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Support Vector Machine (SVM) is a robust machine learning algorithm with broad applications in classification, regression, and outlier detection. SVM requires tuning the regularization parameter (RP) which controls the model capacity and the generalization performance. Conventionally, the optimum RP is found by comparison of a range of values through the Cross-Validation (CV) procedure. In addition, for non-linearly separable data, the SVM uses kernels where a set of kernels, each with a set of parameters, denoted as a grid of kernels, are considered. The optimal choice of RP and the grid of kernels is through the grid-search of CV. By stochastically analyzing the behavior of the regularization parameter, this work shows that the SVM performance can be modeled as a function of separability and scatteredness (S&S) of the data. Separability is a measure of the distance between classes, and scatteredness is the ratio of the spread of data points. In particular, for the hinge loss cost function, an S&S ratio-based table provides the optimum RP. The S&S ratio is a powerful value that can automatically detect linear or non-linear separability before using the SVM algorithm. The provided S&S ratio-based table can also provide the optimum kernel and its parameters before using the SVM algorithm. Consequently, the computational complexity of the CV grid-search is reduced to only one time use of the SVM. The simulation results on the real dataset confirm the superiority and efficiency of the proposed approach in the sense of computational complexity over the grid-search CV method.
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Biological signals, such as electroencephalograms (EEG), play a crucial role in numerous clinical applications, exhibiting diverse data formats and quality profiles. Current deep learning models for biosignals are typically specialized for specific datasets and clinical settings, limiting their broader applicability. Motivated by the success of large language models in text processing, we explore the development of foundational models that are trained from multiple data sources and can be fine-tuned on different downstream biosignal tasks. To overcome the unique challenges associated with biosignals of various formats, such as mismatched channels, variable sample lengths, and prevalent missing values, we propose a Biosignal Transformer (\method). The proposed \method model can enable cross-data learning with mismatched channels, variable lengths, and missing values by tokenizing diverse biosignals into unified "biosignal sentences". Specifically, we tokenize each channel into fixed-length segments containing local signal features, flattening them to form consistent "sentences". Channel embeddings and {\em relative} position embeddings are added to preserve spatio-temporal features. The \method model is versatile and applicable to various biosignal learning settings across different datasets, including joint pre-training for larger models. Comprehensive evaluations on EEG, electrocardiogram (ECG), and human activity sensory signals demonstrate that \method outperforms robust baselines in common settings and facilitates learning across multiple datasets with different formats. Use CHB-MIT seizure detection task as an example, our vanilla \method model shows 3\% improvement over baselines in balanced accuracy, and the pre-trained \method models (optimized from other data sources) can further bring up to 4\% improvements.
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This document serves as a position paper that outlines the authors' vision for a potential pathway towards generalist robots. The purpose of this document is to share the excitement of the authors with the community and highlight a promising research direction in robotics and AI. The authors believe the proposed paradigm is a feasible path towards accomplishing the long-standing goal of robotics research: deploying robots, or embodied AI agents more broadly, in various non-factory real-world settings to perform diverse tasks. This document presents a specific idea for mining knowledge in the latest large-scale foundation models for robotics research. Instead of directly using or adapting these models to produce low-level policies and actions, it advocates for a fully automated generative pipeline (termed as generative simulation), which uses these models to generate diversified tasks, scenes and training supervisions at scale, thereby scaling up low-level skill learning and ultimately leading to a foundation model for robotics that empowers generalist robots. The authors are actively pursuing this direction, but in the meantime, they recognize that the ambitious goal of building generalist robots with large-scale policy training demands significant resources such as computing power and hardware, and research groups in academia alone may face severe resource constraints in implementing the entire vision. Therefore, the authors believe sharing their thoughts at this early stage could foster discussions, attract interest towards the proposed pathway and related topics from industry groups, and potentially spur significant technical advancements in the field.
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Abstaining classifiers have the option to abstain from making predictions on inputs that they are unsure about. These classifiers are becoming increasingly popular in high-stakes decision-making problems, as they can withhold uncertain predictions to improve their reliability and safety. When evaluating black-box abstaining classifier(s), however, we lack a principled approach that accounts for what the classifier would have predicted on its abstentions. These missing predictions matter when they can eventually be utilized, either directly or as a backup option in a failure mode. In this paper, we introduce a novel approach and perspective to the problem of evaluating and comparing abstaining classifiers by treating abstentions as missing data. Our evaluation approach is centered around defining the counterfactual score of an abstaining classifier, defined as the expected performance of the classifier had it not been allowed to abstain. We specify the conditions under which the counterfactual score is identifiable: if the abstentions are stochastic, and if the evaluation data is independent of the training data (ensuring that the predictions are missing at random), then the score is identifiable. Note that, if abstentions are deterministic, then the score is unidentifiable because the classifier can perform arbitrarily poorly on its abstentions. Leveraging tools from observational causal inference, we then develop nonparametric and doubly robust methods to efficiently estimate this quantity under identification. Our approach is examined in both simulated and real data experiments.
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Systems for serving inference requests on graph neural networks (GNN) must combine low latency with high throughout, but they face irregular computation due to skew in the number of sampled graph nodes and aggregated GNN features. This makes it challenging to exploit GPUs effectively: using GPUs to sample only a few graph nodes yields lower performance than CPU-based sampling; and aggregating many features exhibits high data movement costs between GPUs and CPUs. Therefore, current GNN serving systems use CPUs for graph sampling and feature aggregation, limiting throughput. We describe Quiver, a distributed GPU-based GNN serving system with low-latency and high-throughput. Quiver's key idea is to exploit workload metrics for predicting the irregular computation of GNN requests, and governing the use of GPUs for graph sampling and feature aggregation: (1) for graph sampling, Quiver calculates the probabilistic sampled graph size, a metric that predicts the degree of parallelism in graph sampling. Quiver uses this metric to assign sampling tasks to GPUs only when the performance gains surpass CPU-based sampling; and (2) for feature aggregation, Quiver relies on the feature access probability to decide which features to partition and replicate across a distributed GPU NUMA topology. We show that Quiver achieves up to 35 times lower latency with an 8 times higher throughput compared to state-of-the-art GNN approaches (DGL and PyG).
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Artificial Intelligence (AI) is playing a vital role in all aspects of technology including cyber security. Application of Conversational AI like the chatbots are also becoming very popular in the medical field to provide timely and immediate medical assistance to patients in need. As medical chatbots deal with a lot of sensitive information, the security of these chatbots is crucial. To secure the confidentiality, integrity, and availability of cloud-hosted assets like these, medical chatbots can be monitored using AISecOps (Artificial Intelligence for Secure IT Operations). AISecOPs is an emerging field that integrates three different but interrelated domains like the IT operation, AI, and security as one domain, where the expertise from all these three domains are used cohesively to secure the cyber assets. It considers cloud operations and security in a holistic framework to collect the metrics required to assess the security threats and train the AI models to take immediate actions. This work is focused on applying the STRIDE threat modeling framework to model the possible threats involved in each component of the chatbot to enable the automatic threat detection using the AISecOps techniques. This threat modeling framework is tailored to the medical chatbots that involves sensitive data sharing but could also be applied for chatbots used in other sectors like the financial services, public sector, and government sectors that are concerned with security and compliance.
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Accurate short-term predictions of phase-resolved water wave conditions are crucial for decision-making in ocean engineering. However, the initialization of remote-sensing-based wave prediction models first requires a reconstruction of wave surfaces from sparse measurements like radar. Existing reconstruction methods either rely on computationally intensive optimization procedures or simplistic modelling assumptions that compromise the real-time capability or accuracy of the subsequent prediction process. We therefore address these issues by proposing a novel approach for phase-resolved wave surface reconstruction using neural networks based on the U-Net and Fourier neural operator (FNO) architectures. Our approach utilizes synthetic yet highly realistic training data on uniform one-dimensional grids, that is generated by the high-order spectral method for wave simulation and a geometric radar modelling approach. The investigation reveals that both models deliver accurate wave reconstruction results and show good generalization for different sea states when trained with spatio-temporal radar data containing multiple historic radar snapshots in each input. Notably, the FNO demonstrates superior performance in handling the data structure imposed by wave physics due to its global approach to learn the mapping between input and output in Fourier space.
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Click-Through Rate (CTR) prediction is one of the main tasks of the recommendation system, which is conducted by a user for different items to give the recommendation results. Cross-domain CTR prediction models have been proposed to overcome problems of data sparsity, long tail distribution of user-item interactions, and cold start of items or users. In order to make knowledge transfer from source domain to target domain more smoothly, an innovative deep learning cross-domain CTR prediction model, Domain Adversarial Deep Interest Network (DADIN) is proposed to convert the cross-domain recommendation task into a domain adaptation problem. The joint distribution alignment of two domains is innovatively realized by introducing domain agnostic layers and specially designed loss, and optimized together with CTR prediction loss in a way of adversarial training. It is found that the Area Under Curve (AUC) of DADIN is 0.08% higher than the most competitive baseline on Huawei dataset and is 0.71% higher than its competitors on Amazon dataset, achieving the state-of-the-art results on the basis of the evaluation of this model performance on two real datasets. The ablation study shows that by introducing adversarial method, this model has respectively led to the AUC improvements of 2.34% on Huawei dataset and 16.67% on Amazon dataset.
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The success of many healthcare programs depends on participants' adherence. We consider the problem of scheduling interventions in low resource settings (e.g., placing timely support calls from health workers) to increase adherence and/or engagement. Past works have successfully developed several classes of Restless Multi-armed Bandit (RMAB) based solutions for this problem. Nevertheless, all past RMAB approaches assume that the participants' behaviour follows the Markov property. We demonstrate significant deviations from the Markov assumption on real-world data on a maternal health awareness program from our partner NGO, ARMMAN. Moreover, we extend RMABs to continuous state spaces, a previously understudied area. To tackle the generalised non-Markovian RMAB setting we (i) model each participant's trajectory as a time-series, (ii) leverage the power of time-series forecasting models to learn complex patterns and dynamics to predict future states, and (iii) propose the Time-series Arm Ranking Index (TARI) policy, a novel algorithm that selects the RMAB arms that will benefit the most from an intervention, given our future state predictions. We evaluate our approach on both synthetic data, and a secondary analysis on real data from ARMMAN, and demonstrate significant increase in engagement compared to the SOTA, deployed Whittle index solution. This translates to 16.3 hours of additional content listened, 90.8% more engagement drops prevented, and reaching more than twice as many high dropout-risk beneficiaries.
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Probabilistic logical rule learning has shown great strength in logical rule mining and knowledge graph completion. It learns logical rules to predict missing edges by reasoning on existing edges in the knowledge graph. However, previous efforts have largely been limited to only modeling chain-like Horn clauses such as $R_1(x,z)\land R_2(z,y)\Rightarrow H(x,y)$. This formulation overlooks additional contextual information from neighboring sub-graphs of entity variables $x$, $y$ and $z$. Intuitively, there is a large gap here, as local sub-graphs have been found to provide important information for knowledge graph completion. Inspired by these observations, we propose Logical Entity RePresentation (LERP) to encode contextual information of entities in the knowledge graph. A LERP is designed as a vector of probabilistic logical functions on the entity's neighboring sub-graph. It is an interpretable representation while allowing for differentiable optimization. We can then incorporate LERP into probabilistic logical rule learning to learn more expressive rules. Empirical results demonstrate that with LERP, our model outperforms other rule learning methods in knowledge graph completion and is comparable or even superior to state-of-the-art black-box methods. Moreover, we find that our model can discover a more expressive family of logical rules. LERP can also be further combined with embedding learning methods like TransE to make it more interpretable.
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Deep Reinforcement Learning (DRL) has received a lot of attention from the research community in recent years. As the technology moves away from game playing to practical contexts, such as autonomous vehicles and robotics, it is crucial to evaluate the quality of DRL agents. In this paper, we propose a search-based approach to test such agents. Our approach, implemented in a tool called Indago, trains a classifier on failure and non-failure environment (i.e., pass) configurations resulting from the DRL training process. The classifier is used at testing time as a surrogate model for the DRL agent execution in the environment, predicting the extent to which a given environment configuration induces a failure of the DRL agent under test. The failure prediction acts as a fitness function, guiding the generation towards failure environment configurations, while saving computation time by deferring the execution of the DRL agent in the environment to those configurations that are more likely to expose failures. Experimental results show that our search-based approach finds 50% more failures of the DRL agent than state-of-the-art techniques. Moreover, such failures are, on average, 78% more diverse; similarly, the behaviors of the DRL agent induced by failure configurations are 74% more diverse.
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Reinforcement learning (RL), imitation learning (IL), and task and motion planning (TAMP) have demonstrated impressive performance across various robotic manipulation tasks. However, these approaches have been limited to learning simple behaviors in current real-world manipulation benchmarks, such as pushing or pick-and-place. To enable more complex, long-horizon behaviors of an autonomous robot, we propose to focus on real-world furniture assembly, a complex, long-horizon robot manipulation task that requires addressing many current robotic manipulation challenges to solve. We present FurnitureBench, a reproducible real-world furniture assembly benchmark aimed at providing a low barrier for entry and being easily reproducible, so that researchers across the world can reliably test their algorithms and compare them against prior work. For ease of use, we provide 200+ hours of pre-collected data (5000+ demonstrations), 3D printable furniture models, a robotic environment setup guide, and systematic task initialization. Furthermore, we provide FurnitureSim, a fast and realistic simulator of FurnitureBench. We benchmark the performance of offline RL and IL algorithms on our assembly tasks and demonstrate the need to improve such algorithms to be able to solve our tasks in the real world, providing ample opportunities for future research.
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In-memory computing for Machine Learning (ML) applications remedies the von Neumann bottlenecks by organizing computation to exploit parallelism and locality. Non-volatile memory devices such as Resistive RAM (ReRAM) offer integrated switching and storage capabilities showing promising performance for ML applications. However, ReRAM devices have design challenges, such as non-linear digital-analog conversion and circuit overheads. This paper proposes an In-Memory Boolean-to-Current Inference Architecture (IMBUE) that uses ReRAM-transistor cells to eliminate the need for such conversions. IMBUE processes Boolean feature inputs expressed as digital voltages and generates parallel current paths based on resistive memory states. The proportional column current is then translated back to the Boolean domain for further digital processing. The IMBUE architecture is inspired by the Tsetlin Machine (TM), an emerging ML algorithm based on intrinsically Boolean logic. The IMBUE architecture demonstrates significant performance improvements over binarized convolutional neural networks and digital TM in-memory implementations, achieving up to a 12.99x and 5.28x increase, respectively.
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Depression is the most prevalent and serious mental illness, which induces grave financial and societal ramifications. Depression detection is key for early intervention to mitigate those consequences. Such a high-stake decision inherently necessitates interpretability. Although a few depression detection studies attempt to explain the decision based on the importance score or attention weights, these explanations misalign with the clinical depression diagnosis criterion that is based on depressive symptoms. To fill this gap, we follow the computational design science paradigm to develop a novel Multi-Scale Temporal Prototype Network (MSTPNet). MSTPNet innovatively detects and interprets depressive symptoms as well as how long they last. Extensive empirical analyses using a large-scale dataset show that MSTPNet outperforms state-of-the-art depression detection methods with an F1-score of 0.851. This result also reveals new symptoms that are unnoted in the survey approach, such as sharing admiration for a different life. We further conduct a user study to demonstrate its superiority over the benchmarks in interpretability. This study contributes to IS literature with a novel interpretable deep learning model for depression detection in social media. In practice, our proposed method can be implemented in social media platforms to provide personalized online resources for detected depressed patients.
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Generating desirable molecular structures in 3D is a fundamental problem for drug discovery. Despite the considerable progress we have achieved, existing methods usually generate molecules in atom resolution and ignore intrinsic local structures such as rings, which leads to poor quality in generated structures, especially when generating large molecules. Fragment-based molecule generation is a promising strategy, however, it is nontrivial to be adapted for 3D non-autoregressive generations because of the combinational optimization problems. In this paper, we utilize a coarse-to-fine strategy to tackle this problem, in which a Hierarchical Diffusion-based model (i.e.~HierDiff) is proposed to preserve the validity of local segments without relying on autoregressive modeling. Specifically, HierDiff first generates coarse-grained molecule geometries via an equivariant diffusion process, where each coarse-grained node reflects a fragment in a molecule. Then the coarse-grained nodes are decoded into fine-grained fragments by a message-passing process and a newly designed iterative refined sampling module. Lastly, the fine-grained fragments are then assembled to derive a complete atomic molecular structure. Extensive experiments demonstrate that HierDiff consistently improves the quality of molecule generation over existing methods
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Physics is a field of science that has traditionally used the scientific method to answer questions about why natural phenomena occur and to make testable models that explain the phenomena. Discovering equations, laws and principles that are invariant, robust and causal explanations of the world has been fundamental in physical sciences throughout the centuries. Discoveries emerge from observing the world and, when possible, performing interventional studies in the system under study. With the advent of big data and the use of data-driven methods, causal and equation discovery fields have grown and made progress in computer science, physics, statistics, philosophy, and many applied fields. All these domains are intertwined and can be used to discover causal relations, physical laws, and equations from observational data. This paper reviews the concepts, methods, and relevant works on causal and equation discovery in the broad field of Physics and outlines the most important challenges and promising future lines of research. We also provide a taxonomy for observational causal and equation discovery, point out connections, and showcase a complete set of case studies in Earth and climate sciences, fluid dynamics and mechanics, and the neurosciences. This review demonstrates that discovering fundamental laws and causal relations by observing natural phenomena is being revolutionised with the efficient exploitation of observational data, modern machine learning algorithms and the interaction with domain knowledge. Exciting times are ahead with many challenges and opportunities to improve our understanding of complex systems.
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Concerns regarding unfairness and discrimination in the context of artificial intelligence (AI) systems have recently received increased attention from both legal and computer science scholars. Yet, the degree of overlap between notions of algorithmic bias and fairness on the one hand, and legal notions of discrimination and equality on the other, is often unclear, leading to misunderstandings between computer science and law. What types of bias and unfairness does the law address when it prohibits discrimination? What role can fairness metrics play in establishing legal compliance? In this paper, we aim to illustrate to what extent European Union (EU) non-discrimination law coincides with notions of algorithmic fairness proposed in computer science literature and where they differ. The contributions of this paper are as follows. First, we analyse seminal examples of algorithmic unfairness through the lens of EU non-discrimination law, drawing parallels with EU case law. Second, we set out the normative underpinnings of fairness metrics and technical interventions and compare these to the legal reasoning of the Court of Justice of the EU. Specifically, we show how normative assumptions often remain implicit in both disciplinary approaches and explain the ensuing limitations of current AI practice and non-discrimination law. We conclude with implications for AI practitioners and regulators.
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Integrating the brain structural and functional connectivity features is of great significance in both exploring brain science and analyzing cognitive impairment clinically. However, it remains a challenge to effectively fuse structural and functional features in exploring the brain network. In this paper, a novel brain structure-function fusing-representation learning (BSFL) model is proposed to effectively learn fused representation from diffusion tensor imaging (DTI) and resting-state functional magnetic resonance imaging (fMRI) for mild cognitive impairment (MCI) analysis. Specifically, the decomposition-fusion framework is developed to first decompose the feature space into the union of the uniform and the unique spaces for each modality, and then adaptively fuse the decomposed features to learn MCI-related representation. Moreover, a knowledge-aware transformer module is designed to automatically capture local and global connectivity features throughout the brain. Also, a uniform-unique contrastive loss is further devised to make the decomposition more effective and enhance the complementarity of structural and functional features. The extensive experiments demonstrate that the proposed model achieves better performance than other competitive methods in predicting and analyzing MCI. More importantly, the proposed model could be a potential tool for reconstructing unified brain networks and predicting abnormal connections during the degenerative processes in MCI.
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In this paper we present a novel solution that combines the capabilities of Large Language Models (LLMs) with Formal Verification strategies to verify and automatically repair software vulnerabilities. Initially, we employ Bounded Model Checking (BMC) to locate the software vulnerability and derive a counterexample. The counterexample provides evidence that the system behaves incorrectly or contains a vulnerability. The counterexample that has been detected, along with the source code, are provided to the LLM engine. Our approach involves establishing a specialized prompt language for conducting code debugging and generation to understand the vulnerability's root cause and repair the code. Finally, we use BMC to verify the corrected version of the code generated by the LLM. As a proof of concept, we create ESBMC-AI based on the Efficient SMT-based Context-Bounded Model Checker (ESBMC) and a pre-trained Transformer model, specifically gpt-3.5-turbo, to detect and fix errors in C programs. Our experimentation involved generating a dataset comprising 1000 C code samples, each consisting of 20 to 50 lines of code. Notably, our proposed method achieved an impressive success rate of up to 80% in repairing vulnerable code encompassing buffer overflow and pointer dereference failures. We assert that this automated approach can effectively incorporate into the software development lifecycle's continuous integration and deployment (CI/CD) process.
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Evaluating canine electrocardiograms (ECG) require skilled veterinarians, but current availability of veterinary cardiologists for ECG interpretation and diagnostic support is limited. Developing tools for automated assessment of ECG sequences can improve veterinary care by providing clinicians real-time results and decision support tools. We implement a deep convolutional neural network (CNN) approach for classifying canine electrocardiogram sequences as either normal or abnormal. ECG records are converted into 8 second Lead II sequences and classified as either normal (no evidence of cardiac abnormalities) or abnormal (presence of one or more cardiac abnormalities). For training ECG sequences are randomly augmented using RandomAugmentECG, a new augmentation library implemented specifically for this project. Each chunk is then is converted using a continuous wavelet transform into a 2D scalogram. The 2D scalogram are then classified as either normal or abnormal by a binary CNN classifier. Experimental results are validated against three boarded veterinary cardiologists achieving an AUC-ROC score of 0.9506 on test dataset matching human level performance. Additionally, we describe model deployment to Microsoft Azure using an MLOps approach. To our knowledge, this work is one of the first attempts to implement a deep learning model to automatically classify ECG sequences for canines.Implementing automated ECG classification will enhance veterinary care through improved diagnostic performance and increased clinic efficiency.
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Recent progress in music generation has been remarkably advanced by the state-of-the-art MusicLM, which comprises a hierarchy of three LMs, respectively, for semantic, coarse acoustic, and fine acoustic modelings. Yet, sampling with the MusicLM requires processing through these LMs one by one to obtain the fine-grained acoustic tokens, making it computationally expensive and prohibitive for a real-time generation. Efficient music generation with a quality on par with MusicLM remains a significant challenge. In this paper, we present MeLoDy (M for music; L for LM; D for diffusion), an LM-guided diffusion model that generates music audios of state-of-the-art quality meanwhile reducing 95.7% or 99.6% forward passes in MusicLM, respectively, for sampling 10s or 30s music. MeLoDy inherits the highest-level LM from MusicLM for semantic modeling, and applies a novel dual-path diffusion (DPD) model and an audio VAE-GAN to efficiently decode the conditioning semantic tokens into waveform. DPD is proposed to simultaneously model the coarse and fine acoustics by incorporating the semantic information into segments of latents effectively via cross-attention at each denoising step. Our experimental results suggest the superiority of MeLoDy, not only in its practical advantages on sampling speed and infinitely continuable generation, but also in its state-of-the-art musicality, audio quality, and text correlation. Our samples are available at https://Efficient-MeLoDy.github.io/.
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Independent Component Analysis (ICA) aims to recover independent latent variables from observed mixtures thereof. Causal Representation Learning (CRL) aims instead to infer causally related (thus often statistically dependent) latent variables, together with the unknown graph encoding their causal relationships. We introduce an intermediate problem termed Causal Component Analysis (CauCA). CauCA can be viewed as a generalization of ICA, modelling the causal dependence among the latent components, and as a special case of CRL. In contrast to CRL, it presupposes knowledge of the causal graph, focusing solely on learning the unmixing function and the causal mechanisms. Any impossibility results regarding the recovery of the ground truth in CauCA also apply for CRL, while possibility results may serve as a stepping stone for extensions to CRL. We characterize CauCA identifiability from multiple datasets generated through different types of interventions on the latent causal variables. As a corollary, this interventional perspective also leads to new identifiability results for nonlinear ICA -- a special case of CauCA with an empty graph -- requiring strictly fewer datasets than previous results. We introduce a likelihood-based approach using normalizing flows to estimate both the unmixing function and the causal mechanisms, and demonstrate its effectiveness through extensive synthetic experiments in the CauCA and ICA setting.
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Recent advancements in conversational large language models (LLMs), such as ChatGPT, have demonstrated remarkable promise in various domains, including drug discovery. However, existing works mainly focus on investigating the capabilities of conversational LLMs on chemical reaction and retrosynthesis. While drug editing, a critical task in the drug discovery pipeline, remains largely unexplored. To bridge this gap, we propose ChatDrug, a framework to facilitate the systematic investigation of drug editing using LLMs. ChatDrug jointly leverages a prompt module, a retrieval and domain feedback (ReDF) module, and a conversation module to streamline effective drug editing. We empirically show that ChatDrug reaches the best performance on 33 out of 39 drug editing tasks, encompassing small molecules, peptides, and proteins. We further demonstrate, through 10 case studies, that ChatDrug can successfully identify the key substructures (e.g., the molecule functional groups, peptide motifs, and protein structures) for manipulation, generating diverse and valid suggestions for drug editing. Promisingly, we also show that ChatDrug can offer insightful explanations from a domain-specific perspective, enhancing interpretability and enabling informed decision-making. This research sheds light on the potential of ChatGPT and conversational LLMs for drug editing. It paves the way for a more efficient and collaborative drug discovery pipeline, contributing to the advancement of pharmaceutical research and development.
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Many high-performing machine learning models are not interpretable. As they are increasingly used in decision scenarios that can critically affect individuals, it is necessary to develop tools to better understand their outputs. Popular explanation methods include contrastive explanations. However, they suffer several shortcomings, among others an insufficient incorporation of background knowledge, and a lack of interactivity. While (dialogue-like) interactivity is important to better communicate an explanation, background knowledge has the potential to significantly improve their quality, e.g., by adapting the explanation to the needs of the end-user. To close this gap, we present REASONX, an explanation tool based on Constraint Logic Programming (CLP). REASONX provides interactive contrastive explanations that can be augmented by background knowledge, and allows to operate under a setting of under-specified information, leading to increased flexibility in the provided explanations. REASONX computes factual and constrative decision rules, as well as closest constrative examples. It provides explanations for decision trees, which can be the ML models under analysis, or global/local surrogate models of any ML model. While the core part of REASONX is built on CLP, we also provide a program layer that allows to compute the explanations via Python, making the tool accessible to a wider audience. We illustrate the capability of REASONX on a synthetic data set, and on a a well-developed example in the credit domain. In both cases, we can show how REASONX can be flexibly used and tailored to the needs of the user.
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Large Language Models (LLMs) pre-trained on code have recently emerged as the dominant approach to program synthesis. However, the code that these models produce can violate basic language-level invariants, leading to lower performance in downstream tasks. We address this issue through an approach, called RLCF, that further trains a pre-trained LLM using feedback from a code compiler. RLCF views the LLM as an RL agent that generates code step by step and receives: (i) compiler-derived feedback on whether the code it generates passes a set of correctness checks; and (ii) feedback from a different LLM on whether the generated code is similar to a set of reference programs in the training corpus. Together, these feedback mechanisms help the generated code remain within the target distribution while passing all static correctness checks. RLCF is model- and language-agnostic. We empirically evaluate it on the MBJP and MathQA tasks for Java. Our experiments show that RLCF significantly raises the odds that an LLM-generated program compiles, is executable, and produces the right output on tests, often allowing LLMs to match the performance of 2x-8x larger LLMs.
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Recently, diffusion models have achieved remarkable success in generating tasks, including image and audio generation. However, like other generative models, diffusion models are prone to privacy issues. In this paper, we propose an efficient query-based membership inference attack (MIA), namely Proximal Initialization Attack (PIA), which utilizes groundtruth trajectory obtained by $\epsilon$ initialized in $t=0$ and predicted point to infer memberships. Experimental results indicate that the proposed method can achieve competitive performance with only two queries on both discrete-time and continuous-time diffusion models. Moreover, previous works on the privacy of diffusion models have focused on vision tasks without considering audio tasks. Therefore, we also explore the robustness of diffusion models to MIA in the text-to-speech (TTS) task, which is an audio generation task. To the best of our knowledge, this work is the first to study the robustness of diffusion models to MIA in the TTS task. Experimental results indicate that models with mel-spectrogram (image-like) output are vulnerable to MIA, while models with audio output are relatively robust to MIA. {Code is available at \url{https://github.com/kong13661/PIA}}.
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At Airbnb, an online marketplace for stays and experiences, guests often spend weeks exploring and comparing multiple items before making a final reservation request. Each reservation request may then potentially be rejected or cancelled by the host prior to check-in. The long and exploratory nature of the search journey, as well as the need to balance both guest and host preferences, present unique challenges for Airbnb search ranking. In this paper, we present Journey Ranker, a new multi-task deep learning model architecture that addresses these challenges. Journey Ranker leverages intermediate guest actions as milestones, both positive and negative, to better progress the guest towards a successful booking. It also uses contextual information such as guest state and search query to balance guest and host preferences. Its modular and extensible design, consisting of four modules with clear separation of concerns, allows for easy application to use cases beyond the Airbnb search ranking context. We conducted offline and online testing of the Journey Ranker and successfully deployed it in production to four different Airbnb products with significant business metrics improvements.
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Generative AI tools such as ChatGPT have recently gained significant attention in higher education. This study aims to understand how universities establish policies regarding the use of AI tools and explore the factors that influence their decisions. Our study examines ChatGPT policies implemented at universities around the world, including their existence, content, and issuance dates. Specifically, we analyzed the top 500 universities according to the 2022 QS World University Rankings. Our findings indicate that there is significant variation in university policies. Less than one-third of the universities included in the study had implemented ChatGPT policies. Of the universities with ChatGPT policies, approximately 67 percent embraced ChatGPT in teaching and learning, more than twice the number of universities that banned it. The majority of the universities that ban the use of ChatGPT in assessments allow individual instructors to deviate from this restrictive policy. Our empirical analysis identifies several factors that are significantly and positively correlated with a university's likelihood of having a ChatGPT policy, including the university's academic reputation score, being in an English-speaking country, and the general public attitudes toward ChatGPT. In addition, we found that a university's likelihood of having a ban policy is positively associated with faculty student ratio, citations, and the English-speaking country dummy, while negatively associated with the number of peer universities within the same country that have banned ChatGPT. We discuss the challenges faced by universities based our empirical findings.
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In this paper, we consider non-convex multi-block bilevel optimization (MBBO) problems, which involve $m\gg 1$ lower level problems and have important applications in machine learning. Designing a stochastic gradient and controlling its variance is more intricate due to the hierarchical sampling of blocks and data and the unique challenge of estimating hyper-gradient. We aim to achieve three nice properties for our algorithm: (a) matching the state-of-the-art complexity of standard BO problems with a single block; (b) achieving parallel speedup by sampling $I$ blocks and sampling $B$ samples for each sampled block per-iteration; (c) avoiding the computation of the inverse of a high-dimensional Hessian matrix estimator. However, it is non-trivial to achieve all of these by observing that existing works only achieve one or two of these properties. To address the involved challenges for achieving (a, b, c), we propose two stochastic algorithms by using advanced blockwise variance-reduction techniques for tracking the Hessian matrices (for low-dimensional problems) or the Hessian-vector products (for high-dimensional problems), and prove an iteration complexity of $O(\frac{m\epsilon^{-3}\mathbb{I}(I<m)}{I\sqrt{I}} + \frac{m\epsilon^{-3}}{I\sqrt{B}})$ for finding an $\epsilon$-stationary point under appropriate conditions. We also conduct experiments to verify the effectiveness of the proposed algorithms comparing with existing MBBO algorithms.
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Aiding humans with scientific designs is one of the most exciting of artificial intelligence (AI) and machine learning (ML), due to their potential for the discovery of new drugs, design of new materials and chemical compounds, etc. However, scientific design typically requires complex domain knowledge that is not familiar to AI researchers. Further, scientific studies involve professional skills to perform experiments and evaluations. These obstacles prevent AI researchers from developing specialized methods for scientific designs. To take a step towards easy-to-understand and reproducible research of scientific design, we propose a benchmark for the inverse design of nanophotonic devices, which can be verified computationally and accurately. Specifically, we implemented three different nanophotonic design problems, namely a radiative cooler, a selective emitter for thermophotovoltaics, and structural color filters, all of which are different in design parameter spaces, complexity, and design targets. The benchmark environments are implemented with an open-source simulator. We further implemented 10 different inverse design algorithms and compared them in a reproducible and fair framework. The results revealed the strengths and weaknesses of existing methods, which shed light on several future directions for developing more efficient inverse design algorithms. Our benchmark can also serve as the starting point for more challenging scientific design problems. The code of IDToolkit is available at https://github.com/ThyrixYang/IDToolkit.
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The optimal multicast tree problem in the Software-Defined Networking (SDN) multicast routing is an NP-hard combinatorial optimization problem. Although existing SDN intelligent solution methods, which are based on deep reinforcement learning, can dynamically adapt to complex network link state changes, these methods are plagued by problems such as redundant branches, large action space, and slow agent convergence. In this paper, an SDN intelligent multicast routing algorithm based on deep hierarchical reinforcement learning is proposed to circumvent the aforementioned problems. First, the multicast tree construction problem is decomposed into two sub-problems: the fork node selection problem and the construction of the optimal path from the fork node to the destination node. Second, based on the information characteristics of SDN global network perception, the multicast tree state matrix, link bandwidth matrix, link delay matrix, link packet loss rate matrix, and sub-goal matrix are designed as the state space of intrinsic and meta controllers. Then, in order to mitigate the excessive action space, our approach constructs different action spaces at the upper and lower levels. The meta-controller generates an action space using network nodes to select the fork node, and the intrinsic controller uses the adjacent edges of the current node as its action space, thus implementing four different action selection strategies in the construction of the multicast tree. To facilitate the intelligent agent in constructing the optimal multicast tree with greater speed, we developed alternative reward strategies that distinguish between single-step node actions and multi-step actions towards multiple destination nodes.
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Model predictive control (MPC) is a popular approach for trajectory optimization in practical robotics applications. MPC policies can optimize trajectory parameters under kinodynamic and safety constraints and provide guarantees on safety, optimality, generalizability, interpretability, and explainability. However, some behaviors are complex and it is difficult to hand-craft an MPC objective function. A special class of MPC policies called Learnable-MPC addresses this difficulty using imitation learning from expert demonstrations. However, they require the demonstrator and the imitator agents to be identical which is hard to satisfy in many real world applications of robotics. In this paper, we address the practical problem of training Learnable-MPC policies when the demonstrator and the imitator do not share the same dynamics and their state spaces may have a partial overlap. We propose a novel approach that uses a generative adversarial network (GAN) to minimize the Jensen-Shannon divergence between the state-trajectory distributions of the demonstrator and the imitator. We evaluate our approach on a variety of simulated robotics tasks of DeepMind Control suite and demonstrate the efficacy of our approach at learning the demonstrator's behavior without having to copy their actions.
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One prevalent property we find empirically in real-world graph anomaly detection (GAD) datasets is a one-class homophily, i.e., normal nodes tend to have strong connection/affinity with each other, while the homophily in abnormal nodes is significantly weaker than normal nodes. However, this anomaly-discriminative property is ignored by existing GAD methods that are typically built using a conventional anomaly detection objective, such as data reconstruction. In this work, we explore this property to introduce a novel unsupervised anomaly scoring measure for GAD -- local node affinity -- that assigns a larger anomaly score to nodes that are less affiliated with their neighbors, with the affinity defined as similarity on node attributes/representations. We further propose Truncated Affinity Maximization (TAM) that learns tailored node representations for our anomaly measure by maximizing the local affinity of nodes to their neighbors. Optimizing on the original graph structure can be biased by non-homophily edges (i.e., edges connecting normal and abnormal nodes). Thus, TAM is instead optimized on truncated graphs where non-homophily edges are removed iteratively to mitigate this bias. The learned representations result in significantly stronger local affinity for normal nodes than abnormal nodes. Extensive empirical results on six real-world GAD datasets show that TAM substantially outperforms seven competing models, achieving over 10% increase in AUROC/AUPRC compared to the best contenders on challenging datasets. Our code will be made available at https: //github.com/mala-lab/TAM-master/.
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Twitter as one of the most popular social networks, offers a means for communication and online discourse, which unfortunately has been the target of bots and fake accounts, leading to the manipulation and spreading of false information. Towards this end, we gather a challenging, multilingual dataset of social discourse on Twitter, originating from 9M users regarding the recent Russo-Ukrainian war, in order to detect the bot accounts and the conversation involving them. We collect the ground truth for our dataset through the Twitter API suspended accounts collection, containing approximately 343K of bot accounts and 8M of normal users. Additionally, we use a dataset provided by Botometer-V3 with 1,777 Varol, 483 German accounts, and 1,321 US accounts. Besides the publicly available datasets, we also manage to collect 2 independent datasets around popular discussion topics of the 2022 energy crisis and the 2022 conspiracy discussions. Both of the datasets were labeled according to the Twitter suspension mechanism. We build a novel ML model for bot detection using the state-of-the-art XGBoost model. We combine the model with a high volume of labeled tweets according to the Twitter suspension mechanism ground truth. This requires a limited set of profile features allowing labeling of the dataset in different time periods from the collection, as it is independent of the Twitter API. In comparison with Botometer our methodology achieves an average 11% higher ROC-AUC score over two real-case scenario datasets.
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Quantum machine learning is often highlighted as one of the most promising uses for a quantum computer to solve practical problems. However, a major obstacle to the widespread use of quantum machine learning models in practice is that these models, even once trained, still require access to a quantum computer in order to be evaluated on new data. To solve this issue, we suggest that following the training phase of a quantum model, a quantum computer could be used to generate what we call a classical shadow of this model, i.e., a classically computable approximation of the learned function. While recent works already explore this idea and suggest approaches to construct such shadow models, they also raise the possibility that a completely classical model could be trained instead, thus circumventing the need for a quantum computer in the first place. In this work, we take a novel approach to define shadow models based on the frameworks of quantum linear models and classical shadow tomography. This approach allows us to show that there exist shadow models which can solve certain learning tasks that are intractable for fully classical models, based on widely-believed cryptography assumptions. We also discuss the (un)likeliness that all quantum models could be shadowfiable, based on common assumptions in complexity theory.
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We present Language-Image Value learning (LIV), a unified objective for vision-language representation and reward learning from action-free videos with text annotations. Exploiting a novel connection between dual reinforcement learning and mutual information contrastive learning, the LIV objective trains a multi-modal representation that implicitly encodes a universal value function for tasks specified as language or image goals. We use LIV to pre-train the first control-centric vision-language representation from large human video datasets such as EpicKitchen. Given only a language or image goal, the pre-trained LIV model can assign dense rewards to each frame in videos of unseen robots or humans attempting that task in unseen environments. Further, when some target domain-specific data is available, the same objective can be used to fine-tune and improve LIV and even other pre-trained representations for robotic control and reward specification in that domain. In our experiments on several simulated and real-world robot environments, LIV models consistently outperform the best prior input state representations for imitation learning, as well as reward specification methods for policy synthesis. Our results validate the advantages of joint vision-language representation and reward learning within the unified, compact LIV framework.
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Session-based recommendation, which aims to predict the next item of users' interest as per an existing sequence interaction of items, has attracted growing applications of Contrastive Learning (CL) with improved user and item representations. However, these contrastive objectives: (1) serve a similar role as the cross-entropy loss while ignoring the item representation space optimisation; and (2) commonly require complicated modelling, including complex positive/negative sample constructions and extra data augmentation. In this work, we introduce Self-Contrastive Learning (SCL), which simplifies the application of CL and enhances the performance of state-of-the-art CL-based recommendation techniques. Specifically, SCL is formulated as an objective function that directly promotes a uniform distribution among item representations and efficiently replaces all the existing contrastive objective components of state-of-the-art models. Unlike previous works, SCL eliminates the need for any positive/negative sample construction or data augmentation, leading to enhanced interpretability of the item representation space and facilitating its extensibility to existing recommender systems. Through experiments on three benchmark datasets, we demonstrate that SCL consistently improves the performance of state-of-the-art models with statistical significance. Notably, our experiments show that SCL improves the performance of two best-performing models by 8.2% and 9.5% in P@10 (Precision) and 9.9% and 11.2% in MRR@10 (Mean Reciprocal Rank) on average across different benchmarks. Additionally, our analysis elucidates the improvement in terms of alignment and uniformity of representations, as well as the effectiveness of SCL with a low computational cost.
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Multi-robot path finding in dynamic environments is a highly challenging classic problem. In the movement process, robots need to avoid collisions with other moving robots while minimizing their travel distance. Previous methods for this problem either continuously replan paths using heuristic search methods to avoid conflicts or choose appropriate collision avoidance strategies based on learning approaches. The former may result in long travel distances due to frequent replanning, while the latter may have low learning efficiency due to low sample exploration and utilization, and causing high training costs for the model. To address these issues, we propose a path planning method, MAPPOHR, which combines heuristic search, empirical rules, and multi-agent reinforcement learning. The method consists of two layers: a real-time planner based on the multi-agent reinforcement learning algorithm, MAPPO, which embeds empirical rules in the action output layer and reward functions, and a heuristic search planner used to create a global guiding path. During movement, the heuristic search planner replans new paths based on the instructions of the real-time planner. We tested our method in 10 different conflict scenarios. The experiments show that the planning performance of MAPPOHR is better than that of existing learning and heuristic methods. Due to the utilization of empirical knowledge and heuristic search, the learning efficiency of MAPPOHR is higher than that of existing learning methods.
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Software vulnerabilities bear enterprises significant costs. Despite extensive efforts in research and development of software vulnerability detection methods, uncaught vulnerabilities continue to put software owners and users at risk. Many current vulnerability detection methods require that code snippets can compile and build before attempting detection. This, unfortunately, introduces a long latency between the time a vulnerability is injected to the time it is removed, which can substantially increases the cost of fixing a vulnerability. We recognize that the current advances in machine learning can be used to detect vulnerable code patterns on syntactically incomplete code snippets as the developer is writing the code at EditTime. In this paper we present a practical system that leverages deep learning on a large-scale data set of vulnerable code patterns to learn complex manifestations of more than 250 vulnerability types and detect vulnerable code patterns at EditTime. We discuss zero-shot, few-shot, and fine-tuning approaches on state of the art pre-trained Large Language Models (LLMs). We show that in comparison with state of the art vulnerability detection models our approach improves the state of the art by 10%. We also evaluate our approach to detect vulnerability in auto-generated code by code LLMs. Evaluation on a benchmark of high-risk code scenarios shows a reduction of up to 90% vulnerability reduction.
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Deep neural networks (DNNs) are emerging as a potential solution to solve NP-hard wireless resource allocation problems. However, in the presence of intricate constraints, e.g., users' quality-of-service (QoS) constraints, guaranteeing constraint satisfaction becomes a fundamental challenge. In this paper, we propose a novel unsupervised learning framework to solve the classical power control problem in a multi-user interference channel, where the objective is to maximize the network sumrate under users' minimum data rate or QoS requirements and power budget constraints. Utilizing a differentiable projection function, two novel deep learning (DL) solutions are pursued. The first is called Deep Implicit Projection Network (DIPNet), and the second is called Deep Explicit Projection Network (DEPNet). DIPNet utilizes a differentiable convex optimization layer to implicitly define a projection function. On the other hand, DEPNet uses an explicitly-defined projection function, which has an iterative nature and relies on a differentiable correction process. DIPNet requires convex constraints; whereas, the DEPNet does not require convexity and has a reduced computational complexity. To enhance the sum-rate performance of the proposed models even further, Frank-Wolfe algorithm (FW) has been applied to the output of the proposed models. Extensive simulations depict that the proposed DNN solutions not only improve the achievable data rate but also achieve zero constraint violation probability, compared to the existing DNNs. The proposed solutions outperform the classic optimization methods in terms of computation time complexity.
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User modeling, which learns to represent users into a low-dimensional representation space based on their past behaviors, got a surge of interest from the industry for providing personalized services to users. Previous efforts in user modeling mainly focus on learning a task-specific user representation that is designed for a single task. However, since learning task-specific user representations for every task is infeasible, recent studies introduce the concept of universal user representation, which is a more generalized representation of a user that is relevant to a variety of tasks. Despite their effectiveness, existing approaches for learning universal user representations are impractical in real-world applications due to the data requirement, catastrophic forgetting and the limited learning capability for continually added tasks. In this paper, we propose a novel continual user representation learning method, called TERACON, whose learning capability is not limited as the number of learned tasks increases while capturing the relationship between the tasks. The main idea is to introduce an embedding for each task, i.e., task embedding, which is utilized to generate task-specific soft masks that not only allow the entire model parameters to be updated until the end of training sequence, but also facilitate the relationship between the tasks to be captured. Moreover, we introduce a novel knowledge retention module with pseudo-labeling strategy that successfully alleviates the long-standing problem of continual learning, i.e., catastrophic forgetting. Extensive experiments on public and proprietary real-world datasets demonstrate the superiority and practicality of TERACON. Our code is available at https://github.com/Sein-Kim/TERACON.
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The task of the session-based recommendation is to predict the next interaction of the user based on the anonymized user's behavior pattern. And personalized version of this system is a promising research field due to its availability to deal with user information. However, there's a problem that the user's preferences and historical sessions were not considered in the typical session-based recommendation since it concentrates only on user-item interaction. In addition, the existing personalized session-based recommendation model has a limited capability in that it only considers the preference of the current user without considering those of similar users. It means there can be the loss of information included within the hierarchical data structure of the user-session-item. To tackle with this problem, we propose USP-SBR(abbr. of User Similarity Powered - Session Based Recommender). To model global historical sessions of users, we propose UserGraph that has two types of nodes - ItemNode and UserNode. We then connect the nodes with three types of edges. The first type of edges connects ItemNode as chronological order, and the second connects ItemNode to UserNode, and the last connects UserNode to ItemNode. With these user embeddings, we propose additional contrastive loss, that makes users with similar intention be close to each other in the vector space. we apply graph neural network on these UserGraph and update nodes. Experimental results on two real-world datasets demonstrate that our method outperforms some state-of-the-art approaches.
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The adoption of self-driving cars will certainly revolutionize our lives, even though they may take more time to become fully autonomous than initially predicted. The first vehicles are already present in certain cities of the world, as part of experimental robot-taxi services. However, most existing studies focus on the navigation part of such vehicles. We currently miss methods, datasets, and studies to assess the in-cabin human component of the adoption of such technology in real-world conditions. This paper proposes an experimental framework to study the activities of occupants of self-driving cars using a multidisciplinary approach (computer vision associated with human and social sciences), particularly non-driving related activities. The framework is composed of an experimentation scenario, and a data acquisition module. We seek firstly to capture real-world data about the usage of the vehicle in the nearest possible, real-world conditions, and secondly to create a dataset containing in-cabin human activities to foster the development and evaluation of computer vision algorithms. The acquisition module records multiple views of the front seats of the vehicle (Intel RGB-D and GoPro cameras); in addition to survey data about the internal states and attitudes of participants towards this type of vehicle before, during, and after the experimentation. We evaluated the proposed framework with the realization of real-world experimentation with 30 participants (1 hour each) to study the acceptance of SDCs of SAE level 4.
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Many recent works in simulation-based inference (SBI) rely on deep generative models to approximate complex, high-dimensional posterior distributions. However, evaluating whether or not these approximations can be trusted remains a challenge. Most approaches evaluate the posterior estimator only in expectation over the observation space. This limits their interpretability and is not sufficient to identify for which observations the approximation can be trusted or should be improved. Building upon the well-known classifier two-sample test (C2ST), we introduce L-C2ST, a new method that allows for a local evaluation of the posterior estimator at any given observation. It offers theoretically grounded and easy to interpret -- e.g. graphical -- diagnostics, and unlike C2ST, does not require access to samples from the true posterior. In the case of normalizing flow-based posterior estimators, L-C2ST can be specialized to offer better statistical power, while being computationally more efficient. On standard SBI benchmarks, L-C2ST provides comparable results to C2ST and outperforms alternative local approaches such as coverage tests based on highest predictive density (HPD). We further highlight the importance of local evaluation and the benefit of interpretability of L-C2ST on a challenging application from computational neuroscience.
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Load safety assessment and compliance is an essential step in the corporate process of every logistics service provider. In 2020, a total of 11,371 police checks of trucks were carried out, during which 9.6% (1091) violations against the load safety regulations were detected. For a logistic service provider, every load safety violation results in height fines and damage to reputation. An assessment of load safety supported by artificial intelligence (AI) will reduce the risk of accidents by unsecured loads and fines during safety assessments. This work shows how photos of the load, taken by the truck driver or the loadmaster after the loading process, can be used to assess load safety. By a trained two-stage artificial neural network (ANN), these photos are classified into three different classes I) cargo loaded safely, II) cargo loaded unsafely, and III) unusable image. By applying several architectures of convolutional neural networks (CNN), it can be shown that it is possible to distinguish between unusable and usable images for cargo safety assessment. This distinction is quite crucial since the truck driver and the loadmaster sometimes provide photos without the essential image features like the case structure of the truck and the whole cargo. A human operator or another ANN will then assess the load safety within the second stage.
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We propose and implement an interpretable machine learning classification model for Explainable AI (XAI) based on expressive Boolean formulas. Potential applications include credit scoring and diagnosis of medical conditions. The Boolean formula defines a rule with tunable complexity (or interpretability), according to which input data are classified. Such a formula can include any operator that can be applied to one or more Boolean variables, thus providing higher expressivity compared to more rigid rule-based and tree-based approaches. The classifier is trained using native local optimization techniques, efficiently searching the space of feasible formulas. Shallow rules can be determined by fast Integer Linear Programming (ILP) or Quadratic Unconstrained Binary Optimization (QUBO) solvers, potentially powered by special purpose hardware or quantum devices. We combine the expressivity and efficiency of the native local optimizer with the fast operation of these devices by executing non-local moves that optimize over subtrees of the full Boolean formula. We provide extensive numerical benchmarking results featuring several baselines on well-known public datasets. Based on the results, we find that the native local rule classifier is generally competitive with the other classifiers. The addition of non-local moves achieves similar results with fewer iterations, and therefore using specialized or quantum hardware could lead to a speedup by fast proposal of non-local moves.
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One of the goals of causal inference is to generalize from past experiments and observational data to novel conditions. While it is in principle possible to eventually learn a mapping from a novel experimental condition to an outcome of interest, provided a sufficient variety of experiments is available in the training data, coping with a large combinatorial space of possible interventions is hard. Under a typical sparse experimental design, this mapping is ill-posed without relying on heavy regularization or prior distributions. Such assumptions may or may not be reliable, and can be hard to defend or test. In this paper, we take a close look at how to warrant a leap from past experiments to novel conditions based on minimal assumptions about the factorization of the distribution of the manipulated system, communicated in the well-understood language of factor graph models. A postulated $\textit{interventional factor model}$ (IFM) may not always be informative, but it conveniently abstracts away a need for explicitly modeling unmeasured confounding and feedback mechanisms, leading to directly testable claims. Given an IFM and datasets from a collection of experimental regimes, we derive conditions for identifiability of the expected outcomes of new regimes never observed in these training data. We implement our framework using several efficient algorithms, and apply them on a range of semi-synthetic experiments.
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Collaborative Mobile Crowd Sensing (CMCS) enhances data quality and coverage by promoting teamwork in task sensing, with worker recruitment representing a complex multi-objective optimization problem. Existing strategies mainly focus on the characteristics of workers themselves, neglecting the asymmetric trust relationships between them, which affects the rationality of task utility evaluation. To address this, this paper first employs the Mini-Batch K-Means clustering algorithm and deploys edge servers to enable efficient distributed worker recruitment. Historical data and task requirements are utilized to obtain workers' ability types and distances. A trust-directed graph in the worker's social network is input into the Graph Convolutional Network (GCN) framework for training, capturing asymmetric trustworthiness between worker pairs. Privacy leakage is prevented in CMCS scenarios through high trust values between workers. Ultimately, an undirected recruitment graph is constructed using workers' abilities, trust values, and distance weights, transforming the worker recruitment problem into a Maximum Weight Average Subgraph Problem (MWASP). A Tabu Search Recruitment (TSR) algorithm is proposed to rationally recruit a balanced multi-objective optimal task utility worker set for each task. Extensive simulation experiments on four real-world datasets demonstrate the effectiveness of the proposed strategy, outperforming other strategies.
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As society transitions towards an AI-based decision-making infrastructure, an ever-increasing number of decisions once under control of humans are now delegated to automated systems. Even though such developments make various parts of society more efficient, a large body of evidence suggests that a great deal of care needs to be taken to make such automated decision-making systems fair and equitable, namely, taking into account sensitive attributes such as gender, race, and religion. In this paper, we study a specific decision-making task called outcome control in which an automated system aims to optimize an outcome variable $Y$ while being fair and equitable. The interest in such a setting ranges from interventions related to criminal justice and welfare, all the way to clinical decision-making and public health. In this paper, we first analyze through causal lenses the notion of benefit, which captures how much a specific individual would benefit from a positive decision, counterfactually speaking, when contrasted with an alternative, negative one. We introduce the notion of benefit fairness, which can be seen as the minimal fairness requirement in decision-making, and develop an algorithm for satisfying it. We then note that the benefit itself may be influenced by the protected attribute, and propose causal tools which can be used to analyze this. Finally, if some of the variations of the protected attribute in the benefit are considered as discriminatory, the notion of benefit fairness may need to be strengthened, which leads us to articulating a notion of causal benefit fairness. Using this notion, we develop a new optimization procedure capable of maximizing $Y$ while ascertaining causal fairness in the decision process.
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Concentration of drivers on traffic is a vital safety issue; thus, monitoring a driver being on road becomes an essential requirement. The key purpose of supervision is to detect abnormal behaviours of the driver and promptly send warnings to him her for avoiding incidents related to traffic accidents. In this paper, to meet the requirement, based on radar sensors applications, the authors first use a small sized millimetre wave radar installed at the steering wheel of the vehicle to collect signals from different head movements of the driver. The received signals consist of the reflection patterns that change in response to the head movements of the driver. Then, in order to distinguish these different movements, a classifier based on the measured signal of the radar sensor is designed. However, since the collected data set is not large, in this paper, the authors propose One shot learning to classify four cases of driver's head movements. The experimental results indicate that the proposed method can classify the four types of cases according to the various head movements of the driver with a high accuracy reaching up to 100. In addition, the classification performance of the proposed method is significantly better than that of the convolutional neural network model.
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Deep learning (DL) models have become increasingly popular in identifying software vulnerabilities. Prior studies found that vulnerabilities across different vulnerable programs may exhibit similar vulnerable scopes, implicitly forming discernible vulnerability patterns that can be learned by DL models through supervised training. However, vulnerable scopes still manifest in various spatial locations and formats within a program, posing challenges for models to accurately identify vulnerable statements. Despite this challenge, state-of-the-art vulnerability detection approaches fail to exploit the vulnerability patterns that arise in vulnerable programs. To take full advantage of vulnerability patterns and unleash the ability of DL models, we propose a novel vulnerability-matching approach in this paper, drawing inspiration from program analysis tools that locate vulnerabilities based on pre-defined patterns. Specifically, a vulnerability codebook is learned, which consists of quantized vectors representing various vulnerability patterns. During inference, the codebook is iterated to match all learned patterns and predict the presence of potential vulnerabilities within a given program. Our approach was extensively evaluated on a real-world dataset comprising more than 188,000 C/C++ functions. The evaluation results show that our approach achieves an F1-score of 94% (6% higher than the previous best) and 82% (19% higher than the previous best) for function and statement-level vulnerability identification, respectively. These substantial enhancements highlight the effectiveness of our approach to identifying vulnerabilities. The training code and pre-trained models are available at https://github.com/optimatch/optimatch.
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Power quality (PQ) events are recorded by PQ meters whenever anomalous events are detected on the power grid. Using neural networks with machine learning can aid in accurately classifying the recorded waveforms and help power system engineers diagnose and rectify the root causes of problems. However, many of the waveforms captured during a disturbance in the power system need to be labeled for supervised learning, leaving a large number of data recordings for engineers to process manually or go unseen. This paper presents an autoencoder and K-means clustering-based unsupervised technique that can be used to cluster PQ events into categories like sag, interruption, transients, normal, and harmonic distortion to enable filtering of anomalous waveforms from recurring or normal waveforms. The method is demonstrated using three-phase, field-obtained voltage waveforms recorded in a distribution grid. First, a convolutional autoencoder compresses the input signals into a set of lower feature dimensions which, after further processing, is passed to the K-means algorithm to identify data clusters. Using a small, labeled dataset, numerical labels are then assigned to events based on a cosine similarity analysis. Finally, the study analyzes the clusters using the t-distributed stochastic neighbor embedding (t-SNE) visualization tool, demonstrating that the technique can help investigate a large number of captured events in a quick manner.
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]
Reinforcement learning has gained significant traction in the field of robotic navigation. However, a persistent challenge is its sample inefficiency, primarily due to the inherent complexities of encouraging exploration. During training, the mobile agent must explore as much as possible to efficiently learn optimal behaviors. We introduce Ada-NAV, a novel adaptive trajectory length scheme designed to enhance the training sample efficiency of reinforcement learning algorithms in robotic navigation tasks. Unlike traditional approaches that treat trajectory length as a fixed hyperparameter, Ada-NAV dynamically adjusts it based on the entropy of the underlying navigation policy. We empirically validate the efficacy of AdaNAV using two popular policy gradient methods: REINFORCE and Proximal Policy Optimization (PPO). We demonstrate through both simulated and real-world robotic experiments that Ada-NAV outperforms conventional methods that employ constant or randomly sampled trajectory lengths. Specifically, for a fixed sample budget, Ada-NAV achieves an 18% increase in navigation success rate, a 20-38% reduction in navigation path length, and a 9.32% decrease in elevation costs. Furthermore, we showcase the versatility of Ada-NAV by integrating it with the Clearpath Husky robot, illustrating its applicability in complex, outdoor environments.
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Accurate measurement of optical absorption coefficients from photoacoustic imaging (PAI) data would enable direct mapping of molecular concentrations, providing vital clinical insight. The ill-posed nature of the problem of absorption coefficient recovery has prohibited PAI from achieving this goal in living systems due to the domain gap between simulation and experiment. To bridge this gap, we introduce a collection of experimentally well-characterised imaging phantoms and their digital twins. This first-of-a-kind phantom data set enables supervised training of a U-Net on experimental data for pixel-wise estimation of absorption coefficients. We show that training on simulated data results in artefacts and biases in the estimates, reinforcing the existence of a domain gap between simulation and experiment. Training on experimentally acquired data, however, yielded more accurate and robust estimates of optical absorption coefficients. We compare the results to fluence correction with a Monte Carlo model from reference optical properties of the materials, which yields a quantification error of approximately 20%. Application of the trained U-Nets to a blood flow phantom demonstrated spectral biases when training on simulated data, while application to a mouse model highlighted the ability of both learning-based approaches to recover the depth-dependent loss of signal intensity. We demonstrate that training on experimental phantoms can restore the correlation of signal amplitudes measured in depth. While the absolute quantification error remains high and further improvements are needed, our results highlight the promise of deep learning to advance quantitative PAI.
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We present Strokes2Surface, an offline geometry reconstruction pipeline that recovers well-connected curve networks from imprecise 4D sketches to bridge concept design and digital modeling stages in architectural design. The input to our pipeline consists of 3D strokes' polyline vertices and their timestamps as the 4th dimension, along with additional metadata recorded throughout sketching. Inspired by architectural sketching practices, our pipeline combines a classifier and two clustering models to achieve its goal. First, with a set of extracted hand-engineered features from the sketch, the classifier recognizes the type of individual strokes between those depicting boundaries (Shape strokes) and those depicting enclosed areas (Scribble strokes). Next, the two clustering models parse strokes of each type into distinct groups, each representing an individual edge or face of the intended architectural object. Curve networks are then formed through topology recovery of consolidated Shape clusters and surfaced using Scribble clusters guiding the cycle discovery. Our evaluation is threefold: We confirm the usability of the Strokes2Surface pipeline in architectural design use cases via a user study, we validate our choice of features via statistical analysis and ablation studies on our collected dataset, and we compare our outputs against a range of reconstructions computed using alternative methods.
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Quadruped animals seamlessly transition between gaits as they change locomotion speeds. While the most widely accepted explanation for gait transitions is energy efficiency, there is no clear consensus on the determining factor, nor on the potential effects from terrain properties. In this article, we propose that viability, i.e. the avoidance of falls, represents an important criterion for gait transitions. We investigate the emergence of gait transitions through the interaction between supraspinal drive (brain), the central pattern generator in the spinal cord, the body, and exteroceptive sensing by leveraging deep reinforcement learning and robotics tools. Consistent with quadruped animal data, we show that the walk-trot gait transition for quadruped robots on flat terrain improves both viability and energy efficiency. Furthermore, we investigate the effects of discrete terrain (i.e. crossing successive gaps) on imposing gait transitions, and find the emergence of trot-pronk transitions to avoid non-viable states. Compared with other potential criteria such as peak forces and energy efficiency, viability is the only improved factor after gait transitions on both flat and discrete gap terrains, suggesting that viability could be a primary and universal objective of gait transitions, while other criteria are secondary objectives and/or a consequence of viability. Moreover, we deploy our learned controller in sim-to-real hardware experiments and demonstrate state-of-the-art quadruped agility in challenging scenarios, where the Unitree A1 quadruped autonomously transitions gaits between trot and pronk to cross consecutive gaps of up to 30 cm (83.3 % of the body-length) at over 1.3 m/s.
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The Gaussian process latent variable model (GPLVM) is a popular probabilistic method used for nonlinear dimension reduction, matrix factorization, and state-space modeling. Inference for GPLVMs is computationally tractable only when the data likelihood is Gaussian. Moreover, inference for GPLVMs has typically been restricted to obtaining maximum a posteriori point estimates, which can lead to overfitting, or variational approximations, which mischaracterize the posterior uncertainty. Here, we present a method to perform Markov chain Monte Carlo (MCMC) inference for generalized Bayesian nonlinear latent variable modeling. The crucial insight necessary to generalize GPLVMs to arbitrary observation models is that we approximate the kernel function in the Gaussian process mappings with random Fourier features; this allows us to compute the gradient of the posterior in closed form with respect to the latent variables. We show that we can generalize GPLVMs to non-Gaussian observations, such as Poisson, negative binomial, and multinomial distributions, using our random feature latent variable model (RFLVM). Our generalized RFLVMs perform on par with state-of-the-art latent variable models on a wide range of applications, including motion capture, images, and text data for the purpose of estimating the latent structure and imputing the missing data of these complex data sets.
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This paper presents a Predictive Maneuver Planning with Deep Reinforcement Learning (PMP-DRL) model for maneuver planning. Traditional rule-based maneuver planning approaches often have to improve their abilities to handle the variabilities of real-world driving scenarios. By learning from its experience, a Reinforcement Learning (RL)-based driving agent can adapt to changing driving conditions and improve its performance over time. Our proposed approach combines a predictive model and an RL agent to plan for comfortable and safe maneuvers. The predictive model is trained using historical driving data to predict the future positions of other surrounding vehicles. The surrounding vehicles' past and predicted future positions are embedded in context-aware grid maps. At the same time, the RL agent learns to make maneuvers based on this spatio-temporal context information. Performance evaluation of PMP-DRL has been carried out using simulated environments generated from publicly available NGSIM US101 and I80 datasets. The training sequence shows the continuous improvement in the driving experiences. It shows that proposed PMP-DRL can learn the trade-off between safety and comfortability. The decisions generated by the recent imitation learning-based model are compared with the proposed PMP-DRL for unseen scenarios. The results clearly show that PMP-DRL can handle complex real-world scenarios and make better comfortable and safe maneuver decisions than rule-based and imitative models.
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Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as density functional theory (DFT). While numerous quantum chemistry datasets focus on chemical properties and atomic forces, the ability to achieve accurate and efficient prediction of the Hamiltonian matrix is highly desired, as it is the most important and fundamental physical quantity that determines the quantum states of physical systems and chemical properties. In this work, we generate a new Quantum Hamiltonian dataset, named as QH9, to provide precise Hamiltonian matrices for 2,399 molecular dynamics trajectories and 130,831 stable molecular geometries, based on the QM9 dataset. By designing benchmark tasks with various molecules, we show that current machine learning models have the capacity to predict Hamiltonian matrices for arbitrary molecules. Both the QH9 dataset and the baseline models are provided to the community through an open-source benchmark, which can be highly valuable for developing machine learning methods and accelerating molecular and materials design for scientific and technological applications. Our benchmark is publicly available at https://github.com/divelab/AIRS/tree/main/OpenDFT/QHBench.
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We consider the problem of subset selection where one is given multiple rankings of items and the goal is to select the highest ``quality'' subset. Score functions from the multiwinner voting literature have been used to aggregate rankings into quality scores for subsets. We study this setting of subset selection problems when, in addition, rankings may contain systemic or unconscious biases toward a group of items. For a general model of input rankings and biases, we show that requiring the selected subset to satisfy group fairness constraints can improve the quality of the selection with respect to unbiased rankings. Importantly, we show that for fairness constraints to be effective, different multiwinner score functions may require a drastically different number of rankings: While for some functions, fairness constraints need an exponential number of rankings to recover a close-to-optimal solution, for others, this dependency is only polynomial. This result relies on a novel notion of ``smoothness'' of submodular functions in this setting that quantifies how well a function can ``correctly'' assess the quality of items in the presence of bias. The results in this paper can be used to guide the choice of multiwinner score functions for the subset selection setting considered here; we additionally provide a tool to empirically enable this.
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Machine learning techniques paired with the availability of massive datasets dramatically enhance our ability to explore the chemical compound space by providing fast and accurate predictions of molecular properties. However, learning on large datasets is strongly limited by the availability of computational resources and can be infeasible in some scenarios. Moreover, the instances in the datasets may not yet be labelled and generating the labels can be costly, as in the case of quantum chemistry computations. Thus, there is a need to select small training subsets from large pools of unlabelled data points and to develop reliable ML methods that can effectively learn from small training sets. This work focuses on predicting the molecules atomization energy in the QM9 dataset. We investigate the advantages of employing domain knowledge-based data sampling methods for an efficient training set selection combined with informed ML techniques. In particular, we show how maximizing molecular diversity in the training set selection process increases the robustness of linear and nonlinear regression techniques such as kernel methods and graph neural networks. We also check the reliability of the predictions made by the graph neural network with a model-agnostic explainer based on the rate distortion explanation framework.
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Foley sound generation aims to synthesise the background sound for multimedia content. Previous models usually employ a large development set with labels as input (e.g., single numbers or one-hot vector). In this work, we propose a diffusion model based system for Foley sound generation with text conditions. To alleviate the data scarcity issue, our model is initially pre-trained with large-scale datasets and fine-tuned to this task via transfer learning using the contrastive language-audio pertaining (CLAP) technique. We have observed that the feature embedding extracted by the text encoder can significantly affect the performance of the generation model. Hence, we introduce a trainable layer after the encoder to improve the text embedding produced by the encoder. In addition, we further refine the generated waveform by generating multiple candidate audio clips simultaneously and selecting the best one, which is determined in terms of the similarity score between the embedding of the candidate clips and the embedding of the target text label. Using the proposed method, our system ranks ${1}^{st}$ among the systems submitted to DCASE Challenge 2023 Task 7. The results of the ablation studies illustrate that the proposed techniques significantly improve sound generation performance. The codes for implementing the proposed system are available online.
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In the investment industry, it is often essential to carry out fine-grained company similarity quantification for a range of purposes, including market mapping, competitor analysis, and mergers and acquisitions. We propose and publish a knowledge graph, named CompanyKG, to represent and learn diverse company features and relations. Specifically, 1.17 million companies are represented as nodes enriched with company description embeddings; and 15 different inter-company relations result in 51.06 million weighted edges. To enable a comprehensive assessment of methods for company similarity quantification, we have devised and compiled three evaluation tasks with annotated test sets: similarity prediction, competitor retrieval and similarity ranking. We present extensive benchmarking results for 11 reproducible predictive methods categorized into three groups: node-only, edge-only, and node+edge. To the best of our knowledge, CompanyKG is the first large-scale heterogeneous graph dataset originating from a real-world investment platform, tailored for quantifying inter-company similarity.
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Inference and prediction of routes have become of interest over the past decade owing to a dramatic increase in package delivery and ride-sharing services. Given the underlying combinatorial structure and the incorporation of probabilities, route prediction involves techniques from both formal methods and machine learning. One promising approach for predicting routes uses decision diagrams that are augmented with probability values. However, the effectiveness of this approach depends on the size of the compiled decision diagrams. The scalability of the approach is limited owing to its empirical runtime and space complexity. In this work, our contributions are two-fold: first, we introduce a relaxed encoding that uses a linear number of variables with respect to the number of vertices in a road network graph to significantly reduce the size of resultant decision diagrams. Secondly, instead of a stepwise sampling procedure, we propose a single pass sampling-based route prediction. In our evaluations arising from a real-world road network, we demonstrate that the resulting system achieves around twice the quality of suggested routes while being an order of magnitude faster compared to state-of-the-art.
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The recommendation algorithm based on knowledge graphs is at a relatively mature stage. However, there are still some problems in the recommendation of specific areas. For example, in the tourism field, selecting suitable tourist attraction attributes process is complicated as the recommendation basis for tourist attractions. In this paper, we propose the improved Attention Knowledge Graph Convolution Network model, named ($Att-KGCN$), which automatically discovers the neighboring entities of the target scenic spot semantically. The attention layer aggregates relatively similar locations and represents them with an adjacent vector. Then, according to the tourist's preferred choices, the model predicts the probability of similar spots as a recommendation system. A knowledge graph dataset of tourist attractions used based on tourism data on Socotra Island-Yemen. Through experiments, it is verified that the Attention Knowledge Graph Convolution Network has a good effect on the recommendation of tourist attractions and can make more recommendations for tourists' choices.
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Fully Homomorphic Encryption (FHE) is a cryptographic method that guarantees the privacy and security of user data during computation. FHE algorithms can perform unlimited arithmetic computations directly on encrypted data without decrypting it. Thus, even when processed by untrusted systems, confidential data is never exposed. In this work, we develop new techniques for accelerated encrypted execution and demonstrate the significant performance advantages of our approach. Our current focus is the Fully Homomorphic Encryption over the Torus (CGGI) scheme, which is a current state-of-the-art method for evaluating arbitrary functions in the encrypted domain. CGGI represents a computation as a graph of homomorphic logic gates and each individual bit of the plaintext is transformed into a polynomial in the encrypted domain. Arithmetic on such data becomes very expensive: operations on bits become operations on entire polynomials. Therefore, evaluating even relatively simple nonlinear functions, such as a sigmoid, can take thousands of seconds on a single CPU thread. Using our novel framework for end-to-end accelerated encrypted execution called ArctyrEX, developers with no knowledge of complex FHE libraries can simply describe their computation as a C program that is evaluated over $40\times$ faster on an NVIDIA DGX A100 and $6\times$ faster with a single A100 relative to a 256-threaded CPU baseline.
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The development of variational quantum algorithms is crucial for the application of NISQ computers. Such algorithms require short quantum circuits, which are more amenable to implementation on near-term hardware, and many such methods have been developed. One of particular interest is the so-called the variational diagonalization method, which constitutes an important algorithmic subroutine, and it can be used directly for working with data encoded in quantum states. In particular, it can be applied to discern the features of quantum states, such as entanglement properties of a system, or in quantum machine learning algorithms. In this work, we tackle the problem of designing a very shallow quantum circuit, required in the quantum state diagonalization task, by utilizing reinforcement learning. To achieve this, we utilize a novel encoding method that can be used to tackle the problem of circuit depth optimization using a reinforcement learning approach. We demonstrate that our approach provides a solid approximation to the diagonalization task while using a small number of gates. The circuits proposed by the reinforcement learning methods are shallower than the standard variational quantum state diagonalization algorithm, and thus can be used in situations where the depth of quantum circuits is limited by the hardware capabilities.
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We introduce PyRCA, an open-source Python machine learning library of Root Cause Analysis (RCA) for Artificial Intelligence for IT Operations (AIOps). It provides a holistic framework to uncover the complicated metric causal dependencies and automatically locate root causes of incidents. It offers a unified interface for multiple commonly used RCA models, encompassing both graph construction and scoring tasks. This library aims to provide IT operations staff, data scientists, and researchers a one-step solution to rapid model development, model evaluation and deployment to online applications. In particular, our library includes various causal discovery methods to support causal graph construction, and multiple types of root cause scoring methods inspired by Bayesian analysis, graph analysis and causal analysis, etc. Our GUI dashboard offers practitioners an intuitive point-and-click interface, empowering them to easily inject expert knowledge through human interaction. With the ability to visualize causal graphs and the root cause of incidents, practitioners can quickly gain insights and improve their workflow efficiency. This technical report introduces PyRCA's architecture and major functionalities, while also presenting benchmark performance numbers in comparison to various baseline models. Additionally, we demonstrate PyRCA's capabilities through several example use cases.
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Rapid advancements in artificial intelligence (AI) have sparked growing concerns among experts, policymakers, and world leaders regarding the potential for increasingly advanced AI systems to pose catastrophic risks. Although numerous risks have been detailed separately, there is a pressing need for a systematic discussion and illustration of the potential dangers to better inform efforts to mitigate them. This paper provides an overview of the main sources of catastrophic AI risks, which we organize into four categories: malicious use, in which individuals or groups intentionally use AIs to cause harm; AI race, in which competitive environments compel actors to deploy unsafe AIs or cede control to AIs; organizational risks, highlighting how human factors and complex systems can increase the chances of catastrophic accidents; and rogue AIs, describing the inherent difficulty in controlling agents far more intelligent than humans. For each category of risk, we describe specific hazards, present illustrative stories, envision ideal scenarios, and propose practical suggestions for mitigating these dangers. Our goal is to foster a comprehensive understanding of these risks and inspire collective and proactive efforts to ensure that AIs are developed and deployed in a safe manner. Ultimately, we hope this will allow us to realize the benefits of this powerful technology while minimizing the potential for catastrophic outcomes.
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Detecting duplicate patient participation in clinical trials is a major challenge because repeated patients can undermine the credibility and accuracy of the trial's findings and result in significant health and financial risks. Developing accurate automated speaker verification (ASV) models is crucial to verify the identity of enrolled individuals and remove duplicates, but the size and quality of data influence ASV performance. However, there has been limited investigation into the factors that can affect ASV capabilities in clinical environments. In this paper, we bridge the gap by conducting analysis of how participant demographic characteristics, audio quality criteria, and severity level of Alzheimer's disease (AD) impact the performance of ASV utilizing a dataset of speech recordings from 659 participants with varying levels of AD, obtained through multiple speech tasks. Our results indicate that ASV performance: 1) is slightly better on male speakers than on female speakers; 2) degrades for individuals who are above 70 years old; 3) is comparatively better for non-native English speakers than for native English speakers; 4) is negatively affected by clinician interference, noisy background, and unclear participant speech; 5) tends to decrease with an increase in the severity level of AD. Our study finds that voice biometrics raise fairness concerns as certain subgroups exhibit different ASV performances owing to their inherent voice characteristics. Moreover, the performance of ASV is influenced by the quality of speech recordings, which underscores the importance of improving the data collection settings in clinical trials.
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Machine learning algorithms are powerful tools for data driven tasks such as image classification and feature detection, however their vulnerability to adversarial examples - input samples manipulated to fool the algorithm - remains a serious challenge. The integration of machine learning with quantum computing has the potential to yield tools offering not only better accuracy and computational efficiency, but also superior robustness against adversarial attacks. Indeed, recent work has employed quantum mechanical phenomena to defend against adversarial attacks, spurring the rapid development of the field of quantum adversarial machine learning (QAML) and potentially yielding a new source of quantum advantage. Despite promising early results, there remain challenges towards building robust real-world QAML tools. In this review we discuss recent progress in QAML and identify key challenges. We also suggest future research directions which could determine the route to practicality for QAML approaches as quantum computing hardware scales up and noise levels are reduced.
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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.
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Epilepsy is one of the most serious neurological diseases, affecting 1-2% of the world's population. The diagnosis of epilepsy depends heavily on the recognition of epileptic waves, i.e., disordered electrical brainwave activity in the patient's brain. Existing works have begun to employ machine learning models to detect epileptic waves via cortical electroencephalogram (EEG). However, the recently developed stereoelectrocorticography (SEEG) method provides information in stereo that is more precise than conventional EEG, and has been broadly applied in clinical practice. Therefore, we propose the first data-driven study to detect epileptic waves in a real-world SEEG dataset. While offering new opportunities, SEEG also poses several challenges. In clinical practice, epileptic wave activities are considered to propagate between different regions in the brain. These propagation paths, also known as the epileptogenic network, are deemed to be a key factor in the context of epilepsy surgery. However, the question of how to extract an exact epileptogenic network for each patient remains an open problem in the field of neuroscience. To address these challenges, we propose a novel model (BrainNet) that jointly learns the dynamic diffusion graphs and models the brain wave diffusion patterns. In addition, our model effectively aids in resisting label imbalance and severe noise by employing several self-supervised learning tasks and a hierarchical framework. By experimenting with the extensive real SEEG dataset obtained from multiple patients, we find that BrainNet outperforms several latest state-of-the-art baselines derived from time-series analysis.
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Brain signals are important quantitative data for understanding physiological activities and diseases of human brain. Most existing studies pay attention to supervised learning methods, which, however, require high-cost clinical labels. In addition, the huge difference in the clinical patterns of brain signals measured by invasive (e.g., SEEG) and non-invasive (e.g., EEG) methods leads to the lack of a unified method. To handle the above issues, we propose to study the self-supervised learning (SSL) framework for brain signals that can be applied to pre-train either SEEG or EEG data. Intuitively, brain signals, generated by the firing of neurons, are transmitted among different connecting structures in human brain. Inspired by this, we propose MBrain to learn implicit spatial and temporal correlations between different channels (i.e., contacts of the electrode, corresponding to different brain areas) as the cornerstone for uniformly modeling different types of brain signals. Specifically, we represent the spatial correlation by a graph structure, which is built with proposed multi-channel CPC. We theoretically prove that optimizing the goal of multi-channel CPC can lead to a better predictive representation and apply the instantaneou-time-shift prediction task based on it. Then we capture the temporal correlation by designing the delayed-time-shift prediction task. Finally, replace-discriminative-learning task is proposed to preserve the characteristics of each channel. Extensive experiments of seizure detection on both EEG and SEEG large-scale real-world datasets demonstrate that our model outperforms several state-of-the-art time series SSL and unsupervised models, and has the ability to be deployed to clinical practice.
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Multimedia content is of predominance in the modern Web era. In real scenarios, multiple modalities reveal different aspects of item attributes and usually possess different importance to user purchase decisions. However, it is difficult for models to figure out users' true preference towards different modalities since there exists strong statistical correlation between modalities. Even worse, the strong statistical correlation might mislead models to learn the spurious preference towards inconsequential modalities. As a result, when data (modal features) distribution shifts, the learned spurious preference might not guarantee to be as effective on the inference set as on the training set. We propose a novel MOdality DEcorrelating STable learning framework, MODEST for brevity, to learn users' stable preference. Inspired by sample re-weighting techniques, the proposed method aims to estimate a weight for each item, such that the features from different modalities in the weighted distribution are decorrelated. We adopt Hilbert Schmidt Independence Criterion (HSIC) as independence testing measure which is a kernel-based method capable of evaluating the correlation degree between two multi-dimensional and non-linear variables. Our method could be served as a play-and-plug module for existing multimedia recommendation backbones. Extensive experiments on four public datasets and four state-of-the-art multimedia recommendation backbones unequivocally show that our proposed method can improve the performances by a large margin.
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Sequential recommendation requires understanding the dynamic patterns of users' behaviors, contexts, and preferences from their historical interactions. Most existing works focus on modeling user-item interactions only from the item level, ignoring that they are driven by latent shopping intentions (e.g., ballpoint pens, miniatures, etc). The detection of the underlying shopping intentions of users based on their historical interactions is a crucial aspect for e-commerce platforms, such as Amazon, to enhance the convenience and efficiency of their customers' shopping experiences. Despite its significance, the area of main shopping intention detection remains under-investigated in the academic literature. To fill this gap, we propose a graph-regularized stochastic Transformer method, G-STO. By considering intentions as sets of products and user preferences as compositions of intentions, we model both of them as stochastic Gaussian embeddings in the latent representation space. Instead of training the stochastic representations from scratch, we develop a global intention relational graph as prior knowledge for regularization, allowing relevant shopping intentions to be distributionally close. Finally, we feed the newly regularized stochastic embeddings into Transformer-based models to encode sequential information from the intention transitions. We evaluate our main shopping intention identification model on three different real-world datasets, where G-STO achieves significantly superior performances to the baselines by 18.08% in Hit@1, 7.01% in Hit@10, and 6.11% in NDCG@10 on average.
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Avatars, as promising digital assistants in Vehicular Metaverses, can enable drivers and passengers to immerse in 3D virtual spaces, serving as a practical emerging example of Artificial Intelligence of Things (AIoT) in intelligent vehicular environments. The immersive experience is achieved through seamless human-avatar interaction, e.g., augmented reality navigation, which requires intensive resources that are inefficient and impractical to process on intelligent vehicles locally. Fortunately, offloading avatar tasks to RoadSide Units (RSUs) or cloud servers for remote execution can effectively reduce resource consumption. However, the high mobility of vehicles, the dynamic workload of RSUs, and the heterogeneity of RSUs pose novel challenges to making avatar migration decisions. To address these challenges, in this paper, we propose a dynamic migration framework for avatar tasks based on real-time trajectory prediction and Multi-Agent Deep Reinforcement Learning (MADRL). Specifically, we propose a model to predict the future trajectories of intelligent vehicles based on their historical data, indicating the future workloads of RSUs.Based on the expected workloads of RSUs, we formulate the avatar task migration problem as a long-term mixed integer programming problem. To tackle this problem efficiently, the problem is transformed into a Partially Observable Markov Decision Process (POMDP) and solved by multiple DRL agents with hybrid continuous and discrete actions in decentralized. Numerical results demonstrate that our proposed algorithm can effectively reduce the latency of executing avatar tasks by around 25% without prediction and 30% with prediction and enhance user immersive experiences in the AIoT-enabled Vehicular Metaverse (AeVeM).
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Cybersecurity solutions have shown promising performance when detecting ransomware samples that use fixed algorithms and encryption rates. However, due to the current explosion of Artificial Intelligence (AI), sooner than later, ransomware (and malware in general) will incorporate AI techniques to intelligently and dynamically adapt its encryption behavior to be undetected. It might result in ineffective and obsolete cybersecurity solutions, but the literature lacks AI-powered ransomware to verify it. Thus, this work proposes RansomAI, a Reinforcement Learning-based framework that can be integrated into existing ransomware samples to adapt their encryption behavior and stay stealthy while encrypting files. RansomAI presents an agent that learns the best encryption algorithm, rate, and duration that minimizes its detection (using a reward mechanism and a fingerprinting intelligent detection system) while maximizing its damage function. The proposed framework was validated in a ransomware, Ransomware-PoC, that infected a Raspberry Pi 4, acting as a crowdsensor. A pool of experiments with Deep Q-Learning and Isolation Forest (deployed on the agent and detection system, respectively) has demonstrated that RansomAI evades the detection of Ransomware-PoC affecting the Raspberry Pi 4 in a few minutes with >90% accuracy.
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Dataflow scheduling decisions are of vital importance to neural network (NN) accelerators. Recent scalable NN accelerators support a rich set of advanced dataflow techniques. The problems of comprehensively representing and quickly finding optimized dataflow schemes thus become significantly more complicated and challenging. In this work, we first propose comprehensive and pragmatic dataflow representations for temporal and spatial scheduling on scalable multi-node NN architectures. An informal hierarchical taxonomy highlights the tight coupling across different levels of the dataflow space as the major difficulty for fast design exploration. A set of formal tensor-centric directives accurately express various inter-layer and intra-layer schemes, and allow for quickly determining their validity and efficiency. We then build a generic, optimized, and fast dataflow solver, KAPLA, which makes use of the pragmatic directives to explore the design space with effective validity check and efficiency estimation. KAPLA decouples the upper inter-layer level for fast pruning, and solves the lower intra-layer schemes with a novel bottom-up cost descending method. KAPLA achieves within only 2.2% and 7.7% energy overheads on the result dataflow for training and inference, respectively, compared to the exhaustively searched optimal schemes. It also outperforms random and machine-learning-based approaches, with more optimized results and orders of magnitude faster search speedup.
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The recurrent neural network has been greatly developed for effectively solving time-varying problems corresponding to complex environments. However, limited by the way of centralized processing, the model performance is greatly affected by factors like the silos problems of the models and data in reality. Therefore, the emergence of distributed artificial intelligence such as federated learning (FL) makes it possible for the dynamic aggregation among models. However, the integration process of FL is still server-dependent, which may cause a great risk to the overall model. Also, it only allows collaboration between homogeneous models, and does not have a good solution for the interaction between heterogeneous models. Therefore, we propose a Distributed Computation Model (DCM) based on the consortium blockchain network to improve the credibility of the overall model and effective coordination among heterogeneous models. In addition, a Distributed Hierarchical Integration (DHI) algorithm is also designed for the global solution process. Within a group, permissioned nodes collect the local models' results from different permissionless nodes and then sends the aggregated results back to all the permissionless nodes to regularize the processing of the local models. After the iteration is completed, the secondary integration of the local results will be performed between permission nodes to obtain the global results. In the experiments, we verify the efficiency of DCM, where the results show that the proposed model outperforms many state-of-the-art models based on a federated learning framework.
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With the widespread digitization of finance and the increasing popularity of cryptocurrencies, the sophistication of fraud schemes devised by cybercriminals is growing. Money laundering -- the movement of illicit funds to conceal their origins -- can cross bank and national boundaries, producing complex transaction patterns. The UN estimates 2-5\% of global GDP or \$0.8 - \$2.0 trillion dollars are laundered globally each year. Unfortunately, real data to train machine learning models to detect laundering is generally not available, and previous synthetic data generators have had significant shortcomings. A realistic, standardized, publicly-available benchmark is needed for comparing models and for the advancement of the area. To this end, this paper contributes a synthetic financial transaction dataset generator and a set of synthetically generated AML (Anti-Money Laundering) datasets. We have calibrated this agent-based generator to match real transactions as closely as possible and made the datasets public. We describe the generator in detail and demonstrate how the datasets generated can help compare different Graph Neural Networks in terms of their AML abilities. In a key way, using synthetic data in these comparisons can be even better than using real data: the ground truth labels are complete, whilst many laundering transactions in real data are never detected.
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Disk scrubbing is a process aimed at resolving read errors on disks by reading data from the disk. However, scrubbing the entire storage array at once can adversely impact system performance, particularly during periods of high input/output operations. Additionally, the continuous reading of data from disks when scrubbing can result in wear and tear, especially on larger capacity disks, due to the significant time and energy consumption involved. To address these issues, we propose a selective disk scrubbing method that enhances the overall reliability and power efficiency in data centers. Our method employs a Machine Learning model based on Mondrian Conformal prediction to identify specific disks for scrubbing, by proactively predicting the health status of each disk in the storage pool, forecasting n-days in advance, and using an open-source dataset. For disks predicted as non-healthy, we mark them for replacement without further action. For healthy drives, we create a set and quantify their relative health across the entire storage pool based on the predictor's confidence. This enables us to prioritize selective scrubbing for drives with established scrubbing frequency based on the scrub cycle. The method we propose provides an efficient and dependable solution for managing enterprise disk drives. By scrubbing just 22.7% of the total storage disks, we can achieve optimized energy consumption and reduce the carbon footprint of the data center.
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3D perceptual representations are well suited for robot manipulation as they easily encode occlusions and simplify spatial reasoning. Many manipulation tasks require high spatial precision in end-effector pose prediction, which typically demands high-resolution 3D feature grids that are computationally expensive to process. As a result, most manipulation policies operate directly in 2D, foregoing 3D inductive biases. In this paper, we introduce Act3D, a manipulation policy transformer that represents the robot's workspace using a 3D feature field with adaptive resolutions dependent on the task at hand. The model lifts 2D pre-trained features to 3D using sensed depth, and attends to them to compute features for sampled 3D points. It samples 3D point grids in a coarse to fine manner, featurizes them using relative-position attention, and selects where to focus the next round of point sampling. In this way, it efficiently computes 3D action maps of high spatial resolution. Act3D sets a new state-of-the-art in RL-Bench, an established manipulation benchmark, where it achieves 10% absolute improvement over the previous SOTA 2D multi-view policy on 74 RLBench tasks and 22% absolute improvement with 3x less compute over the previous SOTA 3D policy. We quantify the importance of relative spatial attention, large-scale vision-language pre-trained 2D backbones, and weight tying across coarse-to-fine attentions in ablative experiments. Code and videos are available on our project website: https://act3d.github.io/.
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Flaky tests are problematic because they non-deterministically pass or fail for the same software version under test, causing confusion and wasting developer time. While machine learning models have been used to predict flakiness and its root causes, there is less work on providing support to fix the problem. To address this gap, we propose a framework that automatically generates labeled datasets for 13 fix categories and train models to predict the fix category of a flaky test by analyzing the test code only. Though it is unrealistic at this stage to accurately predict the fix itself, the categories provide precise guidance about what part of the test code to look at. Our approach is based on language models, namely CodeBERT and UniXcoder, whose output is fine-tuned with a Feed Forward Neural Network (FNN) or a Siamese Network-based Few Shot Learning (FSL). Our experimental results show that UniXcoder outperforms CodeBERT, in correctly predicting most of the categories of fixes a developer should apply. Furthermore, FSL does not appear to have any significant effect. Given the high accuracy obtained for most fix categories, our proposed framework has the potential to help developers to fix flaky tests quickly and accurately.To aid future research, we make our automated labeling tool, dataset, prediction models, and experimental infrastructure publicly available.
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Despite its broad practical applications such as in fraud prevention, open-set speaker identification (OSI) has received less attention in the speaker recognition community compared to speaker verification (SV). OSI deals with determining if a test speech sample belongs to a speaker from a set of pre-enrolled individuals (in-set) or if it is from an out-of-set speaker. In addition to the typical challenges associated with speech variability, OSI is prone to the "false-alarm problem"; as the size of the in-set speaker population (a.k.a watchlist) grows, the out-of-set scores become larger, leading to increased false alarm rates. This is in particular challenging for applications in financial institutions and border security where the watchlist size is typically of the order of several thousand speakers. Therefore, it is important to systematically quantify the false-alarm problem, and develop techniques that alleviate the impact of watchlist size on detection performance. Prior studies on this problem are sparse, and lack a common benchmark for systematic evaluations. In this paper, we present the first public benchmark for OSI, developed using the VoxCeleb dataset. We quantify the effect of the watchlist size and speech duration on the watchlist-based speaker detection task using three strong neural network based systems. In contrast to the findings from prior research, we show that the commonly adopted adaptive score normalization is not guaranteed to improve the performance for this task. On the other hand, we show that score calibration and score fusion, two other commonly used techniques in SV, result in significant improvements in OSI performance.
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Event logs are widely used to record the status of high-tech systems, making log anomaly detection important for monitoring those systems. Most existing log anomaly detection methods take a log event count matrix or log event sequences as input, exploiting quantitative and/or sequential relationships between log events to detect anomalies. Unfortunately, only considering quantitative or sequential relationships may result in low detection accuracy. To alleviate this problem, we propose a graph-based method for unsupervised log anomaly detection, dubbed Logs2Graphs, which first converts event logs into attributed, directed, and weighted graphs, and then leverages graph neural networks to perform graph-level anomaly detection. Specifically, we introduce One-Class Digraph Inception Convolutional Networks, abbreviated as OCDiGCN, a novel graph neural network model for detecting graph-level anomalies in a collection of attributed, directed, and weighted graphs. By coupling the graph representation and anomaly detection steps, OCDiGCN can learn a representation that is especially suited for anomaly detection, resulting in a high detection accuracy. Importantly, for each identified anomaly, we additionally provide a small subset of nodes that play a crucial role in OCDiGCN's prediction as explanations, which can offer valuable cues for subsequent root cause diagnosis. Experiments on five benchmark datasets show that Logs2Graphs performs at least on par with state-of-the-art log anomaly detection methods on simple datasets while largely outperforming state-of-the-art log anomaly detection methods on complicated datasets.
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Entity resolution (ER) is the process of identifying records that refer to the same entities within one or across multiple databases. Numerous techniques have been developed to tackle ER challenges over the years, with recent emphasis placed on machine and deep learning methods for the matching phase. However, the quality of the benchmark datasets typically used in the experimental evaluations of learning-based matching algorithms has not been examined in the literature. To cover this gap, we propose four different approaches to assessing the difficulty and appropriateness of 13 established datasets: two theoretical approaches, which involve new measures of linearity and existing measures of complexity, and two practical approaches: the difference between the best non-linear and linear matchers, as well as the difference between the best learning-based matcher and the perfect oracle. Our analysis demonstrates that most of the popular datasets pose rather easy classification tasks. As a result, they are not suitable for properly evaluating learning-based matching algorithms. To address this issue, we propose a new methodology for yielding benchmark datasets. We put it into practice by creating four new matching tasks, and we verify that these new benchmarks are more challenging and therefore more suitable for further advancements in the field.
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The Data Science domain has expanded monumentally in both research and industry communities during the past decade, predominantly owing to the Big Data revolution. Artificial Intelligence (AI) and Machine Learning (ML) are bringing more complexities to data engineering applications, which are now integrated into data processing pipelines to process terabytes of data. Typically, a significant amount of time is spent on data preprocessing in these pipelines, and hence improving its e fficiency directly impacts the overall pipeline performance. The community has recently embraced the concept of Dataframes as the de-facto data structure for data representation and manipulation. However, the most widely used serial Dataframes today (R, pandas) experience performance limitations while working on even moderately large data sets. We believe that there is plenty of room for improvement by taking a look at this problem from a high-performance computing point of view. In a prior publication, we presented a set of parallel processing patterns for distributed dataframe operators and the reference runtime implementation, Cylon [1]. In this paper, we are expanding on the initial concept by introducing a cost model for evaluating the said patterns. Furthermore, we evaluate the performance of Cylon on the ORNL Summit supercomputer.
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The effectiveness of ad creatives is greatly influenced by their visual appearance. Advertising platforms can generate ad creatives with different appearances by combining creative elements provided by advertisers. However, with the increasing number of ad creative elements, it becomes challenging to select a suitable combination from the countless possibilities. The industry's mainstream approach is to select individual creative elements independently, which often overlooks the importance of interaction between creative elements during the modeling process. In response, this paper proposes a Cross-Element Combinatorial Selection framework for multiple creative elements, termed CECS. In the encoder process, a cross-element interaction is adopted to dynamically adjust the expression of a single creative element based on the current candidate creatives. In the decoder process, the creative combination problem is transformed into a cascade selection problem of multiple creative elements. A pointer mechanism with a cascade design is used to model the associations among candidates. Comprehensive experiments on real-world datasets show that CECS achieved the SOTA score on offline metrics. Moreover, the CECS algorithm has been deployed in our industrial application, resulting in a significant 6.02% CTR and 10.37% GMV lift, which is beneficial to the business.
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Machine learning (ML) models are vulnerable to membership inference attacks (MIAs), which determine whether a given input is used for training the target model. While there have been many efforts to mitigate MIAs, they often suffer from limited privacy protection, large accuracy drop, and/or requiring additional data that may be difficult to acquire. This work proposes a defense technique, HAMP that can achieve both strong membership privacy and high accuracy, without requiring extra data. To mitigate MIAs in different forms, we observe that they can be unified as they all exploit the ML model's overconfidence in predicting training samples through different proxies. This motivates our design to enforce less confident prediction by the model, hence forcing the model to behave similarly on the training and testing samples. HAMP consists of a novel training framework with high-entropy soft labels and an entropy-based regularizer to constrain the model's prediction while still achieving high accuracy. To further reduce privacy risk, HAMP uniformly modifies all the prediction outputs to become low-confidence outputs while preserving the accuracy, which effectively obscures the differences between the prediction on members and non-members. We conduct extensive evaluation on five benchmark datasets, and show that HAMP provides consistently high accuracy and strong membership privacy. Our comparison with seven state-of-the-art defenses shows that HAMP achieves a superior privacy-utility trade off than those techniques.
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Mean decrease in impurity (MDI) is a popular feature importance measure for random forests (RFs). We show that the MDI for a feature $X_k$ in each tree in an RF is equivalent to the unnormalized $R^2$ value in a linear regression of the response on the collection of decision stumps that split on $X_k$. We use this interpretation to propose a flexible feature importance framework called MDI+. Specifically, MDI+ generalizes MDI by allowing the analyst to replace the linear regression model and $R^2$ metric with regularized generalized linear models (GLMs) and metrics better suited for the given data structure. Moreover, MDI+ incorporates additional features to mitigate known biases of decision trees against additive or smooth models. We further provide guidance on how practitioners can choose an appropriate GLM and metric based upon the Predictability, Computability, Stability framework for veridical data science. Extensive data-inspired simulations show that MDI+ significantly outperforms popular feature importance measures in identifying signal features. We also apply MDI+ to two real-world case studies on drug response prediction and breast cancer subtype classification. We show that MDI+ extracts well-established predictive genes with significantly greater stability compared to existing feature importance measures. All code and models are released in a full-fledged python package on Github.
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Recent years have witnessed the widespread use of artificial intelligence (AI) algorithms and machine learning (ML) models. Despite their tremendous success, a number of vital problems like ML model brittleness, their fairness, and the lack of interpretability warrant the need for the active developments in explainable artificial intelligence (XAI) and formal ML model verification. The two major lines of work in XAI include feature selection methods, e.g. Anchors, and feature attribution techniques, e.g. LIME and SHAP. Despite their promise, most of the existing feature selection and attribution approaches are susceptible to a range of critical issues, including explanation unsoundness and out-of-distribution sampling. A recent formal approach to XAI (FXAI) although serving as an alternative to the above and free of these issues suffers from a few other limitations. For instance and besides the scalability limitation, the formal approach is unable to tackle the feature attribution problem. Additionally, a formal explanation despite being formally sound is typically quite large, which hampers its applicability in practical settings. Motivated by the above, this paper proposes a way to apply the apparatus of formal XAI to the case of feature attribution based on formal explanation enumeration. Formal feature attribution (FFA) is argued to be advantageous over the existing methods, both formal and non-formal. Given the practical complexity of the problem, the paper then proposes an efficient technique for approximating exact FFA. Finally, it offers experimental evidence of the effectiveness of the proposed approximate FFA in comparison to the existing feature attribution algorithms not only in terms of feature importance and but also in terms of their relative order.
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Reinforcement learning has been successful across several applications in which agents have to learn to act in environments with sparse feedback. However, despite this empirical success there is still a lack of theoretical understanding of how the parameters of reinforcement learning models and the features used to represent states interact to control the dynamics of learning. In this work, we use concepts from statistical physics, to study the typical case learning curves for temporal difference learning of a value function with linear function approximators. Our theory is derived under a Gaussian equivalence hypothesis where averages over the random trajectories are replaced with temporally correlated Gaussian feature averages and we validate our assumptions on small scale Markov Decision Processes. We find that the stochastic semi-gradient noise due to subsampling the space of possible episodes leads to significant plateaus in the value error, unlike in traditional gradient descent dynamics. We study how learning dynamics and plateaus depend on feature structure, learning rate, discount factor, and reward function. We then analyze how strategies like learning rate annealing and reward shaping can favorably alter learning dynamics and plateaus. To conclude, our work introduces new tools to open a new direction towards developing a theory of learning dynamics in reinforcement learning.
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Personalized recommendations have a growing importance in direct marketing, which motivates research to enhance customer experiences by knowledge graph (KG) applications. For example, in financial services, companies may benefit from providing relevant financial articles to their customers to cultivate relationships, foster client engagement and promote informed financial decisions. While several approaches center on KG-based recommender systems for improved content, in this study we focus on interpretable KG-based recommender systems for decision making.To this end, we present two knowledge graph-based approaches for personalized article recommendations for a set of customers of a large multinational financial services company. The first approach employs Reinforcement Learning and the second approach uses the XGBoost algorithm for recommending articles to the customers. Both approaches make use of a KG generated from both structured (tabular data) and unstructured data (a large body of text data).Using the Reinforcement Learning-based recommender system we could leverage the graph traversal path leading to the recommendation as a way to generate interpretations (Path Directed Reasoning (PDR)). In the XGBoost-based approach, one can also provide explainable results using post-hoc methods such as SHAP (SHapley Additive exPlanations) and ELI5 (Explain Like I am Five).Importantly, our approach offers explainable results, promoting better decision-making. This study underscores the potential of combining advanced machine learning techniques with KG-driven insights to bolster experience in customer relationship management.
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The dominant theories of rational choice assume logical omniscience. That is, they assume that when facing a decision problem, an agent can perform all relevant computations and determine the truth value of all relevant logical/mathematical claims. This assumption is unrealistic when, for example, we offer bets on remote digits of pi or when an agent faces a computationally intractable planning problem. Furthermore, the assumption of logical omniscience creates contradictions in cases where the environment can contain descriptions of the agent itself. Importantly, strategic interactions as studied in game theory are decision problems in which a rational agent is predicted by its environment (the other players). In this paper, we develop a theory of rational decision making that does not assume logical omniscience. We consider agents who repeatedly face decision problems (including ones like betting on digits of pi or games against other agents). The main contribution of this paper is to provide a sensible theory of rationality for such agents. Roughly, we require that a boundedly rational inductive agent tests each efficiently computable hypothesis infinitely often and follows those hypotheses that keep their promises of high rewards. We then prove that agents that are rational in this sense have other desirable properties. For example, they learn to value random and pseudo-random lotteries at their expected reward. Finally, we consider strategic interactions between different agents and prove a folk theorem for what strategies bounded rational inductive agents can converge to.
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Self-supervised learning (SSL) has shown promising results in various speech and natural language processing applications. However, its efficacy in music information retrieval (MIR) still remains largely unexplored. While previous SSL models pre-trained on music recordings may have been mostly closed-sourced, recent speech models such as wav2vec2.0 have shown promise in music modelling. Nevertheless, research exploring the effectiveness of applying speech SSL models to music recordings has been limited. We explore the music adaption of SSL with two distinctive speech-related models, data2vec1.0 and Hubert, and refer to them as music2vec and musicHuBERT, respectively. We train $12$ SSL models with 95M parameters under various pre-training configurations and systematically evaluate the MIR task performances with 13 different MIR tasks. Our findings suggest that training with music data can generally improve performance on MIR tasks, even when models are trained using paradigms designed for speech. However, we identify the limitations of such existing speech-oriented designs, especially in modelling polyphonic information. Based on the experimental results, empirical suggestions are also given for designing future musical SSL strategies and paradigms.
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The combination of diverse health data (IoT, EHR, and clinical surveys) and scalable-adaptable Artificial Intelligence (AI), has enabled the discovery of physical, behavioral, and psycho-social indicators of pain status. Despite the hype and promise to fundamentally alter the healthcare system with technological advancements, much AI adoption in clinical pain evaluation has been hampered by the heterogeneity of the problem itself and other challenges, such as personalization and fairness. Studies have revealed that many AI (i.e., machine learning or deep learning) models display biases and discriminate against specific population segments (such as those based on gender or ethnicity), which breeds skepticism among medical professionals about AI adaptability. In this paper, we propose a Multi-attribute Fairness Loss (MAFL) based CNN model that aims to account for any sensitive attributes included in the data and fairly predict patients' pain status while attempting to minimize the discrepancies between privileged and unprivileged groups. In order to determine whether the trade-off between accuracy and fairness can be satisfied, we compare the proposed model with well-known existing mitigation procedures, and studies reveal that the implemented model performs favorably in contrast to state-of-the-art methods. Utilizing NIH All-Of-US data, where a cohort of 868 distinct individuals with wearables and EHR data gathered over 1500 days has been taken into consideration to analyze our suggested fair pain assessment system.
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Muscle force and joint kinematics estimation from surface electromyography (sEMG) are essential for real-time biomechanical analysis of the dynamic interplay among neural muscle stimulation, muscle dynamics, and kinetics. Recent advances in deep neural networks (DNNs) have shown the potential to improve biomechanical analysis in a fully automated and reproducible manner. However, the small sample nature and physical interpretability of biomechanical analysis limit the applications of DNNs. This paper presents a novel physics-informed low-shot learning method for sEMG-based estimation of muscle force and joint kinematics. This method seamlessly integrates Lagrange's equation of motion and inverse dynamic muscle model into the generative adversarial network (GAN) framework for structured feature decoding and extrapolated estimation from the small sample data. Specifically, Lagrange's equation of motion is introduced into the generative model to restrain the structured decoding of the high-level features following the laws of physics. And a physics-informed policy gradient is designed to improve the adversarial learning efficiency by rewarding the consistent physical representation of the extrapolated estimations and the physical references. Experimental validations are conducted on two scenarios (i.e. the walking trials and wrist motion trials). Results indicate that the estimations of the muscle forces and joint kinematics are unbiased compared to the physics-based inverse dynamics, which outperforms the selected benchmark methods, including physics-informed convolution neural network (PI-CNN), vallina generative adversarial network (GAN), and multi-layer extreme learning machine (ML-ELM).
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Eye-in-hand cameras have shown promise in enabling greater sample efficiency and generalization in vision-based robotic manipulation. However, for robotic imitation, it is still expensive to have a human teleoperator collect large amounts of expert demonstrations with a real robot. Videos of humans performing tasks, on the other hand, are much cheaper to collect since they eliminate the need for expertise in robotic teleoperation and can be quickly captured in a wide range of scenarios. Therefore, human video demonstrations are a promising data source for learning generalizable robotic manipulation policies at scale. In this work, we augment narrow robotic imitation datasets with broad unlabeled human video demonstrations to greatly enhance the generalization of eye-in-hand visuomotor policies. Although a clear visual domain gap exists between human and robot data, our framework does not need to employ any explicit domain adaptation method, as we leverage the partial observability of eye-in-hand cameras as well as a simple fixed image masking scheme. On a suite of eight real-world tasks involving both 3-DoF and 6-DoF robot arm control, our method improves the success rates of eye-in-hand manipulation policies by 58% (absolute) on average, enabling robots to generalize to both new environment configurations and new tasks that are unseen in the robot demonstration data. See video results at https://giving-robots-a-hand.github.io/ .
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Existing object-search approaches enable robots to search through free pathways, however, robots operating in unstructured human-centered environments frequently also have to manipulate the environment to their needs. In this work, we introduce a novel interactive multi-object search task in which a robot has to open doors to navigate rooms and search inside cabinets and drawers to find target objects. These new challenges require combining manipulation and navigation skills in unexplored environments. We present HIMOS, a hierarchical reinforcement learning approach that learns to compose exploration, navigation, and manipulation skills. To achieve this, we design an abstract high-level action space around a semantic map memory and leverage the explored environment as instance navigation points. We perform extensive experiments in simulation and the real world that demonstrate that, with accurate perception, the decision making of HIMOS effectively transfers to new environments in a zero-shot manner. It shows robustness to unseen subpolicies, failures in their execution, and different robot kinematics. These capabilities open the door to a wide range of downstream tasks across embodied AI and real-world use cases.
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