. The core representation of NSR is a Grounded Symbol System (GSS) with combinatorial syntax and semantics, which entirely emerges from training data. Akin to the neuroscience studies suggesting separate brain systems for perceptual, syntactic, and semantic processing, NSR implements analogous separate modules of neural perception, syntactic parsing, and semantic reasoning, which are jointly learned by a deduction-abduction algorithm. We prove that NSR is expressive enough to model various sequence-to-sequence tasks. Superior systematic generalization is achieved via the inductive biases of equivariance and recursiveness embedded in NSR. In experiments, NSR achieves state-of-the-art performance in three benchmarks from different domains: SCAN for semantic parsing, PCFG for string manipulation, and HINT for arithmetic reasoning. Specifically, NSR achieves 100% generalization accuracy on SCAN and PCFG and outperforms state-of-the-art models on HINT by about 23%. Our NSR demonstrates stronger generalization than pure neural networks due to its symbolic representation and inductive biases. NSR also demonstrates better transferability than existing neural-symbolic approaches due to less domain-specific knowledge required.

The race to train language models on vast, diverse, and inconsistently documented datasets has raised pressing concerns about the legal and ethical risks for practitioners. To remedy these practices threatening data transparency and understanding, we convene a multi-disciplinary effort between legal and machine learning experts to systematically audit and trace 1800+ text datasets. We develop tools and standards to trace the lineage of these datasets, from their source, creators, series of license conditions, properties, and subsequent use. Our landscape analysis highlights the sharp divides in composition and focus of commercially open vs closed datasets, with closed datasets monopolizing important categories: lower resource languages, more creative tasks, richer topic variety, newer and more synthetic training data. This points to a deepening divide in the types of data that are made available under different license conditions, and heightened implications for jurisdictional legal interpretations of copyright and fair use. We also observe frequent miscategorization of licenses on widely used dataset hosting sites, with license omission of 72%+ and error rates of 50%+. This points to a crisis in misattribution and informed use of the most popular datasets driving many recent breakthroughs. As a contribution to ongoing improvements in dataset transparency and responsible use, we release our entire audit, with an interactive UI, the Data Provenance Explorer, which allows practitioners to trace and filter on data provenance for the most popular open source finetuning data collections: www.dataprovenance.org.

Machine learning practitioners often have access to a spectrum of data: labeled data for the target task (which is often limited), unlabeled data, and auxiliary data, the many available labeled datasets for other tasks. We describe TAGLETS, a system built to study techniques for automatically exploiting all three types of data and creating high-quality, servable classifiers. The key components of TAGLETS are: (1) auxiliary data organized according to a knowledge graph, (2) modules encapsulating different methods for exploiting auxiliary and unlabeled data, and (3) a distillation stage in which the ensembled modules are combined into a servable model. We compare TAGLETS with state-of-the-art transfer learning and semi-supervised learning methods on four image classification tasks. Our study covers a range of settings, varying the amount of labeled data and the semantic relatedness of the auxiliary data to the target task. We find that the intelligent incorporation of auxiliary and unlabeled data into multiple learning techniques enables TAGLETS to match-and most often significantly surpass-these alternatives. TAGLETS is available as an open-source system at github.com/BatsResearch/taglets.

This paper describes the development of an on-board data-driven system that can monitor and localize the fault in a quadrotor unmanned aerial vehicle (UAV) and at the same time, evaluate the degree of damage of the fault under real scenarios. To achieve offline training data generation, a hybrid approach is proposed for the development of a virtual data-generative model using a combination of data-driven models as well as well-established dynamic models that describe the kinematics of the UAV. To effectively represent the drop in performance of a faulty propeller, a variation of the deep neural network, a LSTM network is proposed. With the RPM of the propeller as input and based on the fault condition of the propeller, the proposed propeller model estimates the resultant torque and thrust. Then, flight datasets of the UAV under various fault scenarios are generated via simulation using the developed data-generative model. Lastly, a fault classifier using a CNN model is proposed to identify as well as evaluate the degree of damage to the damaged propeller. The scope of this paper focuses on the identification of faulty propellers and classification of the fault level for quadrotor UAVs using RPM as well as flight data. Doing so allows for early minor fault detection to prevent serious faults from occurring if the fault is left unrepaired. To further validate the workability of this approach outside of simulation, a real-flight test is conducted indoors. The real flight data is collected and a simulation to real sim-real test is conducted. Due to the imperfections in the build of our experimental UAV, a slight calibration approach to our simulation model is further proposed and the experimental results obtained show that our trained model can identify the location of propeller fault as well as the degree/type of damage. Currently, the diagnosis accuracy on the testing set is over 80%.

Machine learning on graphs has been extensively studied in both academic and industry. However, as the literature on graph learning booms with a vast number of emerging methods and techniques, it becomes increasingly difficult to manually design the optimal machine learning algorithm for different graph-related tasks. To solve this critical challenge, automated machine learning (AutoML) on graphs which combines the strength of graph machine learning and AutoML together, is gaining attention from the research community. Therefore, we comprehensively survey AutoML on graphs in this paper, primarily focusing on hyper-parameter optimization (HPO) and neural architecture search (NAS) for graph machine learning. We further overview libraries related to automated graph machine learning and in-depth discuss AutoGL, the first dedicated open-source library for AutoML on graphs. In the end, we share our insights on future research directions for automated graph machine learning. This paper is the first systematic and comprehensive review of automated machine learning on graphs to the best of our knowledge.

Human mobility has a significant impact on several layers of society, from infrastructural planning and economics to the spread of diseases and crime. Representing the system as a complex network, in which nodes are assigned to regions (e.g., a city) and links indicate the flow of people between two of them, physics-inspired models have been proposed to quantify the number of people migrating from one city to the other. Despite the advances made by these models, our ability to predict the number of commuters and reconstruct mobility networks remains limited. Here, we propose an alternative approach using machine learning and 22 urban indicators to predict the flow of people and reconstruct the intercity commuters network. Our results reveal that predictions based on machine learning algorithms and urban indicators can reconstruct the commuters network with 90.4% of accuracy and describe 77.6% of the variance observed in the flow of people between cities. We also identify essential features to recover the network structure and the urban indicators mostly related to commuting patterns. As previously reported, distance plays a significant role in commuting, but other indicators, such as Gross Domestic Product (GDP) and unemployment rate, are also driven-forces for people to commute. We believe that our results shed new lights on the modeling of migration and reinforce the role of urban indicators on commuting patterns. Also, because link-prediction and network reconstruction are still open challenges in network science, our results have implications in other areas, like economics, social sciences, and biology, where node attributes can give us information about the existence of links connecting entities in the network.

The San Andreas Fault system, known for its frequent seismic activity, provides an extensive dataset for earthquake studies. The region's well-instrumented seismic networks have been crucial in advancing research on earthquake statistics, physics, and subsurface Earth structures. In recent years, earthquake data from California has become increasingly valuable for deep learning applications, such as Generalized Phase Detection (GPD) for phase detection and polarity determination, and PhaseNet for phase arrival-time picking. The continuous accumulation of data, particularly those manually labeled by human analysts, serves as an essential resource for advancing both regional and global deep learning models. To support the continued development of machine learning and data mining studies, we have compiled a unified California Earthquake Event Dataset (CEED) that integrates seismic records from the Northern California Earthquake Data Center (NCEDC) and the Southern California Earthquake Data Center (SCEDC). The dataset includes both automatically and manually determined parameters such as earthquake origin time, source location, P/S phase arrivals, first-motion polarities, and ground motion intensity measurements. The dataset is organized in an event-based format organized by year spanning from 2000 to 2024, facilitating cross-referencing with event catalogs and enabling continuous updates in future years. This comprehensive open-access dataset is designed to support diverse applications including developing deep learning models, creating enhanced catalog products, and research into earthquake processes, fault zone structures, and seismic risks.

In Costa Rica, an average of 5 tons of seashells are extracted from ecosystems annually. Confiscated seashells, cannot be returned to their ecosystems due to the lack of origin recognition. To address this issue, we developed a convolutional neural network (CNN) specifically for seashell identification. We built a dataset from scratch, consisting of approximately 19000 images from the Pacific and Caribbean coasts. Using this dataset, the model achieved a classification accuracy exceeding 85%. The model has been integrated into a user-friendly application, which has classified over 36,000 seashells to date, delivering real-time results within 3 seconds per image. To further enhance the system's accuracy, an anomaly detection mechanism was incorporated to filter out irrelevant or anomalous inputs, ensuring only valid seashell images are processed.

Advancements in artificial intelligence, machine learning, and deep learning have catalyzed the transformation of big data analytics and management into pivotal domains for research and application. This work explores the theoretical foundations, methodological advancements, and practical implementations of these technologies, emphasizing their role in uncovering actionable insights from massive, high-dimensional datasets. The study presents a systematic overview of data preprocessing techniques, including data cleaning, normalization, integration, and dimensionality reduction, to prepare raw data for analysis. Core analytics methodologies such as classification, clustering, regression, and anomaly detection are examined, with a focus on algorithmic innovation and scalability. Furthermore, the text delves into state-of-the-art frameworks for data mining and predictive modeling, highlighting the role of neural networks, support vector machines, and ensemble methods in tackling complex analytical challenges. Special emphasis is placed on the convergence of big data with distributed computing paradigms, including cloud and edge computing, to address challenges in storage, computation, and real-time analytics. The integration of ethical considerations, including data privacy and compliance with global standards, ensures a holistic perspective on data management. Practical applications across healthcare, finance, marketing, and policy-making illustrate the real-world impact of these technologies. Through comprehensive case studies and Python-based implementations, this work equips researchers, practitioners, and data enthusiasts with the tools to navigate the complexities of modern data analytics. It bridges the gap between theory and practice, fostering the development of innovative solutions for managing and leveraging data in the era of artificial intelligence.

In this work we build a stack of machine learning models aimed at composing a state-of-the-art credit rating and default prediction system, obtaining excellent out-of-sample performances. Our approach is an excursion through the most recent ML / AI concepts, starting from natural language processes (NLP) applied to economic sectors' (textual) descriptions using embedding and autoencoders (AE), going through the classification of defaultable firms on the base of a wide range of economic features using gradient boosting machines (GBM) and calibrating their probabilities paying due attention to the treatment of unbalanced samples. Finally we assign credit ratings through genetic algorithms (differential evolution, DE). Model interpretability is achieved by implementing recent techniques such as SHAP and LIME, which explain predictions locally in features' space.

Learning and Artificial Intelligence (ML/AI) techniques have become increasingly prevalent in high performance computing (HPC). However, these methods depend on vast volumes of floating point data for training and validation which need methods to share the data on a wide area network (WAN) or to transfer it from edge devices to data centers. Data compression can be a solution to these problems, but an in-depth understanding of how lossy compression affects model quality is needed. Prior work largely considers a single application or compression method. We designed a systematic methodology for evaluating data reduction techniques for ML/AI, and we use it to perform a very comprehensive evaluation with 17 data reduction methods on 7 ML/AI applications to show modern lossy compression methods can achieve a 50-100x compression ratio improvement for a 1% or less loss in quality. We identify critical insights that guide the future use and design of lossy compressors for ML/AI.

Previous work has highlighted that existing post-hoc explanation methods exhibit disparities in explanation fidelity (across 'race' and 'gender' as sensitive attributes), and while a large body of work focuses on mitigating these issues at the explanation metric level, the role of the data generating process and black box model in relation to explanation disparities remains largely unexplored. Accordingly, through both simulations as well as experiments on a real-world dataset, we specifically assess challenges to explanation disparities that originate from properties of the data: limited sample size, covariate shift, concept shift, omitted variable bias, and challenges based on model properties: inclusion of the sensitive attribute and appropriate functional form. Through controlled simulation analyses, our study demonstrates that increased covariate shift, concept shift, and omission of covariates increase explanation disparities, with the effect pronounced higher for neural network models that are better able to capture the underlying functional form in comparison to linear models. We also observe consistent findings regarding the effect of concept shift and omitted variable bias on explanation disparities in the Adult income dataset. Overall, results indicate that disparities in model explanations can also depend on data and model properties. Based on this systematic investigation, we provide recommendations for the design of explanation methods that mitigate undesirable disparities.

Compartmentalization effectively prevents initial corruption from turning into a successful attack. This paper presents O2C, a pioneering system designed to enforce OS kernel compartmentalization on the fly. It not only provides immediate remediation for sudden threats but also maintains consistent system availability through the enforcement process. O2C is empowered by the newest advancements of the eBPF ecosystem which allows to instrument eBPF programs that perform enforcement actions into the kernel at runtime. O2C takes the lead in embedding a machine learning model into eBPF programs, addressing unique challenges in on-the-fly compartmentalization. Our comprehensive evaluation shows that O2C effectively confines damage within the compartment. Further, we validate that decision tree is optimally suited for O2C owing to its advantages in processing tabular data, its explainable nature, and its compliance with the eBPF ecosystem. Last but not least, O2C is lightweight, showing negligible overhead and excellent sacalability system-wide.

Quantum machine learning models have shown successful generalization performance even when trained with few data. In this work, through systematic randomization experiments, we show that traditional approaches to understanding generalization fail to explain the behavior of such quantum models. Our experiments reveal that state-of-the-art quantum neural networks accurately fit random states and random labeling of training data. This ability to memorize random data defies current notions of small generalization error, problematizing approaches that build on complexity measures such as the VC dimension, the Rademacher complexity, and all their uniform relatives. We complement our empirical results with a theoretical construction showing that quantum neural networks can fit arbitrary labels to quantum states, hinting at their memorization ability. Our results do not preclude the possibility of good generalization with few training data but rather rule out any possible guarantees based only on the properties of the model family. These findings expose a fundamental challenge in the conventional understanding of generalization in quantum machine learning and highlight the need for a paradigm shift in the design of quantum models for machine learning tasks.

We present our vision for developing an automated tool capable of translating visual properties observed in Machine Learning (ML) visualisations into Python assertions. The tool aims to streamline the process of manually verifying these visualisations in the ML development cycle, which is critical as real-world data and assumptions often change post-deployment. In a prior study, we mined 54,070 Jupyter notebooks from Github and created a catalogue of 269 semantically related visualisation-assertion (VA) pairs. Building on this catalogue, we propose to build a taxonomy that organises the VA pairs based on ML verification tasks. The input feature space comprises of a rich source of information mined from the Jupyter notebooks -- visualisations, Python source code, and associated markdown text. The effectiveness of various AI models, including traditional NLP4Code models and modern Large Language Models, will be compared using established machine translation metrics and evaluated through a qualitative study with human participants. The paper also plans to address the challenge of extending the existing VA pair dataset with additional pairs from Kaggle and to compare the tool's effectiveness with commercial generative AI models like ChatGPT. This research not only contributes to the field of ML system validation but also explores novel ways to leverage AI for automating and enhancing software engineering practices in ML.

We initiate a principled study of algorithmic collective action on digital platforms that deploy machine learning algorithms. We propose a simple theoretical model of a collective interacting with a firm's learning algorithm. The collective pools the data of participating individuals and executes an algorithmic strategy by instructing participants how to modify their own data to achieve a collective goal. We investigate the consequences of this model in three fundamental learning-theoretic settings: the case of a nonparametric optimal learning algorithm, a parametric risk minimizer, and gradient-based optimization. In each setting, we come up with coordinated algorithmic strategies and characterize natural success criteria as a function of the collective's size. Complementing our theory, we conduct systematic experiments on a skill classification task involving tens of thousands of resumes from a gig platform for freelancers. Through more than two thousand model training runs of a BERT-like language model, we see a striking correspondence emerge between our empirical observations and the predictions made by our theory. Taken together, our theory and experiments broadly support the conclusion that algorithmic collectives of exceedingly small fractional size can exert significant control over a platform's learning algorithm.

A suitable feature representation that can both preserve the data intrinsic information and reduce data complexity and dimensionality is key to the performance of machine learning models. Deeply rooted in algebraic topology, persistent homology (PH) provides a delicate balance between data simplification and intrinsic structure characterization, and has been applied to various areas successfully. However, the combination of PH and machine learning has been hindered greatly by three challenges, namely topological representation of data, PH-based distance measurements or metrics, and PH-based feature representation. With the development of topological data analysis, progresses have been made on all these three problems, but widely scattered in different literatures. In this paper, we provide a systematical review of PH and PH-based supervised and unsupervised models from a computational perspective. Our emphasizes are the recent development of mathematical models and tools, including PH softwares and PH-based functions, feature representations, kernels, and similarity models. Essentially, this paper can work as a roadmap for the practical application of PH-based machine learning tools. Further, we consider different topological feature representations in different machine learning models, and investigate their impacts on the protein secondary structure classification.

Machine learning research, crucial for technological advancements and innovation, often faces significant challenges due to its inherent complexity, slow pace of experimentation, and the necessity for specialized expertise. Motivated by this, we present a new systematic framework, autonomous Machine Learning Research with large language models (MLR-Copilot), designed to enhance machine learning research productivity through the automatic generation and implementation of research ideas using Large Language Model (LLM) agents. The framework consists of three phases: research idea generation, experiment implementation, and implementation execution. First, existing research papers are used to generate hypotheses and experimental plans vis IdeaAgent powered by LLMs. Next, the implementation generation phase translates these plans into executables with ExperimentAgent. This phase leverages retrieved prototype code and optionally retrieves candidate models and data. Finally, the execution phase, also managed by ExperimentAgent, involves running experiments with mechanisms for human feedback and iterative debugging to enhance the likelihood of achieving executable research outcomes. We evaluate our framework on five machine learning research tasks and the experimental results show the framework's potential to facilitate the research progress and innovations.

Active learning is able to reduce the amount of labelling effort by using a machine learning model to query the user for specific inputs. While there are many papers on new active learning techniques, these techniques rarely satisfy the constraints of a real-world project. In this paper, we analyse the main drawbacks of current active learning techniques and we present approaches to alleviate them. We do a systematic study on the effects of the most common issues of real-world datasets on the deep active learning process: model convergence, annotation error, and dataset imbalance. We derive two techniques that can speed up the active learning loop such as partial uncertainty sampling and larger query size. Finally, we present our open-source Bayesian active learning library, BaaL.

Analytical framework for predicting General Matrix Multiplication (GEMM) performance on modern GPUs, focusing on runtime, power consumption, and energy efficiency. Our study employs two approaches: a custom-implemented tiled matrix multiplication kernel for fundamental analysis, and NVIDIA's CUTLASS library for comprehensive performance data collection across advanced configurations. Using the NVIDIA RTX 4070 as our experimental platform, we developed a Random Forest-based prediction model with multi-output regression capability. Through analysis of both naive tiled matrix multiplication with varying tile sizes (1 to 32) and 16,128 CUTLASS GEMM operations across diverse configurations, we identified critical performance patterns related to matrix dimensions, thread block configurations, and memory access patterns. Our framework achieved exceptional accuracy with an R^2 score of 0.98 for runtime prediction (mean error 15.57%) and 0.78 for power prediction (median error 5.42%). The system successfully predicts performance across matrix sizes, demonstrating robust scaling behavior. Our results show that optimal tile size selection can improve performance by up to 3.2x while reducing power consumption by 22% compared to baseline configurations. Analysis of shared memory utilization and SM occupancy reveals that tile sizes of 16x16 achieve the best balance between parallelism and resource usage. The implementation of our framework, including prediction models and analysis tools, is available as an open-source project at GPPerf [https://github.com/pavlyhalim/GPPerf].

Iterative methods are ubiquitous in large-scale scientific computing applications, and a number of approaches based on meta-learning have been recently proposed to accelerate them. However, a systematic study of these approaches and how they differ from meta-learning is lacking. In this paper, we propose a framework to analyze such learning-based acceleration approaches, where one can immediately identify a departure from classical meta-learning. We show that this departure may lead to arbitrary deterioration of model performance. Based on our analysis, we introduce a novel training method for learning-based acceleration of iterative methods. Furthermore, we theoretically prove that the proposed method improves upon the existing methods, and demonstrate its significant advantage and versatility through various numerical applications.