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Mar 14

EmoLLMs: A Series of Emotional Large Language Models and Annotation Tools for Comprehensive Affective Analysis

Sentiment analysis and emotion detection are important research topics in natural language processing (NLP) and benefit many downstream tasks. With the widespread application of LLMs, researchers have started exploring the application of LLMs based on instruction-tuning in the field of sentiment analysis. However, these models only focus on single aspects of affective classification tasks (e.g. sentimental polarity or categorical emotions), and overlook the regression tasks (e.g. sentiment strength or emotion intensity), which leads to poor performance in downstream tasks. The main reason is the lack of comprehensive affective instruction tuning datasets and evaluation benchmarks, which cover various affective classification and regression tasks. Moreover, although emotional information is useful for downstream tasks, existing downstream datasets lack high-quality and comprehensive affective annotations. In this paper, we propose EmoLLMs, the first series of open-sourced instruction-following LLMs for comprehensive affective analysis based on fine-tuning various LLMs with instruction data, the first multi-task affective analysis instruction dataset (AAID) with 234K data samples based on various classification and regression tasks to support LLM instruction tuning, and a comprehensive affective evaluation benchmark (AEB) with 14 tasks from various sources and domains to test the generalization ability of LLMs. We propose a series of EmoLLMs by fine-tuning LLMs with AAID to solve various affective instruction tasks. We compare our model with a variety of LLMs on AEB, where our models outperform all other open-sourced LLMs, and surpass ChatGPT and GPT-4 in most tasks, which shows that the series of EmoLLMs achieve the ChatGPT-level and GPT-4-level generalization capabilities on affective analysis tasks, and demonstrates our models can be used as affective annotation tools.

LeYOLO, New Scalable and Efficient CNN Architecture for Object Detection

Computational efficiency in deep neural networks is critical for object detection, especially as newer models prioritize speed over efficient computation (FLOP). This evolution has somewhat left behind embedded and mobile-oriented AI object detection applications. In this paper, we focus on design choices of neural network architectures for efficient object detection computation based on FLOP and propose several optimizations to enhance the efficiency of YOLO-based models. Firstly, we introduce an efficient backbone scaling inspired by inverted bottlenecks and theoretical insights from the Information Bottleneck principle. Secondly, we present the Fast Pyramidal Architecture Network (FPAN), designed to facilitate fast multiscale feature sharing while reducing computational resources. Lastly, we propose a Decoupled Network-in-Network (DNiN) detection head engineered to deliver rapid yet lightweight computations for classification and regression tasks. Building upon these optimizations and leveraging more efficient backbones, this paper contributes to a new scaling paradigm for object detection and YOLO-centric models called LeYOLO. Our contribution consistently outperforms existing models in various resource constraints, achieving unprecedented accuracy and flop ratio. Notably, LeYOLO-Small achieves a competitive mAP score of 38.2% on the COCOval with just 4.5 FLOP(G), representing a 42% reduction in computational load compared to the latest state-of-the-art YOLOv9-Tiny model while achieving similar accuracy. Our novel model family achieves a FLOP-to-accuracy ratio previously unattained, offering scalability that spans from ultra-low neural network configurations (< 1 GFLOP) to efficient yet demanding object detection setups (> 4 GFLOPs) with 25.2, 31.3, 35.2, 38.2, 39.3 and 41 mAP for 0.66, 1.47, 2.53, 4.51, 5.8 and 8.4 FLOP(G).

Sequential Training of Neural Networks with Gradient Boosting

This paper presents a novel technique based on gradient boosting to train the final layers of a neural network (NN). Gradient boosting is an additive expansion algorithm in which a series of models are trained sequentially to approximate a given function. A neural network can also be seen as an additive expansion where the scalar product of the responses of the last hidden layer and its weights provide the final output of the network. Instead of training the network as a whole, the proposed algorithm trains the network sequentially in T steps. First, the bias term of the network is initialized with a constant approximation that minimizes the average loss of the data. Then, at each step, a portion of the network, composed of J neurons, is trained to approximate the pseudo-residuals on the training data computed from the previous iterations. Finally, the T partial models and bias are integrated as a single NN with T times J neurons in the hidden layer. Extensive experiments in classification and regression tasks, as well as in combination with deep neural networks, are carried out showing a competitive generalization performance with respect to neural networks trained with different standard solvers, such as Adam, L-BFGS, SGD and deep models. Furthermore, we show that the proposed method design permits to switch off a number of hidden units during test (the units that were last trained) without a significant reduction of its generalization ability. This permits the adaptation of the model to different classification speed requirements on the fly.

UniTabE: A Universal Pretraining Protocol for Tabular Foundation Model in Data Science

Recent advancements in NLP have witnessed the groundbreaking impact of pretrained models, yielding impressive outcomes across various tasks. This study seeks to extend the power of pretraining methodologies to facilitating the prediction over tables in data science, a domain traditionally overlooked, yet inherently challenging due to the plethora of table schemas intrinsic to different tasks. The primary research questions underpinning this work revolve around the establishment of a universal pretraining protocol for tables with varied structures, the generalizability and transferability of learned knowledge across tasks, the adaptation to diverse downstream applications, and the incorporation of incremental columns over time. In response to these challenges, we introduce UniTabE, a straightforward yet effective method designed to process tables in a uniform manner, devoid of constraints imposed by specific table structures. UniTabE's core concept relies on representing each basic table element with a module, termed TabUnit. This is subsequently followed by a Transformer encoder to refine the representation. Moreover, our model is designed to facilitate pretraining and finetuning through the utilization of free-form prompts. In order to implement the pretraining phase, we curated an expansive tabular dataset comprising approximately 13B samples, meticulously gathered from the Kaggle platform. This research primarily centers on classification and regression tasks involving tabular data, and conducts rigorous experimental testing and analyses to validate the effectiveness of our methodology. The experimental results demonstrate UniTabE's superior performance against several baselines across massive benchmarks. This, therefore, underscores UniTabE's potential to significantly enhance the semantic representation of tabular data, thereby marking a significant stride for tabular data analysis.

T-JEPA: Augmentation-Free Self-Supervised Learning for Tabular Data

Self-supervision is often used for pre-training to foster performance on a downstream task by constructing meaningful representations of samples. Self-supervised learning (SSL) generally involves generating different views of the same sample and thus requires data augmentations that are challenging to construct for tabular data. This constitutes one of the main challenges of self-supervision for structured data. In the present work, we propose a novel augmentation-free SSL method for tabular data. Our approach, T-JEPA, relies on a Joint Embedding Predictive Architecture (JEPA) and is akin to mask reconstruction in the latent space. It involves predicting the latent representation of one subset of features from the latent representation of a different subset within the same sample, thereby learning rich representations without augmentations. We use our method as a pre-training technique and train several deep classifiers on the obtained representation. Our experimental results demonstrate a substantial improvement in both classification and regression tasks, outperforming models trained directly on samples in their original data space. Moreover, T-JEPA enables some methods to consistently outperform or match the performance of traditional methods likes Gradient Boosted Decision Trees. To understand why, we extensively characterize the obtained representations and show that T-JEPA effectively identifies relevant features for downstream tasks without access to the labels. Additionally, we introduce regularization tokens, a novel regularization method critical for training of JEPA-based models on structured data.

Fast & Slow Learning: Incorporating Synthetic Gradients in Neural Memory Controllers

Neural Memory Networks (NMNs) have received increased attention in recent years compared to deep architectures that use a constrained memory. Despite their new appeal, the success of NMNs hinges on the ability of the gradient-based optimiser to perform incremental training of the NMN controllers, determining how to leverage their high capacity for knowledge retrieval. This means that while excellent performance can be achieved when the training data is consistent and well distributed, rare data samples are hard to learn from as the controllers fail to incorporate them effectively during model training. Drawing inspiration from the human cognition process, in particular the utilisation of neuromodulators in the human brain, we propose to decouple the learning process of the NMN controllers to allow them to achieve flexible, rapid adaptation in the presence of new information. This trait is highly beneficial for meta-learning tasks where the memory controllers must quickly grasp abstract concepts in the target domain, and adapt stored knowledge. This allows the NMN controllers to quickly determine which memories are to be retained and which are to be erased, and swiftly adapt their strategy to the new task at hand. Through both quantitative and qualitative evaluations on multiple public benchmarks, including classification and regression tasks, we demonstrate the utility of the proposed approach. Our evaluations not only highlight the ability of the proposed NMN architecture to outperform the current state-of-the-art methods, but also provide insights on how the proposed augmentations help achieve such superior results. In addition, we demonstrate the practical implications of the proposed learning strategy, where the feedback path can be shared among multiple neural memory networks as a mechanism for knowledge sharing.

Benchmarking Multimodal AutoML for Tabular Data with Text Fields

We consider the use of automated supervised learning systems for data tables that not only contain numeric/categorical columns, but one or more text fields as well. Here we assemble 18 multimodal data tables that each contain some text fields and stem from a real business application. Our publicly-available benchmark enables researchers to comprehensively evaluate their own methods for supervised learning with numeric, categorical, and text features. To ensure that any single modeling strategy which performs well over all 18 datasets will serve as a practical foundation for multimodal text/tabular AutoML, the diverse datasets in our benchmark vary greatly in: sample size, problem types (a mix of classification and regression tasks), number of features (with the number of text columns ranging from 1 to 28 between datasets), as well as how the predictive signal is decomposed between text vs. numeric/categorical features (and predictive interactions thereof). Over this benchmark, we evaluate various straightforward pipelines to model such data, including standard two-stage approaches where NLP is used to featurize the text such that AutoML for tabular data can then be applied. Compared with human data science teams, the fully automated methodology that performed best on our benchmark (stack ensembling a multimodal Transformer with various tree models) also manages to rank 1st place when fit to the raw text/tabular data in two MachineHack prediction competitions and 2nd place (out of 2380 teams) in Kaggle's Mercari Price Suggestion Challenge.

Kolmogorov-Arnold Neural Networks for High-Entropy Alloys Design

A wide range of deep learning-based machine learning techniques are extensively applied to the design of high-entropy alloys (HEAs), yielding numerous valuable insights. Kolmogorov-Arnold Networks (KAN) is a recently developed architecture that aims to improve both the accuracy and interpretability of input features. In this work, we explore three different datasets for HEA design and demonstrate the application of KAN for both classification and regression models. In the first example, we use a KAN classification model to predict the probability of single-phase formation in high-entropy carbide ceramics based on various properties such as mixing enthalpy and valence electron concentration. In the second example, we employ a KAN regression model to predict the yield strength and ultimate tensile strength of HEAs based on their chemical composition and process conditions including annealing time, cold rolling percentage, and homogenization temperature. The third example involves a KAN classification model to determine whether a certain composition is an HEA or non-HEA, followed by a KAN regressor model to predict the bulk modulus of the identified HEA, aiming to identify HEAs with high bulk modulus. In all three examples, KAN either outperform or match the performance in terms of accuracy such as F1 score for classification and Mean Square Error (MSE), and coefficient of determination (R2) for regression of the multilayer perceptron (MLP) by demonstrating the efficacy of KAN in handling both classification and regression tasks. We provide a promising direction for future research to explore advanced machine learning techniques, which lead to more accurate predictions and better interpretability of complex materials, ultimately accelerating the discovery and optimization of HEAs with desirable properties.

Benchmarking Large Language Models for Molecule Prediction Tasks

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and significant limitations persist in their design and implementation. Notably, LLMs struggle with structured data, such as graphs, and often falter when tasked with answering domain-specific questions requiring deep expertise, such as those in biology and chemistry. In this paper, we explore a fundamental question: Can LLMs effectively handle molecule prediction tasks? Rather than pursuing top-tier performance, our goal is to assess how LLMs can contribute to diverse molecule tasks. We identify several classification and regression prediction tasks across six standard molecule datasets. Subsequently, we carefully design a set of prompts to query LLMs on these tasks and compare their performance with existing Machine Learning (ML) models, which include text-based models and those specifically designed for analysing the geometric structure of molecules. Our investigation reveals several key insights: Firstly, LLMs generally lag behind ML models in achieving competitive performance on molecule tasks, particularly when compared to models adept at capturing the geometric structure of molecules, highlighting the constrained ability of LLMs to comprehend graph data. Secondly, LLMs show promise in enhancing the performance of ML models when used collaboratively. Lastly, we engage in a discourse regarding the challenges and promising avenues to harness LLMs for molecule prediction tasks. The code and models are available at https://github.com/zhiqiangzhongddu/LLMaMol.

Revisiting Graph Neural Networks on Graph-level Tasks: Comprehensive Experiments, Analysis, and Improvements

Graphs are essential data structures for modeling complex interactions in domains such as social networks, molecular structures, and biological systems. Graph-level tasks, which predict properties or classes for the entire graph, are critical for applications, such as molecular property prediction and subgraph counting. Graph Neural Networks (GNNs) have shown promise in these tasks, but their evaluations are often limited to narrow datasets, tasks, and inconsistent experimental setups, restricting their generalizability. To address these limitations, we propose a unified evaluation framework for graph-level GNNs. This framework provides a standardized setting to evaluate GNNs across diverse datasets, various graph tasks (e.g., graph classification and regression), and challenging scenarios, including noisy, imbalanced, and few-shot graphs. Additionally, we propose a novel GNN model with enhanced expressivity and generalization capabilities. Specifically, we enhance the expressivity of GNNs through a k-path rooted subgraph approach, enabling the model to effectively count subgraphs (e.g., paths and cycles). Moreover, we introduce a unified graph contrastive learning algorithm for graphs across diverse domains, which adaptively removes unimportant edges to augment graphs, thereby significantly improving generalization performance. Extensive experiments demonstrate that our model achieves superior performance against fourteen effective baselines across twenty-seven graph datasets, establishing it as a robust and generalizable model for graph-level tasks.

OpenMixup: Open Mixup Toolbox and Benchmark for Visual Representation Learning

Mixup augmentation has emerged as a widely used technique for improving the generalization ability of deep neural networks (DNNs). However, the lack of standardized implementations and benchmarks has impeded recent progress, resulting in poor reproducibility, unfair comparisons, and conflicting insights. In this paper, we introduce OpenMixup, the first mixup augmentation codebase, and benchmark for visual representation learning. Specifically, we train 18 representative mixup baselines from scratch and rigorously evaluate them across 11 image datasets of varying scales and granularity, ranging from fine-grained scenarios to complex non-iconic scenes. We also open-source our modular codebase, including a collection of popular vision backbones, optimization strategies, and analysis toolkits, which not only supports the benchmarking but enables broader mixup applications beyond classification, such as self-supervised learning and regression tasks. Through experiments and empirical analysis, we gain observations and insights on mixup performance-efficiency trade-offs, generalization, and optimization behaviors, and thereby identify preferred choices for different needs. To the best of our knowledge, OpenMixup has facilitated several recent studies. We believe this work can further advance reproducible mixup augmentation research and thereby lay a solid ground for future progress in the community. The source code and user documents are available at https://github.com/Westlake-AI/openmixup.

Scale Mixtures of Neural Network Gaussian Processes

Recent works have revealed that infinitely-wide feed-forward or recurrent neural networks of any architecture correspond to Gaussian processes referred to as Neural Network Gaussian Processes (NNGPs). While these works have extended the class of neural networks converging to Gaussian processes significantly, however, there has been little focus on broadening the class of stochastic processes that such neural networks converge to. In this work, inspired by the scale mixture of Gaussian random variables, we propose the scale mixture of NNGPs for which we introduce a prior distribution on the scale of the last-layer parameters. We show that simply introducing a scale prior on the last-layer parameters can turn infinitely-wide neural networks of any architecture into a richer class of stochastic processes. With certain scale priors, we obtain heavy-tailed stochastic processes, and in the case of inverse gamma priors, we recover Student's t processes. We further analyze the distributions of the neural networks initialized with our prior setting and trained with gradient descents and obtain similar results as for NNGPs. We present a practical posterior-inference algorithm for the scale mixture of NNGPs and empirically demonstrate its usefulness on regression and classification tasks. In particular, we show that in both tasks, the heavy-tailed stochastic processes obtained from our framework are robust to out-of-distribution data.

Predicting the duration of traffic incidents for Sydney greater metropolitan area using machine learning methods

This research presents a comprehensive approach to predicting the duration of traffic incidents and classifying them as short-term or long-term across the Sydney Metropolitan Area. Leveraging a dataset that encompasses detailed records of traffic incidents, road network characteristics, and socio-economic indicators, we train and evaluate a variety of advanced machine learning models including Gradient Boosted Decision Trees (GBDT), Random Forest, LightGBM, and XGBoost. The models are assessed using Root Mean Square Error (RMSE) for regression tasks and F1 score for classification tasks. Our experimental results demonstrate that XGBoost and LightGBM outperform conventional models with XGBoost achieving the lowest RMSE of 33.7 for predicting incident duration and highest classification F1 score of 0.62 for a 30-minute duration threshold. For classification, the 30-minute threshold balances performance with 70.84% short-term duration classification accuracy and 62.72% long-term duration classification accuracy. Feature importance analysis, employing both tree split counts and SHAP values, identifies the number of affected lanes, traffic volume, and types of primary and secondary vehicles as the most influential features. The proposed methodology not only achieves high predictive accuracy but also provides stakeholders with vital insights into factors contributing to incident durations. These insights enable more informed decision-making for traffic management and response strategies. The code is available by the link: https://github.com/Future-Mobility-Lab/SydneyIncidents

Wide and Deep Neural Networks Achieve Optimality for Classification

While neural networks are used for classification tasks across domains, a long-standing open problem in machine learning is determining whether neural networks trained using standard procedures are optimal for classification, i.e., whether such models minimize the probability of misclassification for arbitrary data distributions. In this work, we identify and construct an explicit set of neural network classifiers that achieve optimality. Since effective neural networks in practice are typically both wide and deep, we analyze infinitely wide networks that are also infinitely deep. In particular, using the recent connection between infinitely wide neural networks and Neural Tangent Kernels, we provide explicit activation functions that can be used to construct networks that achieve optimality. Interestingly, these activation functions are simple and easy to implement, yet differ from commonly used activations such as ReLU or sigmoid. More generally, we create a taxonomy of infinitely wide and deep networks and show that these models implement one of three well-known classifiers depending on the activation function used: (1) 1-nearest neighbor (model predictions are given by the label of the nearest training example); (2) majority vote (model predictions are given by the label of the class with greatest representation in the training set); or (3) singular kernel classifiers (a set of classifiers containing those that achieve optimality). Our results highlight the benefit of using deep networks for classification tasks, in contrast to regression tasks, where excessive depth is harmful.

Combining Recurrent, Convolutional, and Continuous-time Models with Linear State-Space Layers

Recurrent neural networks (RNNs), temporal convolutions, and neural differential equations (NDEs) are popular families of deep learning models for time-series data, each with unique strengths and tradeoffs in modeling power and computational efficiency. We introduce a simple sequence model inspired by control systems that generalizes these approaches while addressing their shortcomings. The Linear State-Space Layer (LSSL) maps a sequence u mapsto y by simply simulating a linear continuous-time state-space representation x = Ax + Bu, y = Cx + Du. Theoretically, we show that LSSL models are closely related to the three aforementioned families of models and inherit their strengths. For example, they generalize convolutions to continuous-time, explain common RNN heuristics, and share features of NDEs such as time-scale adaptation. We then incorporate and generalize recent theory on continuous-time memorization to introduce a trainable subset of structured matrices A that endow LSSLs with long-range memory. Empirically, stacking LSSL layers into a simple deep neural network obtains state-of-the-art results across time series benchmarks for long dependencies in sequential image classification, real-world healthcare regression tasks, and speech. On a difficult speech classification task with length-16000 sequences, LSSL outperforms prior approaches by 24 accuracy points, and even outperforms baselines that use hand-crafted features on 100x shorter sequences.

LXMERT: Learning Cross-Modality Encoder Representations from Transformers

Vision-and-language reasoning requires an understanding of visual concepts, language semantics, and, most importantly, the alignment and relationships between these two modalities. We thus propose the LXMERT (Learning Cross-Modality Encoder Representations from Transformers) framework to learn these vision-and-language connections. In LXMERT, we build a large-scale Transformer model that consists of three encoders: an object relationship encoder, a language encoder, and a cross-modality encoder. Next, to endow our model with the capability of connecting vision and language semantics, we pre-train the model with large amounts of image-and-sentence pairs, via five diverse representative pre-training tasks: masked language modeling, masked object prediction (feature regression and label classification), cross-modality matching, and image question answering. These tasks help in learning both intra-modality and cross-modality relationships. After fine-tuning from our pre-trained parameters, our model achieves the state-of-the-art results on two visual question answering datasets (i.e., VQA and GQA). We also show the generalizability of our pre-trained cross-modality model by adapting it to a challenging visual-reasoning task, NLVR2, and improve the previous best result by 22% absolute (54% to 76%). Lastly, we demonstrate detailed ablation studies to prove that both our novel model components and pre-training strategies significantly contribute to our strong results; and also present several attention visualizations for the different encoders. Code and pre-trained models publicly available at: https://github.com/airsplay/lxmert

Dynamic-SUPERB Phase-2: A Collaboratively Expanding Benchmark for Measuring the Capabilities of Spoken Language Models with 180 Tasks

Multimodal foundation models, such as Gemini and ChatGPT, have revolutionized human-machine interactions by seamlessly integrating various forms of data. Developing a universal spoken language model that comprehends a wide range of natural language instructions is critical for bridging communication gaps and facilitating more intuitive interactions. However, the absence of a comprehensive evaluation benchmark poses a significant challenge. We present Dynamic-SUPERB Phase-2, an open and evolving benchmark for the comprehensive evaluation of instruction-based universal speech models. Building upon the first generation, this second version incorporates 125 new tasks contributed collaboratively by the global research community, expanding the benchmark to a total of 180 tasks, making it the largest benchmark for speech and audio evaluation. While the first generation of Dynamic-SUPERB was limited to classification tasks, Dynamic-SUPERB Phase-2 broadens its evaluation capabilities by introducing a wide array of novel and diverse tasks, including regression and sequence generation, across speech, music, and environmental audio. Evaluation results indicate that none of the models performed well universally. SALMONN-13B excelled in English ASR, while WavLLM demonstrated high accuracy in emotion recognition, but current models still require further innovations to handle a broader range of tasks. We will soon open-source all task data and the evaluation pipeline.

Extending the WILDS Benchmark for Unsupervised Adaptation

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

Beyond Binary: Towards Fine-Grained LLM-Generated Text Detection via Role Recognition and Involvement Measurement

The rapid development of large language models (LLMs), like ChatGPT, has resulted in the widespread presence of LLM-generated content on social media platforms, raising concerns about misinformation, data biases, and privacy violations, which can undermine trust in online discourse. While detecting LLM-generated content is crucial for mitigating these risks, current methods often focus on binary classification, failing to address the complexities of real-world scenarios like human-LLM collaboration. To move beyond binary classification and address these challenges, we propose a new paradigm for detecting LLM-generated content. This approach introduces two novel tasks: LLM Role Recognition (LLM-RR), a multi-class classification task that identifies specific roles of LLM in content generation, and LLM Influence Measurement (LLM-IM), a regression task that quantifies the extent of LLM involvement in content creation. To support these tasks, we propose LLMDetect, a benchmark designed to evaluate detectors' performance on these new tasks. LLMDetect includes the Hybrid News Detection Corpus (HNDC) for training detectors, as well as DetectEval, a comprehensive evaluation suite that considers five distinct cross-context variations and two multi-intensity variations within the same LLM role. This allows for a thorough assessment of detectors' generalization and robustness across diverse contexts. Our empirical validation of 10 baseline detection methods demonstrates that fine-tuned PLM-based models consistently outperform others on both tasks, while advanced LLMs face challenges in accurately detecting their own generated content. Our experimental results and analysis offer insights for developing more effective detection models for LLM-generated content. This research enhances the understanding of LLM-generated content and establishes a foundation for more nuanced detection methodologies.

MAMMAL -- Molecular Aligned Multi-Modal Architecture and Language

Drug discovery typically consists of multiple steps, including identifying a target protein key to a disease's etiology, validating that interacting with this target could prevent symptoms or cure the disease, discovering a small molecule or biologic therapeutic to interact with it, and optimizing the candidate molecule through a complex landscape of required properties. Drug discovery related tasks often involve prediction and generation while considering multiple entities that potentially interact, which poses a challenge for typical AI models. For this purpose we present MAMMAL - Molecular Aligned Multi-Modal Architecture and Language - a method that we applied to create a versatile multi-task foundation model ibm/biomed.omics.bl.sm.ma-ted-458m that learns from large-scale biological datasets (2 billion samples) across diverse modalities, including proteins, small molecules, and genes. We introduce a prompt syntax that supports a wide range of classification, regression, and generation tasks. It allows combining different modalities and entity types as inputs and/or outputs. Our model handles combinations of tokens and scalars and enables the generation of small molecules and proteins, property prediction, and transcriptomic lab test predictions. We evaluated the model on 11 diverse downstream tasks spanning different steps within a typical drug discovery pipeline, where it reaches new SOTA in 9 tasks and is comparable to SOTA in 2 tasks. This performance is achieved while using a unified architecture serving all tasks, in contrast to the original SOTA performance achieved using tailored architectures. The model code and pretrained weights are publicly available at https://github.com/BiomedSciAI/biomed-multi-alignment and https://huggingface.co/ibm/biomed.omics.bl.sm.ma-ted-458m.

BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning

Recent research trends in computational biology have increasingly focused on integrating text and bio-entity modeling, especially in the context of molecules and proteins. However, previous efforts like BioT5 faced challenges in generalizing across diverse tasks and lacked a nuanced understanding of molecular structures, particularly in their textual representations (e.g., IUPAC). This paper introduces BioT5+, an extension of the BioT5 framework, tailored to enhance biological research and drug discovery. BioT5+ incorporates several novel features: integration of IUPAC names for molecular understanding, inclusion of extensive bio-text and molecule data from sources like bioRxiv and PubChem, the multi-task instruction tuning for generality across tasks, and a novel numerical tokenization technique for improved processing of numerical data. These enhancements allow BioT5+ to bridge the gap between molecular representations and their textual descriptions, providing a more holistic understanding of biological entities, and largely improving the grounded reasoning of bio-text and bio-sequences. The model is pre-trained and fine-tuned with a large number of experiments, including 3 types of problems (classification, regression, generation), 15 kinds of tasks, and 21 total benchmark datasets, demonstrating the remarkable performance and state-of-the-art results in most cases. BioT5+ stands out for its ability to capture intricate relationships in biological data, thereby contributing significantly to bioinformatics and computational biology. Our code is available at https://github.com/QizhiPei/BioT5.

PolyMaX: General Dense Prediction with Mask Transformer

Dense prediction tasks, such as semantic segmentation, depth estimation, and surface normal prediction, can be easily formulated as per-pixel classification (discrete outputs) or regression (continuous outputs). This per-pixel prediction paradigm has remained popular due to the prevalence of fully convolutional networks. However, on the recent frontier of segmentation task, the community has been witnessing a shift of paradigm from per-pixel prediction to cluster-prediction with the emergence of transformer architectures, particularly the mask transformers, which directly predicts a label for a mask instead of a pixel. Despite this shift, methods based on the per-pixel prediction paradigm still dominate the benchmarks on the other dense prediction tasks that require continuous outputs, such as depth estimation and surface normal prediction. Motivated by the success of DORN and AdaBins in depth estimation, achieved by discretizing the continuous output space, we propose to generalize the cluster-prediction based method to general dense prediction tasks. This allows us to unify dense prediction tasks with the mask transformer framework. Remarkably, the resulting model PolyMaX demonstrates state-of-the-art performance on three benchmarks of NYUD-v2 dataset. We hope our simple yet effective design can inspire more research on exploiting mask transformers for more dense prediction tasks. Code and model will be made available.

Automated SSIM Regression for Detection and Quantification of Motion Artefacts in Brain MR Images

Motion artefacts in magnetic resonance brain images can have a strong impact on diagnostic confidence. The assessment of MR image quality is fundamental before proceeding with the clinical diagnosis. Motion artefacts can alter the delineation of structures such as the brain, lesions or tumours and may require a repeat scan. Otherwise, an inaccurate (e.g. correct pathology but wrong severity) or incorrect diagnosis (e.g. wrong pathology) may occur. "Image quality assessment" as a fast, automated step right after scanning can assist in deciding if the acquired images are diagnostically sufficient. An automated image quality assessment based on the structural similarity index (SSIM) regression through a residual neural network is proposed in this work. Additionally, a classification into different groups - by subdividing with SSIM ranges - is evaluated. Importantly, this method predicts SSIM values of an input image in the absence of a reference ground truth image. The networks were able to detect motion artefacts, and the best performance for the regression and classification task has always been achieved with ResNet-18 with contrast augmentation. The mean and standard deviation of residuals' distribution were mu=-0.0009 and sigma=0.0139, respectively. Whilst for the classification task in 3, 5 and 10 classes, the best accuracies were 97, 95 and 89\%, respectively. The results show that the proposed method could be a tool for supporting neuro-radiologists and radiographers in evaluating image quality quickly.

TabDPT: Scaling Tabular Foundation Models

The challenges faced by neural networks on tabular data are well-documented and have hampered the progress of tabular foundation models. Techniques leveraging in-context learning (ICL) have shown promise here, allowing for dynamic adaptation to unseen data. ICL can provide predictions for entirely new datasets without further training or hyperparameter tuning, therefore providing very fast inference when encountering a novel task. However, scaling ICL for tabular data remains an issue: approaches based on large language models cannot efficiently process numeric tables, and tabular-specific techniques have not been able to effectively harness the power of real data to improve performance and generalization. We are able to overcome these challenges by training tabular-specific ICL-based architectures on real data with self-supervised learning and retrieval, combining the best of both worlds. Our resulting model -- the Tabular Discriminative Pre-trained Transformer (TabDPT) -- achieves state-of-the-art performance on the CC18 (classification) and CTR23 (regression) benchmarks with no task-specific fine-tuning, demonstrating the adapatability and speed of ICL once the model is pre-trained. TabDPT also demonstrates strong scaling as both model size and amount of available data increase, pointing towards future improvements simply through the curation of larger tabular pre-training datasets and training larger models.

Matbench Discovery -- An evaluation framework for machine learning crystal stability prediction

Matbench Discovery simulates the deployment of machine learning (ML) energy models in a high-throughput search for stable inorganic crystals. We address the disconnect between (i) thermodynamic stability and formation energy and (ii) in-domain vs out-of-distribution performance. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with further insights into trade-offs between various performance metrics. To answer the question which ML methodology performs best at materials discovery, our initial release explores a variety of models including random forests, graph neural networks (GNN), one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials (UIP). Ranked best-to-worst by their test set F1 score on thermodynamic stability prediction, we find CHGNet > M3GNet > MACE > ALIGNN > MEGNet > CGCNN > CGCNN+P > Wrenformer > BOWSR > Voronoi tessellation fingerprints with random forest. The top 3 models are UIPs, the winning methodology for ML-guided materials discovery, achieving F1 scores of ~0.6 for crystal stability classification and discovery acceleration factors (DAF) of up to 5x on the first 10k most stable predictions compared to dummy selection from our test set. We also highlight a sharp disconnect between commonly used global regression metrics and more task-relevant classification metrics. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV/atom above the convex hull where most materials are. Our results highlight the need to focus on classification metrics that actually correlate with improved stability hit rate.

SimMIM: A Simple Framework for Masked Image Modeling

This paper presents SimMIM, a simple framework for masked image modeling. We simplify recently proposed related approaches without special designs such as block-wise masking and tokenization via discrete VAE or clustering. To study what let the masked image modeling task learn good representations, we systematically study the major components in our framework, and find that simple designs of each component have revealed very strong representation learning performance: 1) random masking of the input image with a moderately large masked patch size (e.g., 32) makes a strong pre-text task; 2) predicting raw pixels of RGB values by direct regression performs no worse than the patch classification approaches with complex designs; 3) the prediction head can be as light as a linear layer, with no worse performance than heavier ones. Using ViT-B, our approach achieves 83.8% top-1 fine-tuning accuracy on ImageNet-1K by pre-training also on this dataset, surpassing previous best approach by +0.6%. When applied on a larger model of about 650 million parameters, SwinV2-H, it achieves 87.1% top-1 accuracy on ImageNet-1K using only ImageNet-1K data. We also leverage this approach to facilitate the training of a 3B model (SwinV2-G), that by 40times less data than that in previous practice, we achieve the state-of-the-art on four representative vision benchmarks. The code and models will be publicly available at https://github.com/microsoft/SimMIM.

Improving Black-box Robustness with In-Context Rewriting

Machine learning models often excel on in-distribution (ID) data but struggle with unseen out-of-distribution (OOD) inputs. Most techniques for improving OOD robustness are not applicable to settings where the model is effectively a black box, such as when the weights are frozen, retraining is costly, or the model is leveraged via an API. Test-time augmentation (TTA) is a simple post-hoc technique for improving robustness that sidesteps black-box constraints by aggregating predictions across multiple augmentations of the test input. TTA has seen limited use in NLP due to the challenge of generating effective natural language augmentations. In this work, we propose LLM-TTA, which uses LLM-generated augmentations as TTA's augmentation function. LLM-TTA outperforms conventional augmentation functions across sentiment, toxicity, and news classification tasks for BERT and T5 models, with BERT's OOD robustness improving by an average of 4.30 percentage points without regressing average ID performance. We explore selectively augmenting inputs based on prediction entropy to reduce the rate of expensive LLM augmentations, allowing us to maintain performance gains while reducing the average number of generated augmentations by 57.76%. LLM-TTA is agnostic to the task model architecture, does not require OOD labels, and is effective across low and high-resource settings. We share our data, models, and code for reproducibility.

Scaling the Codebook Size of VQGAN to 100,000 with a Utilization Rate of 99%

In the realm of image quantization exemplified by VQGAN, the process encodes images into discrete tokens drawn from a codebook with a predefined size. Recent advancements, particularly with LLAMA 3, reveal that enlarging the codebook significantly enhances model performance. However, VQGAN and its derivatives, such as VQGAN-FC (Factorized Codes) and VQGAN-EMA, continue to grapple with challenges related to expanding the codebook size and enhancing codebook utilization. For instance, VQGAN-FC is restricted to learning a codebook with a maximum size of 16,384, maintaining a typically low utilization rate of less than 12% on ImageNet. In this work, we propose a novel image quantization model named VQGAN-LC (Large Codebook), which extends the codebook size to 100,000, achieving an utilization rate exceeding 99%. Unlike previous methods that optimize each codebook entry, our approach begins with a codebook initialized with 100,000 features extracted by a pre-trained vision encoder. Optimization then focuses on training a projector that aligns the entire codebook with the feature distributions of the encoder in VQGAN-LC. We demonstrate the superior performance of our model over its counterparts across a variety of tasks, including image reconstruction, image classification, auto-regressive image generation using GPT, and image creation with diffusion- and flow-based generative models. Code and models are available at https://github.com/zh460045050/VQGAN-LC.

Stop Regressing: Training Value Functions via Classification for Scalable Deep RL

Value functions are a central component of deep reinforcement learning (RL). These functions, parameterized by neural networks, are trained using a mean squared error regression objective to match bootstrapped target values. However, scaling value-based RL methods that use regression to large networks, such as high-capacity Transformers, has proven challenging. This difficulty is in stark contrast to supervised learning: by leveraging a cross-entropy classification loss, supervised methods have scaled reliably to massive networks. Observing this discrepancy, in this paper, we investigate whether the scalability of deep RL can also be improved simply by using classification in place of regression for training value functions. We demonstrate that value functions trained with categorical cross-entropy significantly improves performance and scalability in a variety of domains. These include: single-task RL on Atari 2600 games with SoftMoEs, multi-task RL on Atari with large-scale ResNets, robotic manipulation with Q-transformers, playing Chess without search, and a language-agent Wordle task with high-capacity Transformers, achieving state-of-the-art results on these domains. Through careful analysis, we show that the benefits of categorical cross-entropy primarily stem from its ability to mitigate issues inherent to value-based RL, such as noisy targets and non-stationarity. Overall, we argue that a simple shift to training value functions with categorical cross-entropy can yield substantial improvements in the scalability of deep RL at little-to-no cost.

Deep Regression Unlearning

With the introduction of data protection and privacy regulations, it has become crucial to remove the lineage of data on demand from a machine learning (ML) model. In the last few years, there have been notable developments in machine unlearning to remove the information of certain training data efficiently and effectively from ML models. In this work, we explore unlearning for the regression problem, particularly in deep learning models. Unlearning in classification and simple linear regression has been considerably investigated. However, unlearning in deep regression models largely remains an untouched problem till now. In this work, we introduce deep regression unlearning methods that generalize well and are robust to privacy attacks. We propose the Blindspot unlearning method which uses a novel weight optimization process. A randomly initialized model, partially exposed to the retain samples and a copy of the original model are used together to selectively imprint knowledge about the data that we wish to keep and scrub off the information of the data we wish to forget. We also propose a Gaussian fine tuning method for regression unlearning. The existing unlearning metrics for classification are not directly applicable to regression unlearning. Therefore, we adapt these metrics for the regression setting. We conduct regression unlearning experiments for computer vision, natural language processing and forecasting applications. Our methods show excellent performance for all these datasets across all the metrics. Source code: https://github.com/ayu987/deep-regression-unlearning

Large Language Models in the Workplace: A Case Study on Prompt Engineering for Job Type Classification

This case study investigates the task of job classification in a real-world setting, where the goal is to determine whether an English-language job posting is appropriate for a graduate or entry-level position. We explore multiple approaches to text classification, including supervised approaches such as traditional models like Support Vector Machines (SVMs) and state-of-the-art deep learning methods such as DeBERTa. We compare them with Large Language Models (LLMs) used in both few-shot and zero-shot classification settings. To accomplish this task, we employ prompt engineering, a technique that involves designing prompts to guide the LLMs towards the desired output. Specifically, we evaluate the performance of two commercially available state-of-the-art GPT-3.5-based language models, text-davinci-003 and gpt-3.5-turbo. We also conduct a detailed analysis of the impact of different aspects of prompt engineering on the model's performance. Our results show that, with a well-designed prompt, a zero-shot gpt-3.5-turbo classifier outperforms all other models, achieving a 6% increase in Precision@95% Recall compared to the best supervised approach. Furthermore, we observe that the wording of the prompt is a critical factor in eliciting the appropriate "reasoning" in the model, and that seemingly minor aspects of the prompt significantly affect the model's performance.

One Step of Gradient Descent is Provably the Optimal In-Context Learner with One Layer of Linear Self-Attention

Recent works have empirically analyzed in-context learning and shown that transformers trained on synthetic linear regression tasks can learn to implement ridge regression, which is the Bayes-optimal predictor, given sufficient capacity [Aky\"urek et al., 2023], while one-layer transformers with linear self-attention and no MLP layer will learn to implement one step of gradient descent (GD) on a least-squares linear regression objective [von Oswald et al., 2022]. However, the theory behind these observations remains poorly understood. We theoretically study transformers with a single layer of linear self-attention, trained on synthetic noisy linear regression data. First, we mathematically show that when the covariates are drawn from a standard Gaussian distribution, the one-layer transformer which minimizes the pre-training loss will implement a single step of GD on the least-squares linear regression objective. Then, we find that changing the distribution of the covariates and weight vector to a non-isotropic Gaussian distribution has a strong impact on the learned algorithm: the global minimizer of the pre-training loss now implements a single step of pre-conditioned GD. However, if only the distribution of the responses is changed, then this does not have a large effect on the learned algorithm: even when the response comes from a more general family of nonlinear functions, the global minimizer of the pre-training loss still implements a single step of GD on a least-squares linear regression objective.

TaskExpert: Dynamically Assembling Multi-Task Representations with Memorial Mixture-of-Experts

Learning discriminative task-specific features simultaneously for multiple distinct tasks is a fundamental problem in multi-task learning. Recent state-of-the-art models consider directly decoding task-specific features from one shared task-generic feature (e.g., feature from a backbone layer), and utilize carefully designed decoders to produce multi-task features. However, as the input feature is fully shared and each task decoder also shares decoding parameters for different input samples, it leads to a static feature decoding process, producing less discriminative task-specific representations. To tackle this limitation, we propose TaskExpert, a novel multi-task mixture-of-experts model that enables learning multiple representative task-generic feature spaces and decoding task-specific features in a dynamic manner. Specifically, TaskExpert introduces a set of expert networks to decompose the backbone feature into several representative task-generic features. Then, the task-specific features are decoded by using dynamic task-specific gating networks operating on the decomposed task-generic features. Furthermore, to establish long-range modeling of the task-specific representations from different layers of TaskExpert, we design a multi-task feature memory that updates at each layer and acts as an additional feature expert for dynamic task-specific feature decoding. Extensive experiments demonstrate that our TaskExpert clearly outperforms previous best-performing methods on all 9 metrics of two competitive multi-task learning benchmarks for visual scene understanding (i.e., PASCAL-Context and NYUD-v2). Codes and models will be made publicly available at https://github.com/prismformore/Multi-Task-Transformer

A Survey on Graph Neural Networks for Time Series: Forecasting, Classification, Imputation, and Anomaly Detection

Time series are the primary data type used to record dynamic system measurements and generated in great volume by both physical sensors and online processes (virtual sensors). Time series analytics is therefore crucial to unlocking the wealth of information implicit in available data. With the recent advancements in graph neural networks (GNNs), there has been a surge in GNN-based approaches for time series analysis. These approaches can explicitly model inter-temporal and inter-variable relationships, which traditional and other deep neural network-based methods struggle to do. In this survey, we provide a comprehensive review of graph neural networks for time series analysis (GNN4TS), encompassing four fundamental dimensions: forecasting, classification, anomaly detection, and imputation. Our aim is to guide designers and practitioners to understand, build applications, and advance research of GNN4TS. At first, we provide a comprehensive task-oriented taxonomy of GNN4TS. Then, we present and discuss representative research works and introduce mainstream applications of GNN4TS. A comprehensive discussion of potential future research directions completes the survey. This survey, for the first time, brings together a vast array of knowledge on GNN-based time series research, highlighting foundations, practical applications, and opportunities of graph neural networks for time series analysis.

Pretraining task diversity and the emergence of non-Bayesian in-context learning for regression

Pretrained transformers exhibit the remarkable ability of in-context learning (ICL): they can learn tasks from just a few examples provided in the prompt without updating any weights. This raises a foundational question: can ICL solve fundamentally new tasks that are very different from those seen during pretraining? To probe this question, we examine ICL's performance on linear regression while varying the diversity of tasks in the pretraining dataset. We empirically demonstrate a task diversity threshold for the emergence of ICL. Below this threshold, the pretrained transformer cannot solve unseen regression tasks, instead behaving like a Bayesian estimator with the non-diverse pretraining task distribution as the prior. Beyond this threshold, the transformer significantly outperforms this estimator; its behavior aligns with that of ridge regression, corresponding to a Gaussian prior over all tasks, including those not seen during pretraining. Thus, when pretrained on data with task diversity greater than the threshold, transformers can optimally solve fundamentally new tasks in-context. Importantly, this capability hinges on it deviating from the Bayes optimal estimator with the pretraining distribution as the prior. This study also explores the effect of regularization, model capacity and task structure and underscores, in a concrete example, the critical role of task diversity, alongside data and model scale, in the emergence of ICL. Code is available at https://github.com/mansheej/icl-task-diversity.

Adaptive Pattern Extraction Multi-Task Learning for Multi-Step Conversion Estimations

Multi-task learning (MTL) has been successfully used in many real-world applications, which aims to simultaneously solve multiple tasks with a single model. The general idea of multi-task learning is designing kinds of global parameter sharing mechanism and task-specific feature extractor to improve the performance of all tasks. However, challenge still remains in balancing the trade-off of various tasks since model performance is sensitive to the relationships between them. Less correlated or even conflict tasks will deteriorate the performance by introducing unhelpful or negative information. Therefore, it is important to efficiently exploit and learn fine-grained feature representation corresponding to each task. In this paper, we propose an Adaptive Pattern Extraction Multi-task (APEM) framework, which is adaptive and flexible for large-scale industrial application. APEM is able to fully utilize the feature information by learning the interactions between the input feature fields and extracted corresponding tasks-specific information. We first introduce a DeepAuto Group Transformer module to automatically and efficiently enhance the feature expressivity with a modified set attention mechanism and a Squeeze-and-Excitation operation. Second, explicit Pattern Selector is introduced to further enable selectively feature representation learning by adaptive task-indicator vectors. Empirical evaluations show that APEM outperforms the state-of-the-art MTL methods on public and real-world financial services datasets. More importantly, we explore the online performance of APEM in a real industrial-level recommendation scenario.

AnyTaskTune: Advanced Domain-Specific Solutions through Task-Fine-Tuning

The pervasive deployment of Large Language Models-LLMs in various sectors often neglects the nuanced requirements of individuals and small organizations, who benefit more from models precisely tailored to their specific business contexts rather than those with broadly superior general capabilities. This work introduces AnyTaskTune, a novel fine-tuning methodology coined as Task-Fine-Tune, specifically developed to elevate model performance on a diverse array of domain-specific tasks. This method involves a meticulous process to identify and define targeted sub-tasks within a domain, followed by the creation of specialized enhancement datasets for fine-tuning, thereby optimizing task-specific model performance. We conducted comprehensive fine-tuning experiments not only in the legal domain for tasks such as keyword extraction and sentence prediction but across over twenty different sub-tasks derived from the domains of finance, healthcare, law, psychology, consumer services, and human resources. To substantiate our approach and facilitate community engagement, we will open-source these bilingual task datasets. Our findings demonstrate that models fine-tuned using the Task-Fine-Tune methodology not only achieve superior performance on these specific tasks but also significantly outperform models with higher general capabilities in their respective domains. Our work is publicly available at https://github.com/PandaVT/DataTager.

Hierarchical State Space Models for Continuous Sequence-to-Sequence Modeling

Reasoning from sequences of raw sensory data is a ubiquitous problem across fields ranging from medical devices to robotics. These problems often involve using long sequences of raw sensor data (e.g. magnetometers, piezoresistors) to predict sequences of desirable physical quantities (e.g. force, inertial measurements). While classical approaches are powerful for locally-linear prediction problems, they often fall short when using real-world sensors. These sensors are typically non-linear, are affected by extraneous variables (e.g. vibration), and exhibit data-dependent drift. For many problems, the prediction task is exacerbated by small labeled datasets since obtaining ground-truth labels requires expensive equipment. In this work, we present Hierarchical State-Space Models (HiSS), a conceptually simple, new technique for continuous sequential prediction. HiSS stacks structured state-space models on top of each other to create a temporal hierarchy. Across six real-world sensor datasets, from tactile-based state prediction to accelerometer-based inertial measurement, HiSS outperforms state-of-the-art sequence models such as causal Transformers, LSTMs, S4, and Mamba by at least 23% on MSE. Our experiments further indicate that HiSS demonstrates efficient scaling to smaller datasets and is compatible with existing data-filtering techniques. Code, datasets and videos can be found on https://hiss-csp.github.io.

Knowledge Composition using Task Vectors with Learned Anisotropic Scaling

Pre-trained models produce strong generic representations that can be adapted via fine-tuning. The learned weight difference relative to the pre-trained model, known as a task vector, characterises the direction and stride of fine-tuning. The significance of task vectors is such that simple arithmetic operations on them can be used to combine diverse representations from different domains. This paper builds on these properties of task vectors and aims to answer (1) whether components of task vectors, particularly parameter blocks, exhibit similar characteristics, and (2) how such blocks can be used to enhance knowledge composition and transfer. To this end, we introduce aTLAS, an algorithm that linearly combines parameter blocks with different learned coefficients, resulting in anisotropic scaling at the task vector level. We show that such linear combinations explicitly exploit the low intrinsic dimensionality of pre-trained models, with only a few coefficients being the learnable parameters. Furthermore, composition of parameter blocks leverages the already learned representations, thereby reducing the dependency on large amounts of data. We demonstrate the effectiveness of our method in task arithmetic, few-shot recognition and test-time adaptation, with supervised or unsupervised objectives. In particular, we show that (1) learned anisotropic scaling allows task vectors to be more disentangled, causing less interference in composition; (2) task vector composition excels with scarce or no labeled data and is less prone to domain shift, thus leading to better generalisability; (3) mixing the most informative parameter blocks across different task vectors prior to training can reduce the memory footprint and improve the flexibility of knowledge transfer. Moreover, we show the potential of aTLAS as a PEFT method, particularly with less data, and demonstrate that its scalibility.

Mixup Your Own Pairs

In representation learning, regression has traditionally received less attention than classification. Directly applying representation learning techniques designed for classification to regression often results in fragmented representations in the latent space, yielding sub-optimal performance. In this paper, we argue that the potential of contrastive learning for regression has been overshadowed due to the neglect of two crucial aspects: ordinality-awareness and hardness. To address these challenges, we advocate "mixup your own contrastive pairs for supervised contrastive regression", instead of relying solely on real/augmented samples. Specifically, we propose Supervised Contrastive Learning for Regression with Mixup (SupReMix). It takes anchor-inclusive mixtures (mixup of the anchor and a distinct negative sample) as hard negative pairs and anchor-exclusive mixtures (mixup of two distinct negative samples) as hard positive pairs at the embedding level. This strategy formulates harder contrastive pairs by integrating richer ordinal information. Through extensive experiments on six regression datasets including 2D images, volumetric images, text, tabular data, and time-series signals, coupled with theoretical analysis, we demonstrate that SupReMix pre-training fosters continuous ordered representations of regression data, resulting in significant improvement in regression performance. Furthermore, SupReMix is superior to other approaches in a range of regression challenges including transfer learning, imbalanced training data, and scenarios with fewer training samples.

HelpSteer2-Preference: Complementing Ratings with Preferences

Reward models are critical for aligning models to follow instructions, and are typically trained following one of two popular paradigms: Bradley-Terry style or Regression style. However, there is a lack of evidence that either approach is better than the other, when adequately matched for data. This is primarily because these approaches require data collected in different (but incompatible) formats, meaning that adequately matched data is not available in existing public datasets. To tackle this problem, we release preference annotations (designed for Bradley-Terry training) to complement existing ratings (designed for Regression style training) in the HelpSteer2 dataset. To improve data interpretability, preference annotations are accompanied with human-written justifications. Using this data, we conduct the first head-to-head comparison of Bradley-Terry and Regression models when adequately matched for data. Based on insights derived from such a comparison, we propose a novel approach to combine Bradley-Terry and Regression reward modeling. A Llama-3.1-70B-Instruct model tuned with this approach scores 94.1 on RewardBench, emerging top of more than 140 reward models as of 1 Oct 2024. We also demonstrate the effectiveness of this reward model at aligning models to follow instructions in RLHF. We open-source this dataset (CC-BY-4.0 license) at https://huggingface.co/datasets/nvidia/HelpSteer2 and openly release the trained Reward Model at https://huggingface.co/nvidia/Llama-3.1-Nemotron-70B-Reward

Impact of a Batter in ODI Cricket Implementing Regression Models from Match Commentary

Cricket, "a Gentleman's Game", is a prominent sport rising worldwide. Due to the rising competitiveness of the sport, players and team management have become more professional with their approach. Prior studies predicted individual performance or chose the best team but did not highlight the batter's potential. On the other hand, our research aims to evaluate a player's impact while considering his control in various circumstances. This paper seeks to understand the conundrum behind this impactful performance by determining how much control a player has over the circumstances and generating the "Effective Runs",a new measure we propose. We first gathered the fundamental cricket data from open-source datasets; however, variables like pitch, weather, and control were not readily available for all matches. As a result, we compiled our corpus data by analyzing the commentary of the match summaries. This gave us an insight into the particular game's weather and pitch conditions. Furthermore, ball-by-ball inspection from the commentary led us to determine the control of the shots played by the batter. We collected data for the entire One Day International career, up to February 2022, of 3 prominent cricket players: Rohit G Sharma, David A Warner, and Kane S Williamson. Lastly, to prepare the dataset, we encoded, scaled, and split the dataset to train and test Machine Learning Algorithms. We used Multiple Linear Regression (MLR), Polynomial Regression, Support Vector Regression (SVR), Decision Tree Regression, and Random Forest Regression on each player's data individually to train them and predict the Impact the player will have on the game. Multiple Linear Regression and Random Forest give the best predictions accuracy of 90.16 percent and 87.12 percent, respectively.

Balancing Computational Efficiency and Forecast Error in Machine Learning-based Time-Series Forecasting: Insights from Live Experiments on Meteorological Nowcasting

Machine learning for time-series forecasting remains a key area of research. Despite successful application of many machine learning techniques, relating computational efficiency to forecast error remains an under-explored domain. This paper addresses this topic through a series of real-time experiments to quantify the relationship between computational cost and forecast error using meteorological nowcasting as an example use-case. We employ a variety of popular regression techniques (XGBoost, FC-MLP, Transformer, and LSTM) for multi-horizon, short-term forecasting of three variables (temperature, wind speed, and cloud cover) for multiple locations. During a 5-day live experiment, 4000 data sources were streamed for training and inferencing 144 models per hour. These models were parameterized to explore forecast error for two computational cost minimization methods: a novel auto-adaptive data reduction technique (Variance Horizon) and a performance-based concept drift-detection mechanism. Forecast error of all model variations were benchmarked in real-time against a state-of-the-art numerical weather prediction model. Performance was assessed using classical and novel evaluation metrics. Results indicate that using the Variance Horizon reduced computational usage by more than 50\%, while increasing between 0-15\% in error. Meanwhile, performance-based retraining reduced computational usage by up to 90\% while also improving forecast error by up to 10\%. Finally, the combination of both the Variance Horizon and performance-based retraining outperformed other model configurations by up to 99.7\% when considering error normalized to computational usage.

Flexible Model Aggregation for Quantile Regression

Quantile regression is a fundamental problem in statistical learning motivated by a need to quantify uncertainty in predictions, or to model a diverse population without being overly reductive. For instance, epidemiological forecasts, cost estimates, and revenue predictions all benefit from being able to quantify the range of possible values accurately. As such, many models have been developed for this problem over many years of research in statistics, machine learning, and related fields. Rather than proposing yet another (new) algorithm for quantile regression we adopt a meta viewpoint: we investigate methods for aggregating any number of conditional quantile models, in order to improve accuracy and robustness. We consider weighted ensembles where weights may vary over not only individual models, but also over quantile levels, and feature values. All of the models we consider in this paper can be fit using modern deep learning toolkits, and hence are widely accessible (from an implementation point of view) and scalable. To improve the accuracy of the predicted quantiles (or equivalently, prediction intervals), we develop tools for ensuring that quantiles remain monotonically ordered, and apply conformal calibration methods. These can be used without any modification of the original library of base models. We also review some basic theory surrounding quantile aggregation and related scoring rules, and contribute a few new results to this literature (for example, the fact that post sorting or post isotonic regression can only improve the weighted interval score). Finally, we provide an extensive suite of empirical comparisons across 34 data sets from two different benchmark repositories.

Lawma: The Power of Specialization for Legal Tasks

Annotation and classification of legal text are central components of empirical legal research. Traditionally, these tasks are often delegated to trained research assistants. Motivated by the advances in language modeling, empirical legal scholars are increasingly turning to prompting commercial models, hoping that it will alleviate the significant cost of human annotation. Despite growing use, our understanding of how to best utilize large language models for legal tasks remains limited. We conduct a comprehensive study of 260 legal text classification tasks, nearly all new to the machine learning community. Starting from GPT-4 as a baseline, we show that it has non-trivial but highly varied zero-shot accuracy, often exhibiting performance that may be insufficient for legal work. We then demonstrate that a lightly fine-tuned Llama 3 model vastly outperforms GPT-4 on almost all tasks, typically by double-digit percentage points. We find that larger models respond better to fine-tuning than smaller models. A few tens to hundreds of examples suffice to achieve high classification accuracy. Notably, we can fine-tune a single model on all 260 tasks simultaneously at a small loss in accuracy relative to having a separate model for each task. Our work points to a viable alternative to the predominant practice of prompting commercial models. For concrete legal tasks with some available labeled data, researchers are better off using a fine-tuned open-source model.

In-Context Learning through the Bayesian Prism

In-context learning is one of the surprising and useful features of large language models. How it works is an active area of research. Recently, stylized meta-learning-like setups have been devised that train these models on a sequence of input-output pairs (x, f(x)) from a function class using the language modeling loss and observe generalization to unseen functions from the same class. One of the main discoveries in this line of research has been that for several problems such as linear regression, trained transformers learn algorithms for learning functions in context. However, the inductive biases of these models resulting in this behavior are not clearly understood. A model with unlimited training data and compute is a Bayesian predictor: it learns the pretraining distribution. It has been shown that high-capacity transformers mimic the Bayesian predictor for linear regression. In this paper, we show empirical evidence of transformers exhibiting the behavior of this ideal learner across different linear and non-linear function classes. We also extend the previous setups to work in the multitask setting and verify that transformers can do in-context learning in this setup as well and the Bayesian perspective sheds light on this setting also. Finally, via the example of learning Fourier series, we study the inductive bias for in-context learning. We find that in-context learning may or may not have simplicity bias depending on the pretraining data distribution.

A Neural-Guided Dynamic Symbolic Network for Exploring Mathematical Expressions from Data

Symbolic regression (SR) is a powerful technique for discovering the underlying mathematical expressions from observed data. Inspired by the success of deep learning, recent efforts have focused on two categories for SR methods. One is using a neural network or genetic programming to search the expression tree directly. Although this has shown promising results, the large search space poses difficulties in learning constant factors and processing high-dimensional problems. Another approach is leveraging a transformer-based model training on synthetic data and offers advantages in inference speed. However, this method is limited to fixed small numbers of dimensions and may encounter inference problems when given data is out-of-distribution compared to the synthetic data. In this work, we propose DySymNet, a novel neural-guided Dynamic Symbolic Network for SR. Instead of searching for expressions within a large search space, we explore DySymNet with various structures and optimize them to identify expressions that better-fitting the data. With a topology structure like neural networks, DySymNet not only tackles the challenge of high-dimensional problems but also proves effective in optimizing constants. Based on extensive numerical experiments using low-dimensional public standard benchmarks and the well-known SRBench with more variables, our method achieves state-of-the-art performance in terms of fitting accuracy and robustness to noise.

Prompt Tuned Embedding Classification for Multi-Label Industry Sector Allocation

Prompt Tuning is emerging as a scalable and cost-effective method to fine-tune Pretrained Language Models (PLMs), which are often referred to as Large Language Models (LLMs). This study benchmarks the performance and computational efficiency of Prompt Tuning and baselines for multi-label text classification. This is applied to the challenging task of classifying companies into an investment firm's proprietary industry taxonomy, supporting their thematic investment strategy. Text-to-text classification is frequently reported to outperform task-specific classification heads, but has several limitations when applied to a multi-label classification problem where each label consists of multiple tokens: (a) Generated labels may not match any label in the label taxonomy; (b) The fine-tuning process lacks permutation invariance and is sensitive to the order of the provided labels; (c) The model provides binary decisions rather than appropriate confidence scores. Limitation (a) is addressed by applying constrained decoding using Trie Search, which slightly improves classification performance. All limitations (a), (b), and (c) are addressed by replacing the PLM's language head with a classification head, which is referred to as Prompt Tuned Embedding Classification (PTEC). This improves performance significantly, while also reducing computational costs during inference. In our industrial application, the training data is skewed towards well-known companies. We confirm that the model's performance is consistent across both well-known and less-known companies. Our overall results indicate the continuing need to adapt state-of-the-art methods to domain-specific tasks, even in the era of PLMs with strong generalization abilities. We release our codebase and a benchmarking dataset at https://github.com/EQTPartners/PTEC.

A Time Series Analysis-Based Stock Price Prediction Using Machine Learning and Deep Learning Models

Prediction of future movement of stock prices has always been a challenging task for the researchers. While the advocates of the efficient market hypothesis (EMH) believe that it is impossible to design any predictive framework that can accurately predict the movement of stock prices, there are seminal work in the literature that have clearly demonstrated that the seemingly random movement patterns in the time series of a stock price can be predicted with a high level of accuracy. Design of such predictive models requires choice of appropriate variables, right transformation methods of the variables, and tuning of the parameters of the models. In this work, we present a very robust and accurate framework of stock price prediction that consists of an agglomeration of statistical, machine learning and deep learning models. We use the daily stock price data, collected at five minutes interval of time, of a very well known company that is listed in the National Stock Exchange (NSE) of India. The granular data is aggregated into three slots in a day, and the aggregated data is used for building and training the forecasting models. We contend that the agglomerative approach of model building that uses a combination of statistical, machine learning, and deep learning approaches, can very effectively learn from the volatile and random movement patterns in a stock price data. We build eight classification and eight regression models based on statistical and machine learning approaches. In addition to these models, a deep learning regression model using a long-and-short-term memory (LSTM) network is also built. Extensive results have been presented on the performance of these models, and the results are critically analyzed.

A Text Classification Framework for Simple and Effective Early Depression Detection Over Social Media Streams

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

Cross-Task Generalization via Natural Language Crowdsourcing Instructions

Humans (e.g., crowdworkers) have a remarkable ability in solving different tasks, by simply reading textual instructions that define them and looking at a few examples. Despite the success of the conventional supervised learning on individual datasets, such models often struggle with generalization across tasks (e.g., a question-answering system cannot solve classification tasks). A long-standing challenge in AI is to build a model that learns a new task by understanding the human-readable instructions that define it. To study this, we introduce NATURAL INSTRUCTIONS, a dataset of 61 distinct tasks, their human-authored instructions, and 193k task instances (input-output pairs). The instructions are obtained from crowdsourcing instructions used to create existing NLP datasets and mapped to a unified schema. Using this meta-dataset, we measure cross-task generalization by training models on seen tasks and measuring generalization to the remaining unseen ones. We adopt generative pre-trained language models to encode task-specific instructions along with input and generate task output. Our results indicate that models benefit from instructions when evaluated in terms of generalization to unseen tasks (19% better for models utilizing instructions). These models, however, are far behind an estimated performance upperbound indicating significant room for more progress in this direction.

Towards Exact Computation of Inductive Bias

Much research in machine learning involves finding appropriate inductive biases (e.g. convolutional neural networks, momentum-based optimizers, transformers) to promote generalization on tasks. However, quantification of the amount of inductive bias associated with these architectures and hyperparameters has been limited. We propose a novel method for efficiently computing the inductive bias required for generalization on a task with a fixed training data budget; formally, this corresponds to the amount of information required to specify well-generalizing models within a specific hypothesis space of models. Our approach involves modeling the loss distribution of random hypotheses drawn from a hypothesis space to estimate the required inductive bias for a task relative to these hypotheses. Unlike prior work, our method provides a direct estimate of inductive bias without using bounds and is applicable to diverse hypothesis spaces. Moreover, we derive approximation error bounds for our estimation approach in terms of the number of sampled hypotheses. Consistent with prior results, our empirical results demonstrate that higher dimensional tasks require greater inductive bias. We show that relative to other expressive model classes, neural networks as a model class encode large amounts of inductive bias. Furthermore, our measure quantifies the relative difference in inductive bias between different neural network architectures. Our proposed inductive bias metric provides an information-theoretic interpretation of the benefits of specific model architectures for certain tasks and provides a quantitative guide to developing tasks requiring greater inductive bias, thereby encouraging the development of more powerful inductive biases.

70 years of machine learning in geoscience in review

This review gives an overview of the development of machine learning in geoscience. A thorough analysis of the co-developments of machine learning applications throughout the last 70 years relates the recent enthusiasm for machine learning to developments in geoscience. I explore the shift of kriging towards a mainstream machine learning method and the historic application of neural networks in geoscience, following the general trend of machine learning enthusiasm through the decades. Furthermore, this chapter explores the shift from mathematical fundamentals and knowledge in software development towards skills in model validation, applied statistics, and integrated subject matter expertise. The review is interspersed with code examples to complement the theoretical foundations and illustrate model validation and machine learning explainability for science. The scope of this review includes various shallow machine learning methods, e.g. Decision Trees, Random Forests, Support-Vector Machines, and Gaussian Processes, as well as, deep neural networks, including feed-forward neural networks, convolutional neural networks, recurrent neural networks and generative adversarial networks. Regarding geoscience, the review has a bias towards geophysics but aims to strike a balance with geochemistry, geostatistics, and geology, however excludes remote sensing, as this would exceed the scope. In general, I aim to provide context for the recent enthusiasm surrounding deep learning with respect to research, hardware, and software developments that enable successful application of shallow and deep machine learning in all disciplines of Earth science.

An Experience Report on Machine Learning Reproducibility: Guidance for Practitioners and TensorFlow Model Garden Contributors

Machine learning techniques are becoming a fundamental tool for scientific and engineering progress. These techniques are applied in contexts as diverse as astronomy and spam filtering. However, correctly applying these techniques requires careful engineering. Much attention has been paid to the technical potential; relatively little attention has been paid to the software engineering process required to bring research-based machine learning techniques into practical utility. Technology companies have supported the engineering community through machine learning frameworks such as TensorFLow and PyTorch, but the details of how to engineer complex machine learning models in these frameworks have remained hidden. To promote best practices within the engineering community, academic institutions and Google have partnered to launch a Special Interest Group on Machine Learning Models (SIGMODELS) whose goal is to develop exemplary implementations of prominent machine learning models in community locations such as the TensorFlow Model Garden (TFMG). The purpose of this report is to define a process for reproducing a state-of-the-art machine learning model at a level of quality suitable for inclusion in the TFMG. We define the engineering process and elaborate on each step, from paper analysis to model release. We report on our experiences implementing the YOLO model family with a team of 26 student researchers, share the tools we developed, and describe the lessons we learned along the way.

Let's Make Block Coordinate Descent Converge Faster: Faster Greedy Rules, Message-Passing, Active-Set Complexity, and Superlinear Convergence

Block coordinate descent (BCD) methods are widely used for large-scale numerical optimization because of their cheap iteration costs, low memory requirements, amenability to parallelization, and ability to exploit problem structure. Three main algorithmic choices influence the performance of BCD methods: the block partitioning strategy, the block selection rule, and the block update rule. In this paper we explore all three of these building blocks and propose variations for each that can significantly improve the progress made by each BCD iteration. We (i) propose new greedy block-selection strategies that guarantee more progress per iteration than the Gauss-Southwell rule; (ii) explore practical issues like how to implement the new rules when using "variable" blocks; (iii) explore the use of message-passing to compute matrix or Newton updates efficiently on huge blocks for problems with sparse dependencies between variables; and (iv) consider optimal active manifold identification, which leads to bounds on the "active-set complexity" of BCD methods and leads to superlinear convergence for certain problems with sparse solutions (and in some cases finite termination at an optimal solution). We support all of our findings with numerical results for the classic machine learning problems of least squares, logistic regression, multi-class logistic regression, label propagation, and L1-regularization.

Model Breadcrumbs: Scaling Multi-Task Model Merging with Sparse Masks

The rapid development of AI systems has been greatly influenced by the emergence of foundation models. A common approach for targeted problems involves fine-tuning these pre-trained foundation models for specific target tasks, resulting in a rapid spread of models fine-tuned across a diverse array of tasks. This work focuses on the problem of merging multiple fine-tunings of the same foundation model derived from a spectrum of auxiliary tasks. We introduce a new simple method, Model Breadcrumbs, which consists of a sparsely defined set of weights that carve out a trajectory within the weight space of a pre-trained model, enhancing task performance when traversed. These breadcrumbs are constructed by subtracting the weights from a pre-trained model before and after fine-tuning, followed by a sparsification process that eliminates weight outliers and negligible perturbations. Our experiments demonstrate the effectiveness of Model Breadcrumbs to simultaneously improve performance across multiple tasks. This contribution aligns with the evolving paradigm of updatable machine learning, reminiscent of the collaborative principles underlying open-source software development, fostering a community-driven effort to reliably update machine learning models. Our method is shown to be more efficient and unlike previous proposals does not require hyperparameter tuning for each new task added. Through extensive experimentation involving various models, tasks, and modalities we establish that integrating Model Breadcrumbs offers a simple, efficient, and highly effective approach for constructing multi-task models and facilitating updates to foundation models.

TAME: Task Agnostic Continual Learning using Multiple Experts

The goal of lifelong learning is to continuously learn from non-stationary distributions, where the non-stationarity is typically imposed by a sequence of distinct tasks. Prior works have mostly considered idealistic settings, where the identity of tasks is known at least at training. In this paper we focus on a fundamentally harder, so-called task-agnostic setting where the task identities are not known and the learning machine needs to infer them from the observations. Our algorithm, which we call TAME (Task-Agnostic continual learning using Multiple Experts), automatically detects the shift in data distributions and switches between task expert networks in an online manner. At training, the strategy for switching between tasks hinges on an extremely simple observation that for each new coming task there occurs a statistically-significant deviation in the value of the loss function that marks the onset of this new task. At inference, the switching between experts is governed by the selector network that forwards the test sample to its relevant expert network. The selector network is trained on a small subset of data drawn uniformly at random. We control the growth of the task expert networks as well as selector network by employing online pruning. Our experimental results show the efficacy of our approach on benchmark continual learning data sets, outperforming the previous task-agnostic methods and even the techniques that admit task identities at both training and testing, while at the same time using a comparable model size.

In-BoXBART: Get Instructions into Biomedical Multi-Task Learning

Single-task models have proven pivotal in solving specific tasks; however, they have limitations in real-world applications where multi-tasking is necessary and domain shifts are exhibited. Recently, instructional prompts have shown significant improvement towards multi-task generalization; however, the effect of instructional prompts and Multi-Task Learning (MTL) has not been systematically studied in the biomedical domain. Motivated by this, this paper explores the impact of instructional prompts for biomedical MTL. We introduce the BoX, a collection of 32 instruction tasks for Biomedical NLP across (X) various categories. Using this meta-dataset, we propose a unified model termed In-BoXBART, that can jointly learn all tasks of the BoX without any task-specific modules. To the best of our knowledge, this is the first attempt to propose a unified model in the biomedical domain and use instructions to achieve generalization across several biomedical tasks. Experimental results indicate that the proposed model: 1) outperforms the single-task baseline by ~3% and multi-task (without instruction) baseline by ~18% on an average, and 2) shows ~23% improvement compared to the single-task baseline in few-shot learning (i.e., 32 instances per task) on an average. Our analysis indicates that there is significant room for improvement across tasks in the BoX, implying the scope for future research direction.

On the Provable Advantage of Unsupervised Pretraining

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

Verbalized Machine Learning: Revisiting Machine Learning with Language Models

Motivated by the large progress made by large language models (LLMs), we introduce the framework of verbalized machine learning (VML). In contrast to conventional machine learning models that are typically optimized over a continuous parameter space, VML constrains the parameter space to be human-interpretable natural language. Such a constraint leads to a new perspective of function approximation, where an LLM with a text prompt can be viewed as a function parameterized by the text prompt. Guided by this perspective, we revisit classical machine learning problems, such as regression and classification, and find that these problems can be solved by an LLM-parameterized learner and optimizer. The major advantages of VML include (1) easy encoding of inductive bias: prior knowledge about the problem and hypothesis class can be encoded in natural language and fed into the LLM-parameterized learner; (2) automatic model class selection: the optimizer can automatically select a concrete model class based on data and verbalized prior knowledge, and it can update the model class during training; and (3) interpretable learner updates: the LLM-parameterized optimizer can provide explanations for why each learner update is performed. We conduct several studies to empirically evaluate the effectiveness of VML, and hope that VML can serve as a stepping stone to stronger interpretability and trustworthiness in ML.

Unforgettable Generalization in Language Models

When language models (LMs) are trained to forget (or "unlearn'') a skill, how precisely does their behavior change? We study the behavior of transformer LMs in which tasks have been forgotten via fine-tuning on randomized labels. Such LMs learn to generate near-random predictions for individual examples in the "training'' set used for forgetting. Across tasks, however, LMs exhibit extreme variability in whether LM predictions change on examples outside the training set. In some tasks (like entailment classification), forgetting generalizes robustly, and causes models to produce uninformative predictions on new task instances; in other tasks (like physical commonsense reasoning and scientific question answering) forgetting affects only the training examples, and models continue to perform the "forgotten'' task accurately even for examples very similar to those that appeared in the training set. Dataset difficulty is not predictive of whether a behavior can be forgotten; instead, generalization in forgetting is (weakly) predicted by the confidence of LMs' initial task predictions and the variability of LM representations of training data, with low confidence and low variability both associated with greater generalization. Perhaps most surprisingly, random-label forgetting appears to be somewhat insensitive to the contents of the training set: for example, models trained on science questions with random labels continue to answer other science questions accurately, but begin to produce random labels on entailment classification tasks. Finally, we show that even generalizable forgetting is shallow: linear probes trained on LMs' representations can still perform tasks reliably after forgetting. Our results highlight the difficulty and unpredictability of performing targeted skill removal from models via fine-tuning.

Investigating the Impact of Model Complexity in Large Language Models

Large Language Models (LLMs) based on the pre-trained fine-tuning paradigm have become pivotal in solving natural language processing tasks, consistently achieving state-of-the-art performance. Nevertheless, the theoretical understanding of how model complexity influences fine-tuning performance remains challenging and has not been well explored yet. In this paper, we focus on autoregressive LLMs and propose to employ Hidden Markov Models (HMMs) to model them. Based on the HMM modeling, we investigate the relationship between model complexity and the generalization capability in downstream tasks. Specifically, we consider a popular tuning paradigm for downstream tasks, head tuning, where all pre-trained parameters are frozen and only individual heads are trained atop pre-trained LLMs. Our theoretical analysis reveals that the risk initially increases and then decreases with rising model complexity, showcasing a "double descent" phenomenon. In this case, the initial "descent" is degenerate, signifying that the "sweet spot" where bias and variance are balanced occurs when the model size is zero. Obtaining the presented in this study conclusion confronts several challenges, primarily revolving around effectively modeling autoregressive LLMs and downstream tasks, as well as conducting a comprehensive risk analysis for multivariate regression. Our research is substantiated by experiments conducted on data generated from HMMs, which provided empirical support and alignment with our theoretical insights.