Daily Papers

In the domain of data science, the predictive tasks of classification, regression, and imputation of missing values are commonly encountered challenges associated with tabular data. This research endeavors to apply Large Language Models (LLMs) towards addressing these predictive tasks. Despite their proficiency in comprehending natural language, LLMs fall short in dealing with structured tabular data. This limitation stems from their lacking exposure to the intricacies of tabular data during their foundational training. Our research aims to mitigate this gap by compiling a comprehensive corpus of tables annotated with instructions and executing large-scale training of Llama-2 on this enriched dataset. Furthermore, we investigate the practical application of applying the trained model to zero-shot prediction, few-shot prediction, and in-context learning scenarios. Through extensive experiments, our methodology has shown significant improvements over existing benchmarks. These advancements highlight the efficacy of tailoring LLM training to solve table-related problems in data science, thereby establishing a new benchmark in the utilization of LLMs for enhancing tabular intelligence.

The COVID-19 pandemic has posed a heavy burden to the healthcare system worldwide and caused huge social disruption and economic loss. Many deep learning models have been proposed to conduct clinical predictive tasks such as mortality prediction for COVID-19 patients in intensive care units using Electronic Health Record (EHR) data. Despite their initial success in certain clinical applications, there is currently a lack of benchmarking results to achieve a fair comparison so that we can select the optimal model for clinical use. Furthermore, there is a discrepancy between the formulation of traditional prediction tasks and real-world clinical practice in intensive care. To fill these gaps, we propose two clinical prediction tasks, Outcome-specific length-of-stay prediction and Early mortality prediction for COVID-19 patients in intensive care units. The two tasks are adapted from the naive length-of-stay and mortality prediction tasks to accommodate the clinical practice for COVID-19 patients. We propose fair, detailed, open-source data-preprocessing pipelines and evaluate 17 state-of-the-art predictive models on two tasks, including 5 machine learning models, 6 basic deep learning models and 6 deep learning predictive models specifically designed for EHR data. We provide benchmarking results using data from two real-world COVID-19 EHR datasets. One dataset is publicly available without needing any inquiry and another dataset can be accessed on request. We provide fair, reproducible benchmarking results for two tasks. We deploy all experiment results and models on an online platform. We also allow clinicians and researchers to upload their data to the platform and get quick prediction results using our trained models. We hope our efforts can further facilitate deep learning and machine learning research for COVID-19 predictive modeling.

Databases of electronic health records (EHRs) are increasingly used to inform clinical decisions. Machine learning methods can find patterns in EHRs that are predictive of future adverse outcomes. However, statistical models may be built upon patterns of health-seeking behavior that vary across patient subpopulations, leading to poor predictive performance when training on one patient population and predicting on another. This note proposes two tests to better measure and understand model generalization. We use these tests to compare models derived from two data sources: (i) historical medical records, and (ii) electrocardiogram (EKG) waveforms. In a predictive task, we show that EKG-based models can be more stable than EHR-based models across different patient populations.

Foundation Models (FMs) trained on Electronic Health Records (EHRs) have achieved state-of-the-art results on numerous clinical prediction tasks. However, most existing EHR FMs have context windows of <1k tokens. This prevents them from modeling full patient EHRs which can exceed 10k's of events. Recent advancements in subquadratic long-context architectures (e.g., Mamba) offer a promising solution. However, their application to EHR data has not been well-studied. We address this gap by presenting the first systematic evaluation of the effect of context length on modeling EHR data. We find that longer context models improve predictive performance -- our Mamba-based model surpasses the prior state-of-the-art on 9/14 tasks on the EHRSHOT prediction benchmark. For clinical applications, however, model performance alone is insufficient -- robustness to the unique properties of EHR is crucial. Thus, we also evaluate models across three previously underexplored properties of EHR data: (1) the prevalence of "copy-forwarded" diagnoses which creates artificial repetition of tokens within EHR sequences; (2) the irregular time intervals between EHR events which can lead to a wide range of timespans within a context window; and (3) the natural increase in disease complexity over time which makes later tokens in the EHR harder to predict than earlier ones. Stratifying our EHRSHOT results, we find that higher levels of each property correlate negatively with model performance, but that longer context models are more robust to more extreme levels of these properties. Our work highlights the potential for using long-context architectures to model EHR data, and offers a case study for identifying new challenges in modeling sequential data motivated by domains outside of natural language. We release our models and code at: https://github.com/som-shahlab/long_context_clues

We present RelBench, a public benchmark for solving predictive tasks over relational databases with graph neural networks. RelBench provides databases and tasks spanning diverse domains and scales, and is intended to be a foundational infrastructure for future research. We use RelBench to conduct the first comprehensive study of Relational Deep Learning (RDL) (Fey et al., 2024), which combines graph neural network predictive models with (deep) tabular models that extract initial entity-level representations from raw tables. End-to-end learned RDL models fully exploit the predictive signal encoded in primary-foreign key links, marking a significant shift away from the dominant paradigm of manual feature engineering combined with tabular models. To thoroughly evaluate RDL against this prior gold-standard, we conduct an in-depth user study where an experienced data scientist manually engineers features for each task. In this study, RDL learns better models whilst reducing human work needed by more than an order of magnitude. This demonstrates the power of deep learning for solving predictive tasks over relational databases, opening up many new research opportunities enabled by RelBench.

Large Language Models (LLMs) have demonstrated impressive quality when applied to predictive tasks such as relevance ranking and semantic search. However, deployment of such LLMs remains prohibitively expensive for industry applications with strict latency and throughput requirements. In this work, we present lessons and efficiency insights from developing a purely text-based decoder-only Small Language Model (SLM) for a semantic search application at LinkedIn. Particularly, we discuss model compression techniques such as pruning that allow us to reduce the model size by up to 40% while maintaining the accuracy. Additionally, we present context compression techniques that allow us to reduce the input context length by up to 10x with minimal loss of accuracy. Finally, we present practical lessons from optimizing the serving infrastructure for deploying such a system on GPUs at scale, serving millions of requests per second. Taken together, this allows us to increase our system's throughput by 10x in a real-world deployment, while meeting our quality bar.

Relational databases (RDBs) are composed of interconnected tables, where relationships between them are defined through foreign keys. Recent research on applying machine learning to RDBs has explored graph-based representations of RDBs, where rows of tables are modeled as nodes, and foreign key relationships are modeled as edges. RDB-to-graph modeling helps capture cross-table dependencies, ultimately leading to enhanced performance across diverse tasks. However, there are numerous ways to model RDBs as graphs, and performance varies significantly depending on the chosen graph model. In our analysis, applying a common heuristic rule for graph modeling leads to up to a 10% drop in performance compared to the best-performing graph model, which remains non-trivial to identify. To foster research on intelligent RDB-to-graph modeling, we introduce RDB2G-Bench, the first benchmark framework for evaluating such methods. We construct extensive datasets covering 5 real-world RDBs and 12 predictive tasks, resulting in around 50k graph-performance pairs for efficient and reproducible evaluations. Thanks to our precomputed datasets, we were able to benchmark 9 automatic RDB-to-graph modeling methods on the 12 tasks over 600x faster than on-the-fly evaluation, which requires repeated model training. Our analysis of the datasets and benchmark results reveals key structural patterns affecting graph model effectiveness, along with practical implications for effective graph modeling.

Electronic Health Records (EHR) are high-dimensional data with implicit connections among thousands of medical concepts. These connections, for instance, the co-occurrence of diseases and lab-disease correlations can be informative when only a subset of these variables is documented by the clinician. A feasible approach to improving the representation learning of EHR data is to associate relevant medical concepts and utilize these connections. Existing medical ontologies can be the reference for EHR structures, but they place numerous constraints on the data source. Recent progress on graph neural networks (GNN) enables end-to-end learning of topological structures for non-grid or non-sequential data. However, there are problems to be addressed on how to learn the medical graph adaptively and how to understand the effect of the medical graph on representation learning. In this paper, we propose a variationally regularized encoder-decoder graph network that achieves more robustness in graph structure learning by regularizing node representations. Our model outperforms the existing graph and non-graph based methods in various EHR predictive tasks based on both public data and real-world clinical data. Besides the improvements in empirical experiment performances, we provide an interpretation of the effect of variational regularization compared to standard graph neural network, using singular value analysis.

Materials characterization is fundamental to acquiring materials information, revealing the processing-microstructure-property relationships that guide material design and optimization. While multimodal large language models (MLLMs) have recently shown promise in generative and predictive tasks within materials science, their capacity to understand real-world characterization imaging data remains underexplored. To bridge this gap, we present MatCha, the first benchmark for materials characterization image understanding, comprising 1,500 questions that demand expert-level domain expertise. MatCha encompasses four key stages of materials research comprising 21 distinct tasks, each designed to reflect authentic challenges faced by materials scientists. Our evaluation of state-of-the-art MLLMs on MatCha reveals a significant performance gap compared to human experts. These models exhibit degradation when addressing questions requiring higher-level expertise and sophisticated visual perception. Simple few-shot and chain-of-thought prompting struggle to alleviate these limitations. These findings highlight that existing MLLMs still exhibit limited adaptability to real-world materials characterization scenarios. We hope MatCha will facilitate future research in areas such as new material discovery and autonomous scientific agents. MatCha is available at https://github.com/FreedomIntelligence/MatCha.

Machine learning models are often personalized with categorical attributes that are protected, sensitive, self-reported, or costly to acquire. In this work, we show models that are personalized with group attributes can reduce performance at a group level. We propose formal conditions to ensure the "fair use" of group attributes in prediction tasks by training one additional model -- i.e., collective preference guarantees to ensure that each group who provides personal data will receive a tailored gain in performance in return. We present sufficient conditions to ensure fair use in empirical risk minimization and characterize failure modes that lead to fair use violations due to standard practices in model development and deployment. We present a comprehensive empirical study of fair use in clinical prediction tasks. Our results demonstrate the prevalence of fair use violations in practice and illustrate simple interventions to mitigate their harm.

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.

Large Language Models (LLMs) have demonstrated remarkable capabilities across various applications, fundamentally reshaping the landscape of natural language processing (NLP) research. However, recent evaluation frameworks often rely on the output probabilities of LLMs for predictions, primarily due to computational constraints, diverging from real-world LLM usage scenarios. While widely employed, the efficacy of these probability-based evaluation strategies remains an open research question. This study aims to scrutinize the validity of such probability-based evaluation methods within the context of using LLMs for Multiple Choice Questions (MCQs), highlighting their inherent limitations. Our empirical investigation reveals that the prevalent probability-based evaluation method inadequately aligns with generation-based prediction. Furthermore, current evaluation frameworks typically assess LLMs through predictive tasks based on output probabilities rather than directly generating responses, owing to computational limitations. We illustrate that these probability-based approaches do not effectively correspond with generative predictions. The outcomes of our study can enhance the understanding of LLM evaluation methodologies and provide insights for future research in this domain.

This paper presents SimCLR: a simple framework for contrastive learning of visual representations. We simplify recently proposed contrastive self-supervised learning algorithms without requiring specialized architectures or a memory bank. In order to understand what enables the contrastive prediction tasks to learn useful representations, we systematically study the major components of our framework. We show that (1) composition of data augmentations plays a critical role in defining effective predictive tasks, (2) introducing a learnable nonlinear transformation between the representation and the contrastive loss substantially improves the quality of the learned representations, and (3) contrastive learning benefits from larger batch sizes and more training steps compared to supervised learning. By combining these findings, we are able to considerably outperform previous methods for self-supervised and semi-supervised learning on ImageNet. A linear classifier trained on self-supervised representations learned by SimCLR achieves 76.5% top-1 accuracy, which is a 7% relative improvement over previous state-of-the-art, matching the performance of a supervised ResNet-50. When fine-tuned on only 1% of the labels, we achieve 85.8% top-5 accuracy, outperforming AlexNet with 100X fewer labels.

Accurately predicting the future would be an important milestone in the capabilities of artificial intelligence. However, research on the ability of large language models to provide probabilistic predictions about future events remains nascent. To empirically test this ability, we enrolled OpenAI's state-of-the-art large language model, GPT-4, in a three-month forecasting tournament hosted on the Metaculus platform. The tournament, running from July to October 2023, attracted 843 participants and covered diverse topics including Big Tech, U.S. politics, viral outbreaks, and the Ukraine conflict. Focusing on binary forecasts, we show that GPT-4's probabilistic forecasts are significantly less accurate than the median human-crowd forecasts. We find that GPT-4's forecasts did not significantly differ from the no-information forecasting strategy of assigning a 50% probability to every question. We explore a potential explanation, that GPT-4 might be predisposed to predict probabilities close to the midpoint of the scale, but our data do not support this hypothesis. Overall, we find that GPT-4 significantly underperforms in real-world predictive tasks compared to median human-crowd forecasts. A potential explanation for this underperformance is that in real-world forecasting tournaments, the true answers are genuinely unknown at the time of prediction; unlike in other benchmark tasks like professional exams or time series forecasting, where strong performance may at least partly be due to the answers being memorized from the training data. This makes real-world forecasting tournaments an ideal environment for testing the generalized reasoning and prediction capabilities of artificial intelligence going forward.

Temporal Point Processes (TPP) are probabilistic generative frameworks. They model discrete event sequences localized in continuous time. Generally, real-life events reveal descriptive information, known as marks. Marked TPPs model time and marks of the event together for practical relevance. Conditioned on past events, marked TPPs aim to learn the joint distribution of the time and the mark of the next event. For simplicity, conditionally independent TPP models assume time and marks are independent given event history. They factorize the conditional joint distribution of time and mark into the product of individual conditional distributions. This structural limitation in the design of TPP models hurt the predictive performance on entangled time and mark interactions. In this work, we model the conditional inter-dependence of time and mark to overcome the limitations of conditionally independent models. We construct a multivariate TPP conditioning the time distribution on the current event mark in addition to past events. Besides the conventional intensity-based models for conditional joint distribution, we also draw on flexible intensity-free TPP models from the literature. The proposed TPP models outperform conditionally independent and dependent models in standard prediction tasks. Our experimentation on various datasets with multiple evaluation metrics highlights the merit of the proposed approach.

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates a multimodal approach to simultaneously model, understand, and generate both sequences and structures. However, existing methods typically use separate models for each modality, limiting their ability to capture the intricate relationships between sequence and structure. This results in suboptimal performance in tasks that requires joint understanding and generation of both modalities. In this paper, we introduce DPLM-2, a multimodal protein foundation model that extends discrete diffusion protein language model (DPLM) to accommodate both sequences and structures. To enable structural learning with the language model, 3D coordinates are converted to discrete tokens using a lookup-free quantization-based tokenizer. By training on both experimental and high-quality synthetic structures, DPLM-2 learns the joint distribution of sequence and structure, as well as their marginals and conditionals. We also implement an efficient warm-up strategy to exploit the connection between large-scale evolutionary data and structural inductive biases from pre-trained sequence-based protein language models. Empirical evaluation shows that DPLM-2 can simultaneously generate highly compatible amino acid sequences and their corresponding 3D structures eliminating the need for a two-stage generation approach. Moreover, DPLM-2 demonstrates competitive performance in various conditional generation tasks, including folding, inverse folding, and scaffolding with multimodal motif inputs, as well as providing structure-aware representations for predictive tasks.

Despite the rapid development of natural language processing (NLP) implementation in electronic medical records (EMRs), Chinese EMRs processing remains challenging due to the limited corpus and specific grammatical characteristics, especially for radiology reports. In this study, we designed an NLP pipeline for the direct extraction of clinically relevant features from Chinese radiology reports, which is the first key step in computer-aided radiologic diagnosis. The pipeline was comprised of named entity recognition, synonyms normalization, and relationship extraction to finally derive the radiological features composed of one or more terms. In named entity recognition, we incorporated lexicon into deep learning model bidirectional long short-term memory-conditional random field (BiLSTM-CRF), and the model finally achieved an F1 score of 93.00%. With the extracted radiological features, least absolute shrinkage and selection operator and machine learning methods (support vector machine, random forest, decision tree, and logistic regression) were used to build the classifiers for liver cancer prediction. For liver cancer diagnosis, random forest had the highest predictive performance in liver cancer diagnosis (F1 score 86.97%, precision 87.71%, and recall 86.25%). This work was a comprehensive NLP study focusing on Chinese radiology reports and the application of NLP in cancer risk prediction. The proposed NLP pipeline for the radiological feature extraction could be easily implemented in other kinds of Chinese clinical texts and other disease predictive tasks.

This paper introduces diffusion protein language model (DPLM), a versatile protein language model that demonstrates strong generative and predictive capabilities for protein sequences. We first pre-train scalable DPLMs from evolutionary-scale protein sequences within a generative self-supervised discrete diffusion probabilistic framework, which generalizes language modeling for proteins in a principled way. After pre-training, DPLM exhibits the ability to generate structurally plausible, novel, and diverse protein sequences for unconditional generation. We further demonstrate the proposed diffusion generative pre-training makes DPLM possess a better understanding of proteins, making it a superior representation learner, which can be fine-tuned for various predictive tasks, comparing favorably to ESM2 (Lin et al., 2022). Moreover, DPLM can be tailored for various needs, which showcases its prowess of conditional generation in several ways: (1) conditioning on partial peptide sequences, e.g., generating scaffolds for functional motifs with high success rate; (2) incorporating other modalities as conditioner, e.g., structure-conditioned generation for inverse folding; and (3) steering sequence generation towards desired properties, e.g., satisfying specified secondary structures, through a plug-and-play classifier guidance. Code is released at https://github.com/bytedance/dplm.

Geographic location is essential for modeling tasks in fields ranging from ecology to epidemiology to the Earth system sciences. However, extracting relevant and meaningful characteristics of a location can be challenging, often entailing expensive data fusion or data distillation from global imagery datasets. To address this challenge, we introduce Satellite Contrastive Location-Image Pretraining (SatCLIP), a global, general-purpose geographic location encoder that learns an implicit representation of locations from openly available satellite imagery. Trained location encoders provide vector embeddings summarizing the characteristics of any given location for convenient usage in diverse downstream tasks. We show that SatCLIP embeddings, pretrained on globally sampled multi-spectral Sentinel-2 satellite data, can be used in various predictive tasks that depend on location information but not necessarily satellite imagery, including temperature prediction, animal recognition in imagery, and population density estimation. Across tasks, SatCLIP embeddings consistently outperform embeddings from existing pretrained location encoders, ranging from models trained on natural images to models trained on semantic context. SatCLIP embeddings also help to improve geographic generalization. This demonstrates the potential of general-purpose location encoders and opens the door to learning meaningful representations of our planet from the vast, varied, and largely untapped modalities of geospatial data.

News article revision histories provide clues to narrative and factual evolution in news articles. To facilitate analysis of this evolution, we present the first publicly available dataset of news revision histories, NewsEdits. Our dataset is large-scale and multilingual; it contains 1.2 million articles with 4.6 million versions from over 22 English- and French-language newspaper sources based in three countries, spanning 15 years of coverage (2006-2021). We define article-level edit actions: Addition, Deletion, Edit and Refactor, and develop a high-accuracy extraction algorithm to identify these actions. To underscore the factual nature of many edit actions, we conduct analyses showing that added and deleted sentences are more likely to contain updating events, main content and quotes than unchanged sentences. Finally, to explore whether edit actions are predictable, we introduce three novel tasks aimed at predicting actions performed during version updates. We show that these tasks are possible for expert humans but are challenging for large NLP models. We hope this can spur research in narrative framing and help provide predictive tools for journalists chasing breaking news.

Missing values, irregularly collected samples, and multi-resolution signals commonly occur in multivariate time series data, making predictive tasks difficult. These challenges are especially prevalent in the healthcare domain, where patients' vital signs and electronic records are collected at different frequencies and have occasionally missing information due to the imperfections in equipment or patient circumstances. Researchers have handled each of these issues differently, often handling missing data through mean value imputation and then using sequence models over the multivariate signals while ignoring the different resolution of signals. We propose a unified model named Multi-resolution Flexible Irregular Time series Network (Multi-FIT). The building block for Multi-FIT is the FIT network. The FIT network creates an informative dense representation at each time step using signal information such as last observed value, time difference since the last observed time stamp and overall mean for the signal. Vertical FIT (FIT-V) is a variant of FIT which also models the relationship between different temporal signals while creating the informative dense representations for the signal. The multi-FIT model uses multiple FIT networks for sets of signals with different resolutions, further facilitating the construction of flexible representations. Our model has three main contributions: a.) it does not impute values but rather creates informative representations to provide flexibility to the model for creating task-specific representations b.) it models the relationship between different signals in the form of support signals c.) it models different resolutions in parallel before merging them for the final prediction task. The FIT, FIT-V and Multi-FIT networks improve upon the state-of-the-art models for three predictive tasks, including the forecasting of patient survival.

Predicting multiple real-world tasks in a single model often requires a particularly diverse feature space. Multimodal (MM) models aim to extract the synergistic predictive potential of multiple data types to create a shared feature space with aligned semantic meaning across inputs of drastically varying sizes (i.e. images, text, sound). Most current MM architectures fuse these representations in parallel, which not only limits their interpretability but also creates a dependency on modality availability. We present MultiModN, a multimodal, modular network that fuses latent representations in a sequence of any number, combination, or type of modality while providing granular real-time predictive feedback on any number or combination of predictive tasks. MultiModN's composable pipeline is interpretable-by-design, as well as innately multi-task and robust to the fundamental issue of biased missingness. We perform four experiments on several benchmark MM datasets across 10 real-world tasks (predicting medical diagnoses, academic performance, and weather), and show that MultiModN's sequential MM fusion does not compromise performance compared with a baseline of parallel fusion. By simulating the challenging bias of missing not-at-random (MNAR), this work shows that, contrary to MultiModN, parallel fusion baselines erroneously learn MNAR and suffer catastrophic failure when faced with different patterns of MNAR at inference. To the best of our knowledge, this is the first inherently MNAR-resistant approach to MM modeling. In conclusion, MultiModN provides granular insights, robustness, and flexibility without compromising performance.

The profusion of user generated content caused by the rise of social media platforms has enabled a surge in research relating to fields such as information retrieval, recommender systems, data mining and machine learning. However, the lack of comprehensive baseline data sets to allow a thorough evaluative comparison has become an important issue. In this paper we present a large data set of news items from well-known aggregators such as Google News and Yahoo! News, and their respective social feedback on multiple platforms: Facebook, Google+ and LinkedIn. The data collected relates to a period of 8 months, between November 2015 and July 2016, accounting for about 100,000 news items on four different topics: economy, microsoft, obama and palestine. This data set is tailored for evaluative comparisons in predictive analytics tasks, although allowing for tasks in other research areas such as topic detection and tracking, sentiment analysis in short text, first story detection or news recommendation.

Most conventional recommendation methods (e.g., matrix factorization) represent user profiles as high-dimensional vectors. Unfortunately, these vectors lack interpretability and steerability, and often perform poorly in cold-start settings. To address these shortcomings, we explore the use of user profiles that are represented as human-readable text. We propose the Language-based Factorization Model (LFM), which is essentially an encoder/decoder model where both the encoder and the decoder are large language models (LLMs). The encoder LLM generates a compact natural-language profile of the user's interests from the user's rating history. The decoder LLM uses this summary profile to complete predictive downstream tasks. We evaluate our LFM approach on the MovieLens dataset, comparing it against matrix factorization and an LLM model that directly predicts from the user's rating history. In cold-start settings, we find that our method can have higher accuracy than matrix factorization. Furthermore, we find that generating a compact and human-readable summary often performs comparably with or better than direct LLM prediction, while enjoying better interpretability and shorter model input length. Our results motivate a number of future research directions and potential improvements.

Multivariate time series data, collected across various fields such as manufacturing and wearable technology, exhibit states at multiple levels of granularity, from coarse-grained system behaviors to fine-grained, detailed events. Effectively segmenting and integrating states across these different granularities is crucial for tasks like predictive maintenance and performance optimization. However, existing time series segmentation methods face two key challenges: (1) the inability to handle multiple levels of granularity within a unified model, and (2) limited adaptability to new, evolving patterns in dynamic environments. To address these challenges, we propose PromptTSS, a novel framework for time series segmentation with multi-granularity states. PromptTSS uses a unified model with a prompting mechanism that leverages label and boundary information to guide segmentation, capturing both coarse- and fine-grained patterns while adapting dynamically to unseen patterns. Experiments show PromptTSS improves accuracy by 24.49% in multi-granularity segmentation, 17.88% in single-granularity segmentation, and up to 599.24% in transfer learning, demonstrating its adaptability to hierarchical states and evolving time series dynamics. Our code is available at https://github.com/blacksnail789521/PromptTSS.

Despite significant progress of generative models in the natural sciences, their controllability remains challenging. One fundamentally missing aspect of molecular or protein generative models is an inductive bias that can reflect continuous properties of interest. To that end, we propose the Regression Transformer (RT), a novel method that abstracts regression as a conditional sequence modeling problem. This introduces a new paradigm of multitask language models which seamlessly bridge sequence regression and conditional sequence generation. We thoroughly demonstrate that, despite using a nominal-scale training objective, the RT matches or surpasses the performance of conventional regression models in property prediction tasks of small molecules, proteins and chemical reactions. Critically, priming the same model with continuous properties yields a highly competitive conditional generative model that outperforms specialized approaches in a substructure-constrained, property-driven molecule generation benchmark. Our dichotomous approach is facilitated by a novel, alternating training scheme that enables the model to decorate seed sequences by desired properties, e.g., to optimize reaction yield. In sum, the RT is the first report of a multitask model that concurrently excels at predictive and generative tasks in biochemistry. This finds particular application in property-driven, local exploration of the chemical or protein space and could pave the road toward foundation models in material design. The code to reproduce all experiments of the paper is available at: https://github.com/IBM/regression-transformer

In the fields of computational mathematics and artificial intelligence, the need for precise data modeling is crucial, especially for predictive machine learning tasks. This paper explores further XNet, a novel algorithm that employs the complex-valued Cauchy integral formula, offering a superior network architecture that surpasses traditional Multi-Layer Perceptrons (MLPs) and Kolmogorov-Arnold Networks (KANs). XNet significant improves speed and accuracy across various tasks in both low and high-dimensional spaces, redefining the scope of data-driven model development and providing substantial improvements over established time series models like LSTMs.

Spectral analysis provides one of the most effective paradigms for information-preserving dimensionality reduction, as simple descriptions of naturally occurring signals are often obtained via few terms of periodic basis functions. In this work, we study deep neural networks designed to harness the structure in frequency domain for efficient learning of long-range correlations in space or time: frequency-domain models (FDMs). Existing FDMs are based on complex-valued transforms i.e. Fourier Transforms (FT), and layers that perform computation on the spectrum and input data separately. This design introduces considerable computational overhead: for each layer, a forward and inverse FT. Instead, this work introduces a blueprint for frequency domain learning through a single transform: transform once (T1). To enable efficient, direct learning in the frequency domain we derive a variance-preserving weight initialization scheme and investigate methods for frequency selection in reduced-order FDMs. Our results noticeably streamline the design process of FDMs, pruning redundant transforms, and leading to speedups of 3x to 10x that increase with data resolution and model size. We perform extensive experiments on learning the solution operator of spatio-temporal dynamics, including incompressible Navier-Stokes, turbulent flows around airfoils and high-resolution video of smoke. T1 models improve on the test performance of FDMs while requiring significantly less computation (5 hours instead of 32 for our large-scale experiment), with over 20% reduction in average predictive error across tasks.

This research investigates how Machine Learning (ML) algorithms can assist in workload allocation strategies by detecting tasks with node affinity operators (referred to as constraint operators), which constrain their execution to a limited number of nodes. Using real-world Google Cluster Data (GCD) workload traces and the AGOCS framework, the study extracts node attributes and task constraints, then analyses them to identify suitable node-task pairings. It focuses on tasks that can be executed on either a single node or fewer than a thousand out of 12.5k nodes in the analysed GCD cluster. Task constraint operators are compacted, pre-processed with one-hot encoding, and used as features in a training dataset. Various ML classifiers, including Artificial Neural Networks, K-Nearest Neighbours, Decision Trees, Naive Bayes, Ridge Regression, Adaptive Boosting, and Bagging, are fine-tuned and assessed for accuracy and F1-scores. The final ensemble voting classifier model achieved 98% accuracy and a 1.5-1.8% misclassification rate for tasks with a single suitable node.

Invariance-based and generative methods have shown a conspicuous performance for 3D self-supervised representation learning (SSRL). However, the former relies on hand-crafted data augmentations that introduce bias not universally applicable to all downstream tasks, and the latter indiscriminately reconstructs masked regions, resulting in irrelevant details being saved in the representation space. To solve the problem above, we introduce 3D-JEPA, a novel non-generative 3D SSRL framework. Specifically, we propose a multi-block sampling strategy that produces a sufficiently informative context block and several representative target blocks. We present the context-aware decoder to enhance the reconstruction of the target blocks. Concretely, the context information is fed to the decoder continuously, facilitating the encoder in learning semantic modeling rather than memorizing the context information related to target blocks. Overall, 3D-JEPA predicts the representation of target blocks from a context block using the encoder and context-aware decoder architecture. Various downstream tasks on different datasets demonstrate 3D-JEPA's effectiveness and efficiency, achieving higher accuracy with fewer pretraining epochs, e.g., 88.65% accuracy on PB_T50_RS with 150 pretraining epochs.

Predictive multiplicity refers to the phenomenon in which classification tasks may admit multiple competing models that achieve almost-equally-optimal performance, yet generate conflicting outputs for individual samples. This presents significant concerns, as it can potentially result in systemic exclusion, inexplicable discrimination, and unfairness in practical applications. Measuring and mitigating predictive multiplicity, however, is computationally challenging due to the need to explore all such almost-equally-optimal models, known as the Rashomon set, in potentially huge hypothesis spaces. To address this challenge, we propose a novel framework that utilizes dropout techniques for exploring models in the Rashomon set. We provide rigorous theoretical derivations to connect the dropout parameters to properties of the Rashomon set, and empirically evaluate our framework through extensive experimentation. Numerical results show that our technique consistently outperforms baselines in terms of the effectiveness of predictive multiplicity metric estimation, with runtime speedup up to 20times sim 5000times. With efficient Rashomon set exploration and metric estimation, mitigation of predictive multiplicity is then achieved through dropout ensemble and model selection.

Ensuring safety and meeting temporal specifications are critical challenges for long-term robotic tasks. Signal temporal logic (STL) has been widely used to systematically and rigorously specify these requirements. However, traditional methods of finding the control policy under those STL requirements are computationally complex and not scalable to high-dimensional or systems with complex nonlinear dynamics. Reinforcement learning (RL) methods can learn the policy to satisfy the STL specifications via hand-crafted or STL-inspired rewards, but might encounter unexpected behaviors due to ambiguity and sparsity in the reward. In this paper, we propose a method to directly learn a neural network controller to satisfy the requirements specified in STL. Our controller learns to roll out trajectories to maximize the STL robustness score in training. In testing, similar to Model Predictive Control (MPC), the learned controller predicts a trajectory within a planning horizon to ensure the satisfaction of the STL requirement in deployment. A backup policy is designed to ensure safety when our controller fails. Our approach can adapt to various initial conditions and environmental parameters. We conduct experiments on six tasks, where our method with the backup policy outperforms the classical methods (MPC, STL-solver), model-free and model-based RL methods in STL satisfaction rate, especially on tasks with complex STL specifications while being 10X-100X faster than the classical methods.

Machine learning models are often used to inform real world risk assessment tasks: predicting consumer default risk, predicting whether a person suffers from a serious illness, or predicting a person's risk to appear in court. Given multiple models that perform almost equally well for a prediction task, to what extent do predictions vary across these models? If predictions are relatively consistent for similar models, then the standard approach of choosing the model that optimizes a penalized loss suffices. But what if predictions vary significantly for similar models? In machine learning, this is referred to as predictive multiplicity i.e. the prevalence of conflicting predictions assigned by near-optimal competing models. In this paper, we present a framework for measuring predictive multiplicity in probabilistic classification (predicting the probability of a positive outcome). We introduce measures that capture the variation in risk estimates over the set of competing models, and develop optimization-based methods to compute these measures efficiently and reliably for convex empirical risk minimization problems. We demonstrate the incidence and prevalence of predictive multiplicity in real-world tasks. Further, we provide insight into how predictive multiplicity arises by analyzing the relationship between predictive multiplicity and data set characteristics (outliers, separability, and majority-minority structure). Our results emphasize the need to report predictive multiplicity more widely.

Image-based Joint-Embedding Predictive Architecture (I-JEPA) learns visual representations by predicting latent embeddings of masked regions from visible context. However, it treats all regions uniformly and independently, lacking an explicit notion of where or in what order predictions should be made. Inspired by human visual perception, which deploys attention selectively and sequentially from the most informative to secondary regions, we propose DSeq-JEPA, a Discriminative Sequential Joint-Embedding Predictive Architecture that bridges predictive and autoregressive self-supervised learning, integrating JEPA-style latent prediction with GPT-style sequential reasoning. Specifically, DSeq-JEPA (i) first identifies primary discriminative regions based on a transformer-derived saliency map, emphasizing the distribution of visual importance, and then (ii) predicts subsequent regions in this discriminative order, progressively forming a curriculum-like semantic progression from primary to secondary cues -- a form of GPT-style pre-training. Extensive experiments across diverse tasks, including image classification (ImageNet), fine-grained visual categorization (iNaturalist21, CUB-200-2011, Stanford-Cars), detection and segmentation (MS-COCO, ADE20K), and low-level reasoning tasks (Clevr/Count, Clevr/Dist), demonstrate that DSeq-JEPA consistently focuses on more discriminative and generalizable representations than I-JEPA variants. Project page: https://github.com/SkyShunsuke/DSeq-JEPA.

Open weight models, which are ubiquitous, rarely provide access to their training data or loss function. This makes modifying such models for tasks such as pruning or unlearning constrained by this unavailability an active area of research. Existing techniques typically require gradients or ground-truth labels, rendering them infeasible in settings with limited computational resources. In this work, we investigate the fundamental question of identifying components that are critical to the model's predictive performance, without access to either gradients or the loss function, and with only distributional access such as synthetic data. We theoretically demonstrate that the global reconstruction error is linearly bounded by local reconstruction errors for Lipschitz-continuous networks such as CNNs and well-trained Transformers (which, contrary to existing literature, we find exhibit Lipschitz continuity). This motivates using the locally reconstructive behavior of component subsets to quantify their global importance, via a metric that we term Subset Fidelity. In the uncorrelated features setting, selecting individual components via their Subset Fidelity scores is optimal, which we use to propose ModHiFi, an algorithm for model modification that requires no training data or loss function access. ModHiFi-P, for structured pruning, achieves an 11% speedup over the current state of the art on ImageNet models and competitive performance on language models. ModHiFi-U, for classwise unlearning, achieves complete unlearning on CIFAR-10 without fine-tuning and demonstrates competitive performance on Swin Transformers.

Self-supervised learning has become an incredibly successful method for feature learning, widely applied to many downstream tasks. It has proven especially effective for discriminative tasks, surpassing the trending generative models. However, generative models perform better in image generation and detail enhancement. Thus, it is natural for us to find a connection between SSL and generative models to further enhance the representation capacity of SSL. As generative models can create new samples by approximating the data distribution, such modeling should also lead to a semantic understanding of the raw visual data, which is necessary for recognition tasks. This enlightens us to combine the core principle of the diffusion model: diffusion noise, with SSL to learn a competitive recognition model. Specifically, diffusion noise can be viewed as a particular state of mask that reveals a close relationship between masked image modeling (MIM) and diffusion models. In this paper, we propose N-JEPA (Noise-based JEPA) to incorporate diffusion noise into MIM by the position embedding of masked tokens. The multi-level noise schedule is a series of feature augmentations to further enhance the robustness of our model. We perform a comprehensive study to confirm its effectiveness in the classification of downstream tasks. Codes will be released soon in public.

Learning an agent model that behaves like humans-capable of jointly perceiving the environment, predicting the future, and taking actions from a first-person perspective-is a fundamental challenge in computer vision. Existing methods typically train separate models for these abilities, which fail to capture their intrinsic relationships and prevent them from learning from each other. Inspired by how humans learn through the perception-action loop, we propose EgoAgent, a unified agent model that simultaneously learns to represent, predict, and act within a single transformer. EgoAgent explicitly models the causal and temporal dependencies among these abilities by formulating the task as an interleaved sequence of states and actions. It further introduces a joint embedding-action-prediction architecture with temporally asymmetric predictor and observer branches, enabling synergistic optimization across all three capabilities. Comprehensive evaluations of EgoAgent on representative tasks such as image classification, egocentric future state prediction, and 3D human motion prediction demonstrate the superiority of our method. The code and trained models will be publicly available at https://github.com/zju3dv/EgoAgent.

In high energy physics, self-supervised learning (SSL) methods have the potential to aid in the creation of machine learning models without the need for labeled datasets for a variety of tasks, including those related to jets -- narrow sprays of particles produced by quarks and gluons in high energy particle collisions. This study introduces an approach to learning jet representations without hand-crafted augmentations using a jet-based joint embedding predictive architecture (J-JEPA), which aims to predict various physical targets from an informative context. As our method does not require hand-crafted augmentation like other common SSL techniques, J-JEPA avoids introducing biases that could harm downstream tasks. Since different tasks generally require invariance under different augmentations, this training without hand-crafted augmentation enables versatile applications, offering a pathway toward a cross-task foundation model. We finetune the representations learned by J-JEPA for jet tagging and benchmark them against task-specific representations.

Predictive uncertainty estimation is essential for safe deployment of Deep Neural Networks in real-world autonomous systems. However, disentangling the different types and sources of uncertainty is non trivial for most datasets, especially since there is no ground truth for uncertainty. In addition, while adverse weather conditions of varying intensities can disrupt neural network predictions, they are usually under-represented in both training and test sets in public datasets.We attempt to mitigate these setbacks and introduce the MUAD dataset (Multiple Uncertainties for Autonomous Driving), consisting of 10,413 realistic synthetic images with diverse adverse weather conditions (night, fog, rain, snow), out-of-distribution objects, and annotations for semantic segmentation, depth estimation, object, and instance detection. MUAD allows to better assess the impact of different sources of uncertainty on model performance. We conduct a thorough experimental study of this impact on several baseline Deep Neural Networks across multiple tasks, and release our dataset to allow researchers to benchmark their algorithm methodically in adverse conditions. More visualizations and the download link for MUAD are available at https://muad-dataset.github.io/.

Despite improvements in performances on different natural language generation tasks, deep neural models are prone to hallucinating facts that are incorrect or nonexistent. Different hypotheses are proposed and examined separately for different tasks, but no systematic explanations are available across these tasks. In this study, we draw connections between hallucinations and predictive uncertainty in conditional language generation. We investigate their relationship in both image captioning and data-to-text generation and propose a simple extension to beam search to reduce hallucination. Our analysis shows that higher predictive uncertainty corresponds to a higher chance of hallucination. Epistemic uncertainty is more indicative of hallucination than aleatoric or total uncertainties. It helps to achieve better results of trading performance in standard metric for less hallucination with the proposed beam search variant.

As large language models (LLMs) grow in scale and specialization, routing--selecting the best model for a given input--has become essential for efficient and effective deployment. While recent methods rely on complex learned routing strategies, their dependence on disparate training data and evaluation setups makes comparison and generalization difficult. In this work, we revisit LLM routing through the lens of simplicity. We show that a well-tuned k-Nearest Neighbors (kNN) approach not only matches but often outperforms state-of-the-art learned routers across diverse tasks. To support systematic evaluation, we introduce a suite of standardized routing benchmarks spanning instruction-following, question-answering, and reasoning tasks, as well as the first multi-modal routing dataset involving visual inputs. Our findings reveal that the locality properties of model performance in embedding space enable simple non-parametric methods to achieve strong routing decisions with lower sample complexity than parametric approaches. This challenges the prevailing trend toward sophisticated architectures and highlights the importance of thoroughly evaluating simple baselines before investing in complex solutions. To support reproducibility and further exploration, we will release all benchmarks and code upon publication.

Current self-supervised algorithms commonly rely on transformations such as data augmentation and masking to learn visual representations. This is achieved by enforcing invariance or equivariance with respect to these transformations after encoding two views of an image. This dominant two-view paradigm often limits the flexibility of learned representations for downstream adaptation by creating performance trade-offs between high-level invariance-demanding tasks such as image classification and more fine-grained equivariance-related tasks. In this work, we proposes seq-JEPA, a world modeling framework that introduces architectural inductive biases into joint-embedding predictive architectures to resolve this trade-off. Without relying on dual equivariance predictors or loss terms, seq-JEPA simultaneously learns two architecturally segregated representations: one equivariant to specified transformations and another invariant to them. To do so, our model processes short sequences of different views (observations) of inputs. Each encoded view is concatenated with an embedding of the relative transformation (action) that produces the next observation in the sequence. These view-action pairs are passed through a transformer encoder that outputs an aggregate representation. A predictor head then conditions this aggregate representation on the upcoming action to predict the representation of the next observation. Empirically, seq-JEPA demonstrates strong performance on both equivariant and invariant benchmarks without sacrificing one for the other. Furthermore, it excels at tasks that inherently require aggregating a sequence of observations, such as path integration across actions and predictive learning across eye movements.

Predictive Coding (PC) is a theoretical framework in cognitive science suggesting that the human brain processes cognition through spatiotemporal prediction of the visual world. Existing studies have developed spatiotemporal prediction neural networks based on the PC theory, emulating its two core mechanisms: Correcting predictions from residuals and hierarchical learning. However, these models do not show the enhancement of prediction skills on real-world forecasting tasks and ignore the Precision Weighting mechanism of PC theory. The precision weighting mechanism posits that the brain allocates more attention to signals with lower precision, contributing to the cognitive ability of human brains. This work introduces the Cognitive Diffusion Probabilistic Models (CogDPM), which demonstrate the connection between diffusion probabilistic models and PC theory. CogDPM features a precision estimation method based on the hierarchical sampling capabilities of diffusion models and weight the guidance with precision weights estimated by the inherent property of diffusion models. We experimentally show that the precision weights effectively estimate the data predictability. We apply CogDPM to real-world prediction tasks using the United Kindom precipitation and ERA surface wind datasets. Our results demonstrate that CogDPM outperforms both existing domain-specific operational models and general deep prediction models by providing more proficient forecasting.

We present the COGnitive Neural GENerative system (CogNGen), a cognitive architecture that combines two neurobiologically-plausible, computational models: predictive processing and hyperdimensional/vector-symbolic models. We draw inspiration from architectures such as ACT-R and Spaun/Nengo. CogNGen is in broad agreement with these, providing a level of detail between ACT-R's high-level symbolic description of human cognition and Spaun's low-level neurobiological description, furthermore creating the groundwork for designing agents that learn continually from diverse tasks and model human performance at larger scales than what is possible with current systems. We test CogNGen on four maze-learning tasks, including those that test memory and planning, and find that CogNGen matches performance of deep reinforcement learning models and exceeds on a task designed to test memory.

While deep reinforcement learning excels at solving tasks where large amounts of data can be collected through virtually unlimited interaction with the environment, learning from limited interaction remains a key challenge. We posit that an agent can learn more efficiently if we augment reward maximization with self-supervised objectives based on structure in its visual input and sequential interaction with the environment. Our method, Self-Predictive Representations(SPR), trains an agent to predict its own latent state representations multiple steps into the future. We compute target representations for future states using an encoder which is an exponential moving average of the agent's parameters and we make predictions using a learned transition model. On its own, this future prediction objective outperforms prior methods for sample-efficient deep RL from pixels. We further improve performance by adding data augmentation to the future prediction loss, which forces the agent's representations to be consistent across multiple views of an observation. Our full self-supervised objective, which combines future prediction and data augmentation, achieves a median human-normalized score of 0.415 on Atari in a setting limited to 100k steps of environment interaction, which represents a 55% relative improvement over the previous state-of-the-art. Notably, even in this limited data regime, SPR exceeds expert human scores on 7 out of 26 games. The code associated with this work is available at https://github.com/mila-iqia/spr

Model Predictive Control (MPC) has been demonstrated to be effective in continuous control tasks. When a world model and a value function are available, planning a sequence of actions ahead of time leads to a better policy. Existing methods typically obtain the value function and the corresponding policy in a model-free manner. However, we find that such an approach struggles with complex tasks, resulting in poor policy learning and inaccurate value estimation. To address this problem, we leverage the strengths of MPC itself. In this work, we introduce Bootstrapped Model Predictive Control (BMPC), a novel algorithm that performs policy learning in a bootstrapped manner. BMPC learns a network policy by imitating an MPC expert, and in turn, uses this policy to guide the MPC process. Combined with model-based TD-learning, our policy learning yields better value estimation and further boosts the efficiency of MPC. We also introduce a lazy reanalyze mechanism, which enables computationally efficient imitation learning. Our method achieves superior performance over prior works on diverse continuous control tasks. In particular, on challenging high-dimensional locomotion tasks, BMPC significantly improves data efficiency while also enhancing asymptotic performance and training stability, with comparable training time and smaller network sizes. Code is available at https://github.com/wertyuilife2/bmpc.

Language models have achieved remarkable success in various natural language processing tasks. However, their application to time series data, a crucial component in many domains, remains limited. This paper proposes LiPCoT (Linear Predictive Coding based Tokenizer for time series), a novel tokenizer that encodes time series data into a sequence of tokens, enabling self-supervised learning of time series using existing Language model architectures such as BERT. Unlike traditional time series tokenizers that rely heavily on CNN encoder for time series feature generation, LiPCoT employs stochastic modeling through linear predictive coding to create a latent space for time series providing a compact yet rich representation of the inherent stochastic nature of the data. Furthermore, LiPCoT is computationally efficient and can effectively handle time series data with varying sampling rates and lengths, overcoming common limitations of existing time series tokenizers. In this proof-of-concept work, we present the effectiveness of LiPCoT in classifying Parkinson's disease (PD) using an EEG dataset from 46 participants. In particular, we utilize LiPCoT to encode EEG data into a small vocabulary of tokens and then use BERT for self-supervised learning and the downstream task of PD classification. We benchmark our approach against several state-of-the-art CNN-based deep learning architectures for PD detection. Our results reveal that BERT models utilizing self-supervised learning outperformed the best-performing existing method by 7.1% in precision, 2.3% in recall, 5.5% in accuracy, 4% in AUC, and 5% in F1-score highlighting the potential for self-supervised learning even on small datasets. Our work will inform future foundational models for time series, particularly for self-supervised learning.

Despite the outstanding performance of deep learning models in clinical prediction tasks, explainability remains a significant challenge. Inspired by transformer architectures, we introduce the Temporal-Feature Cross Attention Mechanism (TFCAM), a novel deep learning framework designed to capture dynamic interactions among clinical features across time, enhancing both predictive accuracy and interpretability. In an experiment with 1,422 patients with Chronic Kidney Disease, predicting progression to End-Stage Renal Disease, TFCAM outperformed LSTM and RETAIN baselines, achieving an AUROC of 0.95 and an F1-score of 0.69. Beyond performance gains, TFCAM provides multi-level explainability by identifying critical temporal periods, ranking feature importance, and quantifying how features influence each other across time before affecting predictions. Our approach addresses the "black box" limitations of deep learning in healthcare, offering clinicians transparent insights into disease progression mechanisms while maintaining state-of-the-art predictive performance.

Ensuring safe and effective use of AI requires understanding and anticipating its performance on novel tasks, from advanced scientific challenges to transformed workplace activities. So far, benchmarking has guided progress in AI, but it has offered limited explanatory and predictive power for general-purpose AI systems, given the low transferability across diverse tasks. In this paper, we introduce general scales for AI evaluation that can explain what common AI benchmarks really measure, extract ability profiles of AI systems, and predict their performance for new task instances, in- and out-of-distribution. Our fully-automated methodology builds on 18 newly-crafted rubrics that place instance demands on general scales that do not saturate. Illustrated for 15 large language models and 63 tasks, high explanatory power is unleashed from inspecting the demand and ability profiles, bringing insights on the sensitivity and specificity exhibited by different benchmarks, and how knowledge, metacognition and reasoning are affected by model size, chain-of-thought and distillation. Surprisingly, high predictive power at the instance level becomes possible using these demand levels, providing superior estimates over black-box baseline predictors based on embeddings or finetuning, especially in out-of-distribution settings (new tasks and new benchmarks). The scales, rubrics, battery, techniques and results presented here represent a major step for AI evaluation, underpinning the reliable deployment of AI in the years ahead. (Collaborative platform: https://kinds-of-intelligence-cfi.github.io/ADELE.)

Foundation models have revolutionized general-purpose problem-solving, offering rapid task adaptation through pretraining, meta-training, and finetuning. Recent crucial advances in these paradigms reveal the importance of challenging task prioritized sampling to enhance adaptation robustness under distribution shifts. However, ranking task difficulties over iteration as a preliminary step typically requires exhaustive task evaluation, which is practically unaffordable in computation and data-annotation. This study provides a novel perspective to illuminate the possibility of leveraging the dual importance of adaptation robustness and learning efficiency, particularly in scenarios where task evaluation is risky or costly, such as iterative agent-environment interactions for robotic policy evaluation or computationally intensive inference steps for finetuning foundation models. Firstly, we introduce Model Predictive Task Sampling (MPTS), a framework that bridges the task space and adaptation risk landscape, providing a theoretical foundation for robust active task sampling. MPTS employs a generative model to characterize the episodic optimization process and predicts task-specific adaptation risk via posterior inference. The resulting risk learner amortizes the costly evaluation of task adaptation performance and provably approximates task difficulty rankings. MPTS seamlessly integrates into zero-shot, few-shot, and supervised finetuning settings. Empirically, we conduct extensive experiments in pattern recognition using foundation models and sequential decision-making. Our results demonstrate that MPTS significantly enhances adaptation robustness for tail or out-of-distribution (OOD) tasks and improves learning efficiency compared to state-of-the-art (SOTA) methods. The code is available at the project site https://github.com/thu-rllab/MPTS.

Commercial LLM services often conceal internal reasoning traces while still charging users for every generated token, including those from hidden intermediate steps, raising concerns of token inflation and potential overbilling. This gap underscores the urgent need for reliable token auditing, yet achieving it is far from straightforward: cryptographic verification (e.g., hash-based signature) offers little assurance when providers control the entire execution pipeline, while user-side prediction struggles with the inherent variance of reasoning LLMs, where token usage fluctuates across domains and prompt styles. To bridge this gap, we present PALACE (Predictive Auditing of LLM APIs via Reasoning Token Count Estimation), a user-side framework that estimates hidden reasoning token counts from prompt-answer pairs without access to internal traces. PALACE introduces a GRPO-augmented adaptation module with a lightweight domain router, enabling dynamic calibration across diverse reasoning tasks and mitigating variance in token usage patterns. Experiments on math, coding, medical, and general reasoning benchmarks show that PALACE achieves low relative error and strong prediction accuracy, supporting both fine-grained cost auditing and inflation detection. Taken together, PALACE represents an important first step toward standardized predictive auditing, offering a practical path to greater transparency, accountability, and user trust.

We present a transformer architecture-based foundation model for tasks at high-energy particle colliders such as the Large Hadron Collider. We train the model to classify jets using a self-supervised strategy inspired by the Joint Embedding Predictive Architecture. We use the JetClass dataset containing 100M jets of various known particles to pre-train the model with a data-centric approach -- the model uses a fraction of the jet constituents as the context to predict the embeddings of the unseen target constituents. Our pre-trained model fares well with other datasets for standard classification benchmark tasks. We test our model on two additional downstream tasks: top tagging and differentiating light-quark jets from gluon jets. We also evaluate our model with task-specific metrics and baselines and compare it with state-of-the-art models in high-energy physics. Project site: https://hep-jepa.github.io/

Reliable estimation of predictive uncertainty is crucial for machine learning applications, particularly in high-stakes scenarios where hedging against risks is essential. Despite its significance, there is no universal agreement on how to best quantify predictive uncertainty. In this work, we revisit core concepts to propose a framework for information-theoretic measures of predictive uncertainty. Our proposed framework categorizes predictive uncertainty measures according to two factors: (I) The predicting model (II) The approximation of the true predictive distribution. Examining all possible combinations of these two factors, we derive a set of predictive uncertainty measures that includes both known and newly introduced ones. We extensively evaluate these measures across a broad set of tasks, identifying conditions under which certain measures excel. Our findings show the importance of aligning the choice of uncertainty measure with the predicting model on in-distribution (ID) data, the limitations of epistemic uncertainty measures for out-of-distribution (OOD) data, and that the disentanglement between measures varies substantially between ID and OOD data. Together, these insights provide a more comprehensive understanding of predictive uncertainty measures, revealing their implicit assumptions and relationships.

Geometric methods for solving open-world off-road navigation tasks, by learning occupancy and metric maps, provide good generalization but can be brittle in outdoor environments that violate their assumptions (e.g., tall grass). Learning-based methods can directly learn collision-free behavior from raw observations, but are difficult to integrate with standard geometry-based pipelines. This creates an unfortunate conflict -- either use learning and lose out on well-understood geometric navigational components, or do not use it, in favor of extensively hand-tuned geometry-based cost maps. In this work, we reject this dichotomy by designing the learning and non-learning-based components in a way such that they can be effectively combined in a self-supervised manner. Both components contribute to a planning criterion: the learned component contributes predicted traversability as rewards, while the geometric component contributes obstacle cost information. We instantiate and comparatively evaluate our system in both in-distribution and out-of-distribution environments, showing that this approach inherits complementary gains from the learned and geometric components and significantly outperforms either of them. Videos of our results are hosted at https://sites.google.com/view/hybrid-imitative-planning

Despite their renowned predictive power on i.i.d. data, convolutional neural networks are known to rely more on high-frequency patterns that humans deem superficial than on low-frequency patterns that agree better with intuitions about what constitutes category membership. This paper proposes a method for training robust convolutional networks by penalizing the predictive power of the local representations learned by earlier layers. Intuitively, our networks are forced to discard predictive signals such as color and texture that can be gleaned from local receptive fields and to rely instead on the global structures of the image. Across a battery of synthetic and benchmark domain adaptation tasks, our method confers improved generalization out of the domain. Also, to evaluate cross-domain transfer, we introduce ImageNet-Sketch, a new dataset consisting of sketch-like images, that matches the ImageNet classification validation set in categories and scale.

Learning efficient representations for decision-making policies is a challenge in imitation learning (IL). Current IL methods require expert demonstrations, which are expensive to collect. Consequently, they often have underdeveloped world models. Self-supervised learning (SSL) offers an alternative by allowing models to learn from diverse, unlabeled data, including failures. However, SSL methods often operate in raw input space, making them inefficient. In this work, we propose ACT-JEPA, a novel architecture that integrates IL and SSL to enhance policy representations. We train a policy to predict (1) action sequences and (2) abstract observation sequences. The first objective uses action chunking to improve action prediction and reduce compounding errors. The second objective extends this idea of chunking by predicting abstract observation sequences. We utilize Joint-Embedding Predictive Architecture to predict in abstract representation space, allowing the model to filter out irrelevant details, improve efficiency, and develop a robust world model. Our experiments show that ACT-JEPA improves the quality of representations by learning temporal environment dynamics. Additionally, the model's ability to predict abstract observation sequences results in representations that effectively generalize to action sequence prediction. ACT-JEPA performs on par with established baselines across a range of decision-making tasks.

Current efforts to learn scalable policies in robotic manipulation primarily fall into two categories: one focuses on "action," which involves behavior cloning from extensive collections of robotic data, while the other emphasizes "vision," enhancing model generalization by pre-training representations or generative models, also referred to as world models, using large-scale visual datasets. This paper presents an end-to-end paradigm that predicts actions using inverse dynamics models conditioned on the robot's forecasted visual states, named Predictive Inverse Dynamics Models (PIDM). By closing the loop between vision and action, the end-to-end PIDM can be a better scalable action learner. In practice, we use Transformers to process both visual states and actions, naming the model Seer. It is initially pre-trained on large-scale robotic datasets, such as DROID, and can be adapted to realworld scenarios with a little fine-tuning data. Thanks to large-scale, end-to-end training and the synergy between vision and action, Seer significantly outperforms previous methods across both simulation and real-world experiments. It achieves improvements of 13% on the LIBERO-LONG benchmark, 21% on CALVIN ABC-D, and 43% in real-world tasks. Notably, Seer sets a new state-of-the-art on CALVIN ABC-D benchmark, achieving an average length of 4.28, and exhibits superior generalization for novel objects, lighting conditions, and environments under high-intensity disturbances on real-world scenarios. Code and models are publicly available at https://github.com/OpenRobotLab/Seer/.

Applying a machine learning model for decision-making in the real world requires to distinguish what the model knows from what it does not. A critical factor in assessing the knowledge of a model is to quantify its predictive uncertainty. Predictive uncertainty is commonly measured by the entropy of the Bayesian model average (BMA) predictive distribution. Yet, the properness of this current measure of predictive uncertainty was recently questioned. We provide new insights regarding those limitations. Our analyses show that the current measure erroneously assumes that the BMA predictive distribution is equivalent to the predictive distribution of the true model that generated the dataset. Consequently, we introduce a theoretically grounded measure to overcome these limitations. We experimentally verify the benefits of our introduced measure of predictive uncertainty. We find that our introduced measure behaves more reasonably in controlled synthetic tasks. Moreover, our evaluations on ImageNet demonstrate that our introduced measure is advantageous in real-world applications utilizing predictive uncertainty.

This study investigates the use of Large Language Models (LLMs) for predicting human-perceived misery scores from natural language descriptions of real-world scenarios. The task is framed as a regression problem, where the model assigns a scalar value from 0 to 100 to each input statement. We evaluate multiple prompting strategies, including zero-shot, fixed-context few-shot, and retrieval-based prompting using BERT sentence embeddings. Few-shot approaches consistently outperform zero-shot baselines, underscoring the value of contextual examples in affective prediction. To move beyond static evaluation, we introduce the "Misery Game Show", a novel gamified framework inspired by a television format. It tests LLMs through structured rounds involving ordinal comparison, binary classification, scalar estimation, and feedback-driven reasoning. This setup enables us to assess not only predictive accuracy but also the model's ability to adapt based on corrective feedback. The gamified evaluation highlights the broader potential of LLMs in dynamic emotional reasoning tasks beyond standard regression. Code and data link: https://github.com/abhi1nandy2/Misery_Data_Exps_GitHub

This study examines the integration of Contrastive Predictive Coding (CPC) with Spiking Neural Networks (SNN). While CPC learns the predictive structure of data to generate meaningful representations, SNN mimics the computational processes of biological neural systems over time. In this study, the goal is to develop a predictive coding model with greater biological plausibility by processing inputs and outputs in a spike-based system. The proposed model was tested on the MNIST dataset and achieved a high classification rate in distinguishing positive sequential samples from non-sequential negative samples. The study demonstrates that CPC can be effectively combined with SNN, showing that an SNN trained for classification tasks can also function as an encoding mechanism. Project codes and detailed results can be accessed on our GitHub page: https://github.com/vnd-ogrenme/ongorusel-kodlama/tree/main/CPC_SNN

In egocentric scenarios, anticipating both the next action and its visual outcome is essential for understanding human-object interactions and for enabling robotic planning. However, existing paradigms fall short of jointly modeling these aspects. Vision-Language-Action (VLA) models focus on action prediction but lack explicit modeling of how actions influence the visual scene, while video prediction models generate future frames without conditioning on specific actions, often resulting in implausible or contextually inconsistent outcomes. To bridge this gap, we propose a unified two-stage predictive framework that jointly models action and visual future in egocentric scenarios, conditioned on hand trajectories. In the first stage, we perform consecutive state modeling to process heterogeneous inputs (visual observations, language, and action history) and explicitly predict future hand trajectories. In the second stage, we introduce causal cross-attention to fuse multi-modal cues, leveraging inferred action signals to guide an image-based Latent Diffusion Model (LDM) for frame-by-frame future video generation. Our approach is the first unified model designed to handle both egocentric human activity understanding and robotic manipulation tasks, providing explicit predictions of both upcoming actions and their visual consequences. Extensive experiments on Ego4D, BridgeData, and RLBench demonstrate that our method outperforms state-of-the-art baselines in both action prediction and future video synthesis.

Liquid electrolytes are critical components of next-generation energy storage systems, enabling fast ion transport, minimizing interfacial resistance, and ensuring electrochemical stability for long-term battery performance. However, measuring electrolyte properties and designing formulations remain experimentally and computationally expensive. In this work, we present a unified framework for designing liquid electrolyte formulation, integrating a forward predictive model with an inverse generative approach. Leveraging both computational and experimental data collected from literature and extensive molecular simulations, we train a predictive model capable of accurately estimating electrolyte properties from ionic conductivity to solvation structure. Our physics-informed architecture preserves permutation invariance and incorporates empirical dependencies on temperature and salt concentration, making it broadly applicable to property prediction tasks across molecular mixtures. Furthermore, we introduce -- to the best of our knowledge -- the first generative machine learning framework for molecular mixture design, demonstrated on electrolyte systems. This framework supports multi-condition-constrained generation, addressing the inherently multi-objective nature of materials design. As a proof of concept, we experimentally identified three liquid electrolytes with both high ionic conductivity and anion-concentrated solvation structure. This unified framework advances data-driven electrolyte design and can be readily extended to other complex chemical systems beyond electrolytes.

Missing instances in time series data impose a significant challenge to deep learning models, particularly in regression tasks. In the Earth Observation field, satellite failure or cloud occlusion frequently results in missing time-steps, introducing uncertainties in the predicted output and causing a decline in predictive performance. While many studies address missing time-steps through data augmentation to improve model robustness, the uncertainty arising at the input level is commonly overlooked. To address this gap, we introduce Monte Carlo Temporal Dropout (MC-TD), a method that explicitly accounts for input-level uncertainty by randomly dropping time-steps during inference using a predefined dropout ratio, thereby simulating the effect of missing data. To bypass the need for costly searches for the optimal dropout ratio, we extend this approach with Monte Carlo Concrete Temporal Dropout (MC-ConcTD), a method that learns the optimal dropout distribution directly. Both MC-TD and MC-ConcTD are applied during inference, leveraging Monte Carlo sampling for uncertainty quantification. Experiments on three EO time-series datasets demonstrate that MC-ConcTD improves predictive performance and uncertainty calibration compared to existing approaches. Additionally, we highlight the advantages of adaptive dropout tuning over manual selection, making uncertainty quantification more robust and accessible for EO applications.

Autoregressive Predictive Coding (APC), as a self-supervised objective, has enjoyed success in learning representations from large amounts of unlabeled data, and the learned representations are rich for many downstream tasks. However, the connection between low self-supervised loss and strong performance in downstream tasks remains unclear. In this work, we propose Vector-Quantized Autoregressive Predictive Coding (VQ-APC), a novel model that produces quantized representations, allowing us to explicitly control the amount of information encoded in the representations. By studying a sequence of increasingly limited models, we reveal the constituents of the learned representations. In particular, we confirm the presence of information with probing tasks, while showing the absence of information with mutual information, uncovering the model's preference in preserving speech information as its capacity becomes constrained. We find that there exists a point where phonetic and speaker information are amplified to maximize a self-supervised objective. As a byproduct, the learned codes for a particular model capacity correspond well to English phones.

Effectively utilizing multi-sensory data is important for robots to generalize across diverse tasks. However, the heterogeneous nature of these modalities makes fusion challenging. Existing methods propose strategies to obtain comprehensively fused features but often ignore the fact that each modality requires different levels of attention at different manipulation stages. To address this, we propose a force-guided attention fusion module that adaptively adjusts the weights of visual and tactile features without human labeling. We also introduce a self-supervised future force prediction auxiliary task to reinforce the tactile modality, improve data imbalance, and encourage proper adjustment. Our method achieves an average success rate of 93% across three fine-grained, contactrich tasks in real-world experiments. Further analysis shows that our policy appropriately adjusts attention to each modality at different manipulation stages. The videos can be viewed at https://adaptac-dex.github.io/.

Automatic detection of phoneme or word-like units is one of the core objectives in zero-resource speech processing. Recent attempts employ self-supervised training methods, such as contrastive predictive coding (CPC), where the next frame is predicted given past context. However, CPC only looks at the audio signal's frame-level structure. We overcome this limitation with a segmental contrastive predictive coding (SCPC) framework that can model the signal structure at a higher level e.g. at the phoneme level. In this framework, a convolutional neural network learns frame-level representation from the raw waveform via noise-contrastive estimation (NCE). A differentiable boundary detector finds variable-length segments, which are then used to optimize a segment encoder via NCE to learn segment representations. The differentiable boundary detector allows us to train frame-level and segment-level encoders jointly. Typically, phoneme and word segmentation are treated as separate tasks. We unify them and experimentally show that our single model outperforms existing phoneme and word segmentation methods on TIMIT and Buckeye datasets. We analyze the impact of boundary threshold and when is the right time to include the segmental loss in the learning process.

Data-driven model predictive control has two key advantages over model-free methods: a potential for improved sample efficiency through model learning, and better performance as computational budget for planning increases. However, it is both costly to plan over long horizons and challenging to obtain an accurate model of the environment. In this work, we combine the strengths of model-free and model-based methods. We use a learned task-oriented latent dynamics model for local trajectory optimization over a short horizon, and use a learned terminal value function to estimate long-term return, both of which are learned jointly by temporal difference learning. Our method, TD-MPC, achieves superior sample efficiency and asymptotic performance over prior work on both state and image-based continuous control tasks from DMControl and Meta-World. Code and video results are available at https://nicklashansen.github.io/td-mpc.

PAQ8 is an open source lossless data compression algorithm that currently achieves the best compression rates on many benchmarks. This report presents a detailed description of PAQ8 from a statistical machine learning perspective. It shows that it is possible to understand some of the modules of PAQ8 and use this understanding to improve the method. However, intuitive statistical explanations of the behavior of other modules remain elusive. We hope the description in this report will be a starting point for discussions that will increase our understanding, lead to improvements to PAQ8, and facilitate a transfer of knowledge from PAQ8 to other machine learning methods, such a recurrent neural networks and stochastic memoizers. Finally, the report presents a broad range of new applications of PAQ to machine learning tasks including language modeling and adaptive text prediction, adaptive game playing, classification, and compression using features from the field of deep learning.

Recent work has demonstrated the effectiveness of formulating decision making as a supervised learning problem on offline-collected trajectories. However, the benefits of performing sequence modeling on trajectory data is not yet clear. In this work we investigate if sequence modeling has the capability to condense trajectories into useful representations that can contribute to policy learning. To achieve this, we adopt a two-stage framework that first summarizes trajectories with sequence modeling techniques, and then employs these representations to learn a policy along with a desired goal. This design allows many existing supervised offline RL methods to be considered as specific instances of our framework. Within this framework, we introduce Goal-Conditioned Predicitve Coding (GCPC), an approach that brings powerful trajectory representations and leads to performant policies. We conduct extensive empirical evaluations on AntMaze, FrankaKitchen and Locomotion environments, and observe that sequence modeling has a significant impact on some decision making tasks. In addition, we demonstrate that GCPC learns a goal-conditioned latent representation about the future, which serves as an "implicit planner", and enables competitive performance on all three benchmarks.

Access to external knowledge is essential for many natural language processing tasks, such as question answering and dialogue. Existing methods often rely on a parametric model that stores knowledge in its parameters, or use a retrieval-augmented model that has access to an external knowledge source. Parametric and retrieval-augmented models have complementary strengths in terms of computational efficiency and predictive accuracy. To combine the strength of both approaches, we propose the Efficient Memory-Augmented Transformer (EMAT) -- it encodes external knowledge into a key-value memory and exploits the fast maximum inner product search for memory querying. We also introduce pre-training tasks that allow EMAT to encode informative key-value representations, and to learn an implicit strategy to integrate multiple memory slots into the transformer. Experiments on various knowledge-intensive tasks such as question answering and dialogue datasets show that, simply augmenting parametric models (T5-base) using our method produces more accurate results (e.g., 25.8 -> 44.3 EM on NQ) while retaining a high throughput (e.g., 1000 queries/s on NQ). Compared to retrieval-augmented models, EMAT runs substantially faster across the board and produces more accurate results on WoW and ELI5. Our code and datasets are available at https://github. com/uclnlp/EMAT.

There is a strong link between the general concept of intelligence and the ability to collect and use information. The theory of Bayes-adaptive exploration offers an attractive optimality framework for training machines to perform complex information gathering tasks. However, the computational complexity of the resulting optimal control problem has limited the diffusion of the theory to mainstream deep AI research. In this paper we exploit the inherent mathematical structure of Bayes-adaptive problems in order to dramatically simplify the problem by making the reward structure denser while simultaneously decoupling the learning of exploitation and exploration policies. The key to this simplification comes from the novel concept of cross-value (i.e. the value of being in an environment while acting optimally according to another), which we use to quantify the value of currently available information. This results in a new denser reward structure that "cashes in" all future rewards that can be predicted from the current information state. In a set of experiments we show that the approach makes it possible to learn challenging information gathering tasks without the use of shaping and heuristic bonuses in situations where the standard RL algorithms fail.

We provide an algorithm for adaptive legged locomotion via online learning and model predictive control. The algorithm is composed of two interacting modules: model predictive control (MPC) and online learning of residual dynamics. The residual dynamics can represent modeling errors and external disturbances. We are motivated by the future of autonomy where quadrupeds will autonomously perform complex tasks despite real-world unknown uncertainty, such as unknown payload and uneven terrains. The algorithm uses random Fourier features to approximate the residual dynamics in reproducing kernel Hilbert spaces. Then, it employs MPC based on the current learned model of the residual dynamics. The model is updated online in a self-supervised manner using least squares based on the data collected while controlling the quadruped. The algorithm enjoys sublinear dynamic regret, defined as the suboptimality against an optimal clairvoyant controller that knows how the residual dynamics. We validate our algorithm in Gazebo and MuJoCo simulations, where the quadruped aims to track reference trajectories. The Gazebo simulations include constant unknown external forces up to 12g, where g is the gravity vector, in flat terrain, slope terrain with 20degree inclination, and rough terrain with 0.25m height variation. The MuJoCo simulations include time-varying unknown disturbances with payload up to 8~kg and time-varying ground friction coefficients in flat terrain.

User event modeling plays a central role in many machine learning applications, with use cases spanning e-commerce, social media, finance, cybersecurity, and other domains. User events can be broadly categorized into personal events, which involve individual actions, and relational events, which involve interactions between two users. These two types of events are typically modeled separately, using sequence-based methods for personal events and graph-based methods for relational events. Despite the need to capture both event types in real-world systems, prior work has rarely considered them together. This is often due to the convenient simplification that user behavior can be adequately represented by a single formalization, either as a sequence or a graph. To address this gap, there is a need for public datasets and prediction tasks that explicitly incorporate both personal and relational events. In this work, we introduce a collection of such datasets, propose a unified formalization, and empirically show that models benefit from incorporating both event types. Our results also indicate that current methods leave a notable room for improvements. We release these resources to support further research in unified user event modeling and encourage progress in this direction.

Latent prediction--where agents learn by predicting their own latents--has emerged as a powerful paradigm for training general representations in machine learning. In reinforcement learning (RL), this approach has been explored to define auxiliary losses for a variety of settings, including reward-based and unsupervised RL, behavior cloning, and world modeling. While existing methods are typically limited to single-task learning, one-step prediction, or on-policy trajectory data, we show that temporal difference (TD) learning enables learning representations predictive of long-term latent dynamics across multiple policies from offline, reward-free transitions. Building on this, we introduce TD-JEPA, which leverages TD-based latent-predictive representations into unsupervised RL. TD-JEPA trains explicit state and task encoders, a policy-conditioned multi-step predictor, and a set of parameterized policies directly in latent space. This enables zero-shot optimization of any reward function at test time. Theoretically, we show that an idealized variant of TD-JEPA avoids collapse with proper initialization, and learns encoders that capture a low-rank factorization of long-term policy dynamics, while the predictor recovers their successor features in latent space. Empirically, TD-JEPA matches or outperforms state-of-the-art baselines on locomotion, navigation, and manipulation tasks across 13 datasets in ExoRL and OGBench, especially in the challenging setting of zero-shot RL from pixels.

Joint Embedding Predictive Architectures (JEPA) have emerged as a powerful framework for learning general-purpose representations. However, these models often lack interpretability and suffer from inefficiencies due to dense embedding representations. We propose SparseJEPA, an extension that integrates sparse representation learning into the JEPA framework to enhance the quality of learned representations. SparseJEPA employs a penalty method that encourages latent space variables to be shared among data features with strong semantic relationships, while maintaining predictive performance. We demonstrate the effectiveness of SparseJEPA by training on the CIFAR-100 dataset and pre-training a lightweight Vision Transformer. The improved embeddings are utilized in linear-probe transfer learning for both image classification and low-level tasks, showcasing the architecture's versatility across different transfer tasks. Furthermore, we provide a theoretical proof that demonstrates that the grouping mechanism enhances representation quality. This was done by displaying that grouping reduces Multiinformation among latent-variables, including proofing the Data Processing Inequality for Multiinformation. Our results indicate that incorporating sparsity not only refines the latent space but also facilitates the learning of more meaningful and interpretable representations. In further work, hope to further extend this method by finding new ways to leverage the grouping mechanism through object-centric representation learning.

As opposed to human drivers, current autonomous driving systems still require vast amounts of labeled data to train. Recently, world models have been proposed to simultaneously enhance autonomous driving capabilities by improving the way these systems understand complex real-world environments and reduce their data demands via self-supervised pre-training. In this paper, we present AD-L-JEPA (aka Autonomous Driving with LiDAR data via a Joint Embedding Predictive Architecture), a novel self-supervised pre-training framework for autonomous driving with LiDAR data that, as opposed to existing methods, is neither generative nor contrastive. Our method learns spatial world models with a joint embedding predictive architecture. Instead of explicitly generating masked unknown regions, our self-supervised world models predict Bird's Eye View (BEV) embeddings to represent the diverse nature of autonomous driving scenes. Our approach furthermore eliminates the need to manually create positive and negative pairs, as is the case in contrastive learning. AD-L-JEPA leads to simpler implementation and enhanced learned representations. We qualitatively and quantitatively demonstrate high-quality of embeddings learned with AD-L-JEPA. We furthermore evaluate the accuracy and label efficiency of AD-L-JEPA on popular downstream tasks such as LiDAR 3D object detection and associated transfer learning. Our experimental evaluation demonstrates that AD-L-JEPA is a plausible approach for self-supervised pre-training in autonomous driving applications and is the best available approach outperforming SOTA, including most recently proposed Occupancy-MAE [1] and ALSO [2]. The source code of AD-L-JEPA is available at https://github.com/HaoranZhuExplorer/AD-L-JEPA-Release.

Video representation learning is an increasingly important topic in machine learning research. We present Video JEPA with Variance-Covariance Regularization (VJ-VCR): a joint-embedding predictive architecture for self-supervised video representation learning that employs variance and covariance regularization to avoid representation collapse. We show that hidden representations from our VJ-VCR contain abstract, high-level information about the input data. Specifically, they outperform representations obtained from a generative baseline on downstream tasks that require understanding of the underlying dynamics of moving objects in the videos. Additionally, we explore different ways to incorporate latent variables into the VJ-VCR framework that capture information about uncertainty in the future in non-deterministic settings.

This paper presents that the masked-modeling principle driving the success of large foundational vision models can be effectively applied to audio by making predictions in a latent space. We introduce Audio-based Joint-Embedding Predictive Architecture (A-JEPA), a simple extension method for self-supervised learning from the audio spectrum. Following the design of I-JEPA, our A-JEPA encodes visible audio spectrogram patches with a curriculum masking strategy via context encoder, and predicts the representations of regions sampled at well-designed locations. The target representations of those regions are extracted by the exponential moving average of context encoder, i.e., target encoder, on the whole spectrogram. We find it beneficial to transfer random block masking into time-frequency aware masking in a curriculum manner, considering the complexity of highly correlated in local time and frequency in audio spectrograms. To enhance contextual semantic understanding and robustness, we fine-tune the encoder with a regularized masking on target datasets, instead of input dropping or zero. Empirically, when built with Vision Transformers structure, we find A-JEPA to be highly scalable and sets new state-of-the-art performance on multiple audio and speech classification tasks, outperforming other recent models that use externally supervised pre-training.

Recent years have witnessed remarkable advances in spatiotemporal predictive learning, with methods incorporating auxiliary inputs, complex neural architectures, and sophisticated training strategies. While SimVP has introduced a simpler, CNN-based baseline for this task, it still relies on heavy Unet-like architectures for spatial and temporal modeling, which still suffers from high complexity and computational overhead. In this paper, we propose SimVPv2, a streamlined model that eliminates the need for Unet architectures and demonstrates that plain stacks of convolutional layers, enhanced with an efficient Gated Spatiotemporal Attention mechanism, can deliver state-of-the-art performance. SimVPv2 not only simplifies the model architecture but also improves both performance and computational efficiency. On the standard Moving MNIST benchmark, SimVPv2 achieves superior performance compared to SimVP, with fewer FLOPs, about half the training time, and 60% faster inference efficiency. Extensive experiments across eight diverse datasets, including real-world tasks such as traffic forecasting and climate prediction, further demonstrate that SimVPv2 offers a powerful yet straightforward solution, achieving robust generalization across various spatiotemporal learning scenarios. We believe the proposed SimVPv2 can serve as a solid baseline to benefit the spatiotemporal predictive learning community.

Despite the remarkable progress in the development of predictive models for healthcare, applying these algorithms on a large scale has been challenging. Algorithms trained on a particular task, based on specific data formats available in a set of medical records, tend to not generalize well to other tasks or databases in which the data fields may differ. To address this challenge, we propose General Healthcare Predictive Framework (GenHPF), which is applicable to any EHR with minimal preprocessing for multiple prediction tasks. GenHPF resolves heterogeneity in medical codes and schemas by converting EHRs into a hierarchical textual representation while incorporating as many features as possible. To evaluate the efficacy of GenHPF, we conduct multi-task learning experiments with single-source and multi-source settings, on three publicly available EHR datasets with different schemas for 12 clinically meaningful prediction tasks. Our framework significantly outperforms baseline models that utilize domain knowledge in multi-source learning, improving average AUROC by 1.2%P in pooled learning and 2.6%P in transfer learning while also showing comparable results when trained on a single EHR dataset. Furthermore, we demonstrate that self-supervised pretraining using multi-source datasets is effective when combined with GenHPF, resulting in a 0.6%P AUROC improvement compared to models without pretraining. By eliminating the need for preprocessing and feature engineering, we believe that this work offers a solid framework for multi-task and multi-source learning that can be leveraged to speed up the scaling and usage of predictive algorithms in healthcare.

In this paper, a safe and learning-based control framework for model predictive control (MPC) is proposed to optimize nonlinear systems with a non-differentiable objective function under uncertain environmental disturbances. The control framework integrates a learning-based MPC with an auxiliary controller in a way of minimal intervention. The learning-based MPC augments the prior nominal model with incremental Gaussian Processes to learn the uncertain disturbances. The cross-entropy method (CEM) is utilized as the sampling-based optimizer for the MPC with a non-differentiable objective function. A minimal intervention controller is devised with a control Lyapunov function and a control barrier function to guide the sampling process and endow the system with high probabilistic safety. The proposed algorithm shows a safe and adaptive control performance on a simulated quadrotor in the tasks of trajectory tracking and obstacle avoidance under uncertain wind disturbances.

Learning meaningful and general representations from unannotated speech that are applicable to a wide range of tasks remains challenging. In this paper we propose to use autoregressive predictive coding (APC), a recently proposed self-supervised objective, as a generative pre-training approach for learning meaningful, non-specific, and transferable speech representations. We pre-train APC on large-scale unlabeled data and conduct transfer learning experiments on three speech applications that require different information about speech characteristics to perform well: speech recognition, speech translation, and speaker identification. Extensive experiments show that APC not only outperforms surface features (e.g., log Mel spectrograms) and other popular representation learning methods on all three tasks, but is also effective at reducing downstream labeled data size and model parameters. We also investigate the use of Transformers for modeling APC and find it superior to RNNs.

Self-supervised speech representations have been shown to be effective in a variety of speech applications. However, existing representation learning methods generally rely on the autoregressive model and/or observed global dependencies while generating the representation. In this work, we propose Non-Autoregressive Predictive Coding (NPC), a self-supervised method, to learn a speech representation in a non-autoregressive manner by relying only on local dependencies of speech. NPC has a conceptually simple objective and can be implemented easily with the introduced Masked Convolution Blocks. NPC offers a significant speedup for inference since it is parallelizable in time and has a fixed inference time for each time step regardless of the input sequence length. We discuss and verify the effectiveness of NPC by theoretically and empirically comparing it with other methods. We show that the NPC representation is comparable to other methods in speech experiments on phonetic and speaker classification while being more efficient.

This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its latent states. Its architecture attempts to address two major concerns of variational Bayes RNNs: how can latent variables learn meaningful representations and how can the inference model transfer future observations to the latent variables. PV-RNN does both by introducing adaptive vectors mirroring the training data, whose values can then be adapted differently during evaluation. Moreover, prediction errors during backpropagation, rather than external inputs during the forward computation, are used to convey information to the network about the external data. For testing, we introduce error regression for predicting unseen sequences as inspired by predictive coding that leverages those mechanisms. The model introduces a weighting parameter, the meta-prior, to balance the optimization pressure placed on two terms of a lower bound on the marginal likelihood of the sequential data. We test the model on two datasets with probabilistic structures and show that with high values of the meta-prior the network develops deterministic chaos through which the data's randomness is imitated. For low values, the model behaves as a random process. The network performs best on intermediate values, and is able to capture the latent probabilistic structure with good generalization. Analyzing the meta-prior's impact on the network allows to precisely study the theoretical value and practical benefits of incorporating stochastic dynamics in our model. We demonstrate better prediction performance on a robot imitation task with our model using error regression compared to a standard variational Bayes model lacking such a procedure.

Large language models (LLMs) have been shown to exhibit a wide range of capabilities, such as writing robot code from language commands -- enabling non-experts to direct robot behaviors, modify them based on feedback, or compose them to perform new tasks. However, these capabilities (driven by in-context learning) are limited to short-term interactions, where users' feedback remains relevant for only as long as it fits within the context size of the LLM, and can be forgotten over longer interactions. In this work, we investigate fine-tuning the robot code-writing LLMs, to remember their in-context interactions and improve their teachability i.e., how efficiently they adapt to human inputs (measured by average number of corrections before the user considers the task successful). Our key observation is that when human-robot interactions are formulated as a partially observable Markov decision process (in which human language inputs are observations, and robot code outputs are actions), then training an LLM to complete previous interactions can be viewed as training a transition dynamics model -- that can be combined with classic robotics techniques such as model predictive control (MPC) to discover shorter paths to success. This gives rise to Language Model Predictive Control (LMPC), a framework that fine-tunes PaLM 2 to improve its teachability on 78 tasks across 5 robot embodiments -- improving non-expert teaching success rates of unseen tasks by 26.9% while reducing the average number of human corrections from 2.4 to 1.9. Experiments show that LMPC also produces strong meta-learners, improving the success rate of in-context learning new tasks on unseen robot embodiments and APIs by 31.5%. See videos, code, and demos at: https://robot-teaching.github.io/.

Self-supervised learning of visual representations has been focusing on learning content features, which do not capture object motion or location, and focus on identifying and differentiating objects in images and videos. On the other hand, optical flow estimation is a task that does not involve understanding the content of the images on which it is estimated. We unify the two approaches and introduce MC-JEPA, a joint-embedding predictive architecture and self-supervised learning approach to jointly learn optical flow and content features within a shared encoder, demonstrating that the two associated objectives; the optical flow estimation objective and the self-supervised learning objective; benefit from each other and thus learn content features that incorporate motion information. The proposed approach achieves performance on-par with existing unsupervised optical flow benchmarks, as well as with common self-supervised learning approaches on downstream tasks such as semantic segmentation of images and videos.

Accurate diagnosis of heart arrhythmias requires the interpretation of electrocardiograms (ECG), which capture the electrical activity of the heart. Automating this process through machine learning is challenging due to the need for large annotated datasets, which are difficult and costly to collect. To address this issue, transfer learning is often employed, where models are pre-trained on large datasets and fine-tuned for specific ECG classification tasks with limited labeled data. Self-supervised learning has become a widely adopted pre-training method, enabling models to learn meaningful representations from unlabeled datasets. In this work, we explore the joint-embedding predictive architecture (JEPA) for self-supervised learning from ECG data. Unlike invariance-based methods, JEPA does not rely on hand-crafted data augmentations, and unlike generative methods, it predicts latent features rather than reconstructing input data. We create a large unsupervised pre-training dataset by combining ten public ECG databases, amounting to over one million records. We pre-train Vision Transformers using JEPA on this dataset and fine-tune them on various PTB-XL benchmarks. Our results show that JEPA outperforms existing invariance-based and generative approaches, achieving an AUC of 0.945 on the PTB-XL all statements task. JEPA consistently learns the highest quality representations, as demonstrated in linear evaluations, and proves advantageous for pre-training even in the absence of additional data.

This paper explores the automated process of determining stem compatibility by identifying audio recordings of single instruments that blend well with a given musical context. To tackle this challenge, we present Stem-JEPA, a novel Joint-Embedding Predictive Architecture (JEPA) trained on a multi-track dataset using a self-supervised learning approach. Our model comprises two networks: an encoder and a predictor, which are jointly trained to predict the embeddings of compatible stems from the embeddings of a given context, typically a mix of several instruments. Training a model in this manner allows its use in estimating stem compatibility - retrieving, aligning, or generating a stem to match a given mix - or for downstream tasks such as genre or key estimation, as the training paradigm requires the model to learn information related to timbre, harmony, and rhythm. We evaluate our model's performance on a retrieval task on the MUSDB18 dataset, testing its ability to find the missing stem from a mix and through a subjective user study. We also show that the learned embeddings capture temporal alignment information and, finally, evaluate the representations learned by our model on several downstream tasks, highlighting that they effectively capture meaningful musical features.

Obtaining and annotating data can be expensive and time-consuming, especially in complex, low-resource domains. We use GPT-4 and ChatGPT to augment small labeled datasets with synthetic data via simple prompts, in three different classification tasks with varying complexity. For each task, we randomly select a base sample of 500 texts to generate 5,000 new synthetic samples. We explore two augmentation strategies: one that preserves original label distribution and another that balances the distribution. Using a progressively larger training sample size, we train and evaluate a 110M parameter multilingual language model on the real and synthetic data separately. We also test GPT-4 and ChatGPT in a zero-shot setting on the test sets. We observe that GPT-4 and ChatGPT have strong zero-shot performance across all tasks. We find that data augmented with synthetic samples yields a good downstream performance, and particularly aids in low-resource settings, such as in identifying rare classes. Human-annotated data exhibits a strong predictive power, overtaking synthetic data in two out of the three tasks. This finding highlights the need for more complex prompts for synthetic datasets to consistently surpass human-generated ones.

Self-supervised learning methods overcome the key bottleneck for building more capable AI: limited availability of labeled data. However, one of the drawbacks of self-supervised architectures is that the representations that they learn are implicit and it is hard to extract meaningful information about the encoded world states, such as 3D structure of the visual scene encoded in a depth map. Moreover, in the visual domain such representations only rarely undergo evaluations that may be critical for downstream tasks, such as vision for autonomous cars. Herein, we propose a framework for evaluating visual representations for illumination invariance in the context of depth perception. We develop a new predictive coding-based architecture and a hybrid fully-supervised/self-supervised learning method. We propose a novel architecture that extends the predictive coding approach: PRedictive Lateral bottom-Up and top-Down Encoder-decoder Network (PreludeNet), which explicitly learns to infer and predict depth from video frames. In PreludeNet, the encoder's stack of predictive coding layers is trained in a self-supervised manner, while the predictive decoder is trained in a supervised manner to infer or predict the depth. We evaluate the robustness of our model on a new synthetic dataset, in which lighting conditions (such as overall illumination, and effect of shadows) can be be parametrically adjusted while keeping all other aspects of the world constant. PreludeNet achieves both competitive depth inference performance and next frame prediction accuracy. We also show how this new network architecture, coupled with the hybrid fully-supervised/self-supervised learning method, achieves balance between the said performance and invariance to changes in lighting. The proposed framework for evaluating visual representations can be extended to diverse task domains and invariance tests.

Inference-Time Scaling has been critical to the success of recent models such as OpenAI o1 and DeepSeek R1. However, many techniques used to train models for inference-time scaling require tasks to have answers that can be verified, limiting their application to domains such as math, coding and logical reasoning. We take inspiration from how humans make first attempts, ask for detailed feedback from others and make improvements based on such feedback across a wide spectrum of open-ended endeavors. To this end, we collect data for and train dedicated Feedback and Edit Models that are capable of performing inference-time scaling for open-ended general-domain tasks. In our setup, one model generates an initial response, which are given feedback by a second model, that are then used by a third model to edit the response. We show that performance on Arena Hard, a benchmark strongly predictive of Chatbot Arena Elo can be boosted by scaling the number of initial response drafts, effective feedback and edited responses. When scaled optimally, our setup based on 70B models from the Llama 3 family can reach SoTA performance on Arena Hard at 92.7 as of 5 Mar 2025, surpassing OpenAI o1-preview-2024-09-12 with 90.4 and DeepSeek R1 with 92.3.

This paper demonstrates an approach for learning highly semantic image representations without relying on hand-crafted data-augmentations. We introduce the Image-based Joint-Embedding Predictive Architecture (I-JEPA), a non-generative approach for self-supervised learning from images. The idea behind I-JEPA is simple: from a single context block, predict the representations of various target blocks in the same image. A core design choice to guide I-JEPA towards producing semantic representations is the masking strategy; specifically, it is crucial to (a) sample target blocks with sufficiently large scale (semantic), and to (b) use a sufficiently informative (spatially distributed) context block. Empirically, when combined with Vision Transformers, we find I-JEPA to be highly scalable. For instance, we train a ViT-Huge/14 on ImageNet using 16 A100 GPUs in under 72 hours to achieve strong downstream performance across a wide range of tasks, from linear classification to object counting and depth prediction.

Tokenization is associated with many poorly understood shortcomings in language models (LMs), yet remains an important component for long sequence scaling purposes. This work studies how tokenization impacts model performance by analyzing and comparing the stochastic behavior of tokenized models with their byte-level, or token-free, counterparts. We discover that, even when the two models are statistically equivalent, their predictive distributions over the next byte can be substantially different, a phenomenon we term as "tokenization bias''. To fully characterize this phenomenon, we introduce the Byte-Token Representation Lemma, a framework that establishes a mapping between the learned token distribution and its equivalent byte-level distribution. From this result, we develop a next-byte sampling algorithm that eliminates tokenization bias without requiring further training or optimization. In other words, this enables zero-shot conversion of tokenized LMs into statistically equivalent token-free ones. We demonstrate its broad applicability with two use cases: fill-in-the-middle (FIM) tasks and model ensembles. In FIM tasks where input prompts may terminate mid-token, leading to out-of-distribution tokenization, our method mitigates performance degradation and achieves an approximately 18% improvement in FIM coding benchmarks, consistently outperforming the standard token healing fix. For model ensembles where each model employs a distinct vocabulary, our approach enables seamless integration, resulting in improved performance (up to 3.7%) over individual models across various standard baselines in reasoning, knowledge, and coding.

The joint-embedding predictive architecture (JEPA) recently has shown impressive results in extracting visual representations from unlabeled imagery under a masking strategy. However, we reveal its disadvantages, notably its insufficient understanding of local semantics. This deficiency originates from masked modeling in the embedding space, resulting in a reduction of discriminative power and can even lead to the neglect of critical local semantics. To bridge this gap, we introduce DMT-JEPA, a novel masked modeling objective rooted in JEPA, specifically designed to generate discriminative latent targets from neighboring information. Our key idea is simple: we consider a set of semantically similar neighboring patches as a target of a masked patch. To be specific, the proposed DMT-JEPA (a) computes feature similarities between each masked patch and its corresponding neighboring patches to select patches having semantically meaningful relations, and (b) employs lightweight cross-attention heads to aggregate features of neighboring patches as the masked targets. Consequently, DMT-JEPA demonstrates strong discriminative power, offering benefits across a diverse spectrum of downstream tasks. Through extensive experiments, we demonstrate our effectiveness across various visual benchmarks, including ImageNet-1K image classification, ADE20K semantic segmentation, and COCO object detection tasks. Code is available at: https://github.com/DMTJEPA/DMTJEPA.

The growing Synthetic Aperture Radar (SAR) data has the potential to build a foundation model through Self-Supervised Learning (SSL) methods, which can achieve various SAR Automatic Target Recognition (ATR) tasks with pre-training in large-scale unlabeled data and fine-tuning in small labeled samples. SSL aims to construct supervision signals directly from the data, which minimizes the need for expensive expert annotation and maximizes the use of the expanding data pool for a foundational model. This study investigates an effective SSL method for SAR ATR, which can pave the way for a foundation model in SAR ATR. The primary obstacles faced in SSL for SAR ATR are the small targets in remote sensing and speckle noise in SAR images, corresponding to the SSL approach and signals. To overcome these challenges, we present a novel Joint-Embedding Predictive Architecture for SAR ATR (SAR-JEPA), which leverages local masked patches to predict the multi-scale SAR gradient representations of unseen context. The key aspect of SAR-JEPA is integrating SAR domain features to ensure high-quality self-supervised signals as target features. Besides, we employ local masks and multi-scale features to accommodate the various small targets in remote sensing. By fine-tuning and evaluating our framework on three target recognition datasets (vehicle, ship, and aircraft) with four other datasets as pre-training, we demonstrate its outperformance over other SSL methods and its effectiveness with increasing SAR data. This study showcases the potential of SSL for SAR target recognition across diverse targets, scenes, and sensors.Our codes and weights are available in \url{https://github.com/waterdisappear/SAR-JEPA.

ImageNet has become a reputable resource for transfer learning, allowing the development of efficient ML models with reduced training time and data requirements. However, vibration analysis in predictive maintenance, structural health monitoring, and fault diagnosis, lacks a comparable large-scale, annotated dataset to facilitate similar advancements. To address this, a dataset framework is proposed that begins with bearing vibration data as an initial step towards creating a universal dataset for vibration-based spectrogram analysis for all machinery. The initial framework includes a collection of bearing vibration signals from various publicly available datasets. To demonstrate the advantages of this framework, experiments were conducted using a deep learning architecture, showing improvements in model performance when pre-trained on bearing vibration data and fine-tuned on a smaller, domain-specific dataset. These findings highlight the potential to parallel the success of ImageNet in visual computing but for vibration analysis. For future work, this research will include a broader range of vibration signals from multiple types of machinery, emphasizing spectrogram-based representations of the data. Each sample will be labeled according to machinery type, operational status, and the presence or type of faults, ensuring its utility for supervised and unsupervised learning tasks. Additionally, a framework for data preprocessing, feature extraction, and model training specific to vibration data will be developed. This framework will standardize methodologies across the research community, allowing for collaboration and accelerating progress in predictive maintenance, structural health monitoring, and related fields. By mirroring the success of ImageNet in visual computing, this dataset has the potential to improve the development of intelligent systems in industrial applications.

Predictive models often need to work with incomplete information in real-world tasks. Consequently, they must provide reliable probability or confidence estimation, especially in large-scale decision-making and planning tasks. Current large language models (LLMs) are insufficient for accurate estimations, but they can generate relevant factors that may affect the probabilities, produce coarse-grained probabilities when the information is more complete, and help determine which factors are relevant to specific downstream contexts. In this paper, we make use of these capabilities of LLMs to provide a significantly more accurate probabilistic estimation. We propose BIRD, a novel probabilistic inference framework that aligns a Bayesian network with LLM abductions and then estimates more accurate probabilities in a deduction step. We show BIRD provides reliable probability estimations that are 30% better than those provided directly by LLM baselines. These estimates further contribute to better and more trustworthy decision making.

We introduce Lagrangian Flow Networks (LFlows) for modeling fluid densities and velocities continuously in space and time. By construction, the proposed LFlows satisfy the continuity equation, a PDE describing mass conservation in its differentiable form. Our model is based on the insight that solutions to the continuity equation can be expressed as time-dependent density transformations via differentiable and invertible maps. This follows from classical theory of the existence and uniqueness of Lagrangian flows for smooth vector fields. Hence, we model fluid densities by transforming a base density with parameterized diffeomorphisms conditioned on time. The key benefit compared to methods relying on numerical ODE solvers or PINNs is that the analytic expression of the velocity is always consistent with changes in density. Furthermore, we require neither expensive numerical solvers, nor additional penalties to enforce the PDE. LFlows show higher predictive accuracy in density modeling tasks compared to competing models in 2D and 3D, while being computationally efficient. As a real-world application, we model bird migration based on sparse weather radar measurements.

Massively Multilingual Transformer based Language Models have been observed to be surprisingly effective on zero-shot transfer across languages, though the performance varies from language to language depending on the pivot language(s) used for fine-tuning. In this work, we build upon some of the existing techniques for predicting the zero-shot performance on a task, by modeling it as a multi-task learning problem. We jointly train predictive models for different tasks which helps us build more accurate predictors for tasks where we have test data in very few languages to measure the actual performance of the model. Our approach also lends us the ability to perform a much more robust feature selection and identify a common set of features that influence zero-shot performance across a variety of tasks.

Joint Embedding Predictive Architectures (JEPAs) learn representations able to solve numerous downstream tasks out-of-the-box. JEPAs combine two objectives: (i) a latent-space prediction term, i.e., the representation of a slightly perturbed sample must be predictable from the original sample's representation, and (ii) an anti-collapse term, i.e., not all samples should have the same representation. While (ii) is often considered as an obvious remedy to representation collapse, we uncover that JEPAs' anti-collapse term does much more--it provably estimates the data density. In short, any successfully trained JEPA can be used to get sample probabilities, e.g., for data curation, outlier detection, or simply for density estimation. Our theoretical finding is agnostic of the dataset and architecture used--in any case one can compute the learned probabilities of sample x efficiently and in closed-form using the model's Jacobian matrix at x. Our findings are empirically validated across datasets (synthetic, controlled, and Imagenet) and across different Self Supervised Learning methods falling under the JEPA family (I-JEPA and DINOv2) and on multimodal models, such as MetaCLIP. We denote the method extracting the JEPA learned density as {\bf JEPA-SCORE}.

Despite their impressive predictive performance in various computer vision tasks, deep neural networks (DNNs) tend to make overly confident predictions, which hinders their widespread use in safety-critical applications. While there have been recent attempts to calibrate DNNs, most of these efforts have primarily been focused on classification tasks, thus neglecting DNN-based object detectors. Although several recent works addressed calibration for object detection and proposed differentiable penalties, none of them are consistent estimators of established concepts in calibration. In this work, we tackle the challenge of defining and estimating calibration error specifically for this task. In particular, we adapt the definition of classification calibration error to handle the nuances associated with object detection, and predictions in structured output spaces more generally. Furthermore, we propose a consistent and differentiable estimator of the detection calibration error, utilizing kernel density estimation. Our experiments demonstrate the effectiveness of our estimator against competing train-time and post-hoc calibration methods, while maintaining similar detection performance.

Are world models a necessary ingredient for flexible, goal-directed behaviour, or is model-free learning sufficient? We provide a formal answer to this question, showing that any agent capable of generalizing to multi-step goal-directed tasks must have learned a predictive model of its environment. We show that this model can be extracted from the agent's policy, and that increasing the agents performance or the complexity of the goals it can achieve requires learning increasingly accurate world models. This has a number of consequences: from developing safe and general agents, to bounding agent capabilities in complex environments, and providing new algorithms for eliciting world models from agents.

Large Language Models have demonstrated remarkable abilities in reasoning and planning by breaking down complex problems into sequential steps. Despite their success in various domains like mathematical problem-solving and coding, LLMs face challenges in ensuring reliable and optimal planning due to their inherent myopic nature of autoregressive decoding. This paper revisits LLM reasoning from an optimal-control perspective, proposing a novel method, Predictive-Decoding, that leverages Model Predictive Control to enhance planning accuracy. By re-weighting LLM distributions based on foresight trajectories, Predictive-Decoding aims to mitigate early errors and promote non-myopic planning. Our experiments show significant improvements in a wide range of tasks for math, coding, and agents. Furthermore, Predictive-Decoding demonstrates computational efficiency, outperforming search baselines with reduced computational resources. This study provides insights into optimizing LLM planning capabilities.

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological information of a graph using persistent homology. TOGL can be easily integrated into any type of GNN and is strictly more expressive (in terms the Weisfeiler--Lehman graph isomorphism test) than message-passing GNNs. Augmenting GNNs with TOGL leads to improved predictive performance for graph and node classification tasks, both on synthetic data sets, which can be classified by humans using their topology but not by ordinary GNNs, and on real-world data.

Forecasting urban phenomena such as housing prices and public health indicators requires the effective integration of various geospatial data. Current methods primarily utilize task-specific models, while recent foundation models for spatial representations often support only limited modalities and lack multimodal fusion capabilities. To overcome these challenges, we present UrbanFusion, a Geo-Foundation Model (GeoFM) that features Stochastic Multimodal Fusion (SMF). The framework employs modality-specific encoders to process different types of inputs, including street view imagery, remote sensing data, cartographic maps, and points of interest (POIs) data. These multimodal inputs are integrated via a Transformer-based fusion module that learns unified representations. An extensive evaluation across 41 tasks in 56 cities worldwide demonstrates UrbanFusion's strong generalization and predictive performance compared to state-of-the-art GeoAI models. Specifically, it 1) outperforms prior foundation models on location-encoding, 2) allows multimodal input during inference, and 3) generalizes well to regions unseen during training. UrbanFusion can flexibly utilize any subset of available modalities for a given location during both pretraining and inference, enabling broad applicability across diverse data availability scenarios. All source code is available at https://github.com/DominikM198/UrbanFusion.

Integrating large language models into specialized domains like healthcare presents unique challenges, including domain adaptation and limited labeled data. We introduce CU-ICU, a method for customizing unsupervised instruction-finetuned language models for ICU datasets by leveraging the Text-to-Text Transfer Transformer (T5) architecture. CU-ICU employs a sparse fine-tuning approach that combines few-shot prompting with selective parameter updates, enabling efficient adaptation with minimal supervision. Our evaluation across critical ICU tasks--early sepsis detection, mortality prediction, and clinical note generation--demonstrates that CU-ICU consistently improves predictive accuracy and interpretability over standard fine-tuning methods. Notably, CU-ICU achieves up to a 15% increase in sepsis detection accuracy and a 20% enhancement in generating clinically relevant explanations while updating fewer than 1% of model parameters in its most efficient configuration. These results establish CU-ICU as a scalable, low-overhead solution for delivering accurate and interpretable clinical decision support in real-world ICU environments.

Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crystals poses unique challenges for geometric graph representation learning. Specifically, constructing graphs that effectively capture the complete geometric information of crystals and handle chiral crystals remains an unsolved and challenging problem. In this paper, we introduce a novel approach that utilizes the periodic patterns of unit cells to establish the lattice-based representation for each atom, enabling efficient and expressive graph representations of crystals. Furthermore, we propose ComFormer, a SE(3) transformer designed specifically for crystalline materials. ComFormer includes two variants; namely, iComFormer that employs invariant geometric descriptors of Euclidean distances and angles, and eComFormer that utilizes equivariant vector representations. Experimental results demonstrate the state-of-the-art predictive accuracy of ComFormer variants on various tasks across three widely-used crystal benchmarks. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

The enduring challenge in the field of artificial intelligence has been the control of systems to achieve desired behaviours. While for systems governed by straightforward dynamics equations, methods like Linear Quadratic Regulation (LQR) have historically proven highly effective, most real-world tasks, which require a general problem-solver, demand world models with dynamics that cannot be easily described by simple equations. Consequently, these models must be learned from data using neural networks. Most model predictive control (MPC) algorithms designed for visual world models have traditionally explored gradient-free population-based optimisation methods, such as Cross Entropy and Model Predictive Path Integral (MPPI) for planning. However, we present an exploration of a gradient-based alternative that fully leverages the differentiability of the world model. In our study, we conduct a comparative analysis between our method and other MPC-based alternatives, as well as policy-based algorithms. In a sample-efficient setting, our method achieves on par or superior performance compared to the alternative approaches in most tasks. Additionally, we introduce a hybrid model that combines policy networks and gradient-based MPC, which outperforms pure policy based methods thereby holding promise for Gradient-based planning with world models in complex real-world tasks.

Diffusion models have demonstrated remarkable efficacy in various generative tasks with the predictive prowess of denoising model. Currently, diffusion models employ a uniform denoising model across all timesteps. However, the inherent variations in data distributions at different timesteps lead to conflicts during training, constraining the potential of diffusion models. To address this challenge, we propose a novel two-stage divide-and-conquer training strategy termed TDC Training. It groups timesteps based on task similarity and difficulty, assigning highly customized denoising models to each group, thereby enhancing the performance of diffusion models. While two-stage training avoids the need to train each model separately, the total training cost is even lower than training a single unified denoising model. Additionally, we introduce Proxy-based Pruning to further customize the denoising models. This method transforms the pruning problem of diffusion models into a multi-round decision-making problem, enabling precise pruning of diffusion models. Our experiments validate the effectiveness of TDC Training, demonstrating improvements in FID of 1.5 on ImageNet64 compared to original IDDPM, while saving about 20\% of computational resources.

We introduce a convolutional neural network that operates directly on graphs. These networks allow end-to-end learning of prediction pipelines whose inputs are graphs of arbitrary size and shape. The architecture we present generalizes standard molecular feature extraction methods based on circular fingerprints. We show that these data-driven features are more interpretable, and have better predictive performance on a variety of tasks.

Geospatial models must adapt to the diversity of Earth observation data in terms of resolutions, scales, and modalities. However, existing approaches expect fixed input configurations, which limits their practical applicability. We propose AnySat, a multimodal model based on joint embedding predictive architecture (JEPA) and resolution-adaptive spatial encoders, allowing us to train a single model on highly heterogeneous data in a self-supervised manner. To demonstrate the advantages of this unified approach, we compile GeoPlex, a collection of 5 multimodal datasets with varying characteristics and 11 distinct sensors. We then train a single powerful model on these diverse datasets simultaneously. Once fine-tuned, we achieve better or near state-of-the-art results on the datasets of GeoPlex and 4 additional ones for 5 environment monitoring tasks: land cover mapping, tree species identification, crop type classification, change detection, and flood segmentation. The code and models are available at https://github.com/gastruc/AnySat.

Automated feature engineering plays a critical role in improving predictive model performance for tabular learning tasks. Traditional automated feature engineering methods are limited by their reliance on pre-defined transformations within fixed, manually designed search spaces, often neglecting domain knowledge. Recent advances using Large Language Models (LLMs) have enabled the integration of domain knowledge into the feature engineering process. However, existing LLM-based approaches use direct prompting or rely solely on validation scores for feature selection, failing to leverage insights from prior feature discovery experiments or establish meaningful reasoning between feature generation and data-driven performance. To address these challenges, we propose LLM-FE, a novel framework that combines evolutionary search with the domain knowledge and reasoning capabilities of LLMs to automatically discover effective features for tabular learning tasks. LLM-FE formulates feature engineering as a program search problem, where LLMs propose new feature transformation programs iteratively, and data-driven feedback guides the search process. Our results demonstrate that LLM-FE consistently outperforms state-of-the-art baselines, significantly enhancing the performance of tabular prediction models across diverse classification and regression benchmarks.

In the landscape of Recommender System (RS) applications, reinforcement learning (RL) has recently emerged as a powerful tool, primarily due to its proficiency in optimizing long-term rewards. Nevertheless, it suffers from instability in the learning process, stemming from the intricate interactions among bootstrapping, off-policy training, and function approximation. Moreover, in multi-reward recommendation scenarios, designing a proper reward setting that reconciles the inner dynamics of various tasks is quite intricate. In response to these challenges, we introduce DT4IER, an advanced decision transformer-based recommendation model that is engineered to not only elevate the effectiveness of recommendations but also to achieve a harmonious balance between immediate user engagement and long-term retention. The DT4IER applies an innovative multi-reward design that adeptly balances short and long-term rewards with user-specific attributes, which serve to enhance the contextual richness of the reward sequence ensuring a more informed and personalized recommendation process. To enhance its predictive capabilities, DT4IER incorporates a high-dimensional encoder, skillfully designed to identify and leverage the intricate interrelations across diverse tasks. Furthermore, we integrate a contrastive learning approach within the action embedding predictions, a strategy that significantly boosts the model's overall performance. Experiments on three real-world datasets demonstrate the effectiveness of DT4IER against state-of-the-art Sequential Recommender Systems (SRSs) and Multi-Task Learning (MTL) models in terms of both prediction accuracy and effectiveness in specific tasks. The source code is accessible online to facilitate replication

We propose the Distance-informed Neural Process (DNP), a novel variant of Neural Processes that improves uncertainty estimation by combining global and distance-aware local latent structures. Standard Neural Processes (NPs) often rely on a global latent variable and struggle with uncertainty calibration and capturing local data dependencies. DNP addresses these limitations by introducing a global latent variable to model task-level variations and a local latent variable to capture input similarity within a distance-preserving latent space. This is achieved through bi-Lipschitz regularization, which bounds distortions in input relationships and encourages the preservation of relative distances in the latent space. This modeling approach allows DNP to produce better-calibrated uncertainty estimates and more effectively distinguish in- from out-of-distribution data. Empirical results demonstrate that DNP achieves strong predictive performance and improved uncertainty calibration across regression and classification tasks.

Learning predictive models from observations using deep neural networks (DNNs) is a promising new approach to many real-world planning and control problems. However, common DNNs are too unstructured for effective planning, and current control methods typically rely on extensive sampling or local gradient descent. In this paper, we propose a new framework for integrated model learning and predictive control that is amenable to efficient optimization algorithms. Specifically, we start with a ReLU neural model of the system dynamics and, with minimal losses in prediction accuracy, we gradually sparsify it by removing redundant neurons. This discrete sparsification process is approximated as a continuous problem, enabling an end-to-end optimization of both the model architecture and the weight parameters. The sparsified model is subsequently used by a mixed-integer predictive controller, which represents the neuron activations as binary variables and employs efficient branch-and-bound algorithms. Our framework is applicable to a wide variety of DNNs, from simple multilayer perceptrons to complex graph neural dynamics. It can efficiently handle tasks involving complicated contact dynamics, such as object pushing, compositional object sorting, and manipulation of deformable objects. Numerical and hardware experiments show that, despite the aggressive sparsification, our framework can deliver better closed-loop performance than existing state-of-the-art methods.

Due to high utility in many applications, from social networks to blockchain to power grids, deep learning on non-Euclidean objects such as graphs and manifolds, coined Geometric Deep Learning (GDL), continues to gain an ever increasing interest. We propose a new L\'evy Flights Graph Convolutional Networks (LFGCN) method for semi-supervised learning, which casts the L\'evy Flights into random walks on graphs and, as a result, allows both to accurately account for the intrinsic graph topology and to substantially improve classification performance, especially for heterogeneous graphs. Furthermore, we propose a new preferential P-DropEdge method based on the Girvan-Newman argument. That is, in contrast to uniform removing of edges as in DropEdge, following the Girvan-Newman algorithm, we detect network periphery structures using information on edge betweenness and then remove edges according to their betweenness centrality. Our experimental results on semi-supervised node classification tasks demonstrate that the LFGCN coupled with P-DropEdge accelerates the training task, increases stability and further improves predictive accuracy of learned graph topology structure. Finally, in our case studies we bring the machinery of LFGCN and other deep networks tools to analysis of power grid networks - the area where the utility of GDL remains untapped.

Accurate and transparent financial information disclosure is essential in accounting and finance, fostering trust and enabling informed investment decisions that drive economic development. Among many information disclosure platforms, the Chinese stock exchanges' investor interactive platform provides a novel and interactive way for listed firms to disclose information of interest to investors through an online question-and-answer (Q&A) format. However, it is common for listed firms to respond to questions with limited or no substantive information, and automatically evaluating the quality of financial information disclosure on large amounts of Q&A pairs is challenging. In this study, our interdisciplinary team of AI and finance professionals proposed FinTruthQA, a benchmark designed to evaluate advanced natural language processing (NLP) techniques for the automatic quality assessment of information disclosure in financial Q&A data. It comprises 6,000 real-world financial Q&A entries and each Q&A was manually annotated based on four key evaluation criteria. We benchmarked various NLP techniques on FinTruthQA, including large language models(LLMs). Experiments showed that existing NLP models have strong predictive ability for question identification and question relevance tasks, but are suboptimal for answer readability and answer relevance tasks. By establishing this benchmark, we provide a robust foundation for the automatic evaluation of information disclosure, demonstrating how AI can be leveraged for social good by promoting transparency, fairness, and investor protection in financial disclosure practices. FinTruthQA can be used by auditors, regulators, and financial analysts for real-time monitoring and data-driven decision-making, as well as by researchers for advanced studies in accounting and finance, ultimately fostering greater trust and efficiency in the financial markets.

Machine learning has emerged as a powerful tool for scientific discovery, enabling researchers to extract meaningful insights from complex datasets. For instance, it has facilitated the identification of disease-predictive genes from gene expression data, significantly advancing healthcare. However, the traditional process for analyzing such datasets demands substantial human effort and expertise for the data selection, processing, and analysis. To address this challenge, we introduce a novel framework, a Team of AI-made Scientists (TAIS), designed to streamline the scientific discovery pipeline. TAIS comprises simulated roles, including a project manager, data engineer, and domain expert, each represented by a Large Language Model (LLM). These roles collaborate to replicate the tasks typically performed by data scientists, with a specific focus on identifying disease-predictive genes. Furthermore, we have curated a benchmark dataset to assess TAIS's effectiveness in gene identification, demonstrating our system's potential to significantly enhance the efficiency and scope of scientific exploration. Our findings represent a solid step towards automating scientific discovery through large language models.

Large-scale self-supervised models have recently revolutionized our ability to perform a variety of tasks within the vision and language domains. However, using such models for autonomous systems is challenging because of safety requirements: besides executing correct actions, an autonomous agent must also avoid the high cost and potentially fatal critical mistakes. Traditionally, self-supervised training mainly focuses on imitating previously observed behaviors, and the training demonstrations carry no notion of which behaviors should be explicitly avoided. In this work, we propose Control Barrier Transformer (ConBaT), an approach that learns safe behaviors from demonstrations in a self-supervised fashion. ConBaT is inspired by the concept of control barrier functions in control theory and uses a causal transformer that learns to predict safe robot actions autoregressively using a critic that requires minimal safety data labeling. During deployment, we employ a lightweight online optimization to find actions that ensure future states lie within the learned safe set. We apply our approach to different simulated control tasks and show that our method results in safer control policies compared to other classical and learning-based methods such as imitation learning, reinforcement learning, and model predictive control.

Selecting an effective training signal for machine learning tasks is difficult: expert annotations are expensive, and crowd-sourced annotations may not be reliable. Recent work has demonstrated that learning from a distribution over labels acquired from crowd annotations can be effective both for performance and uncertainty estimation. However, this has mainly been studied using a limited set of soft-labeling methods in an in-domain setting. Additionally, no one method has been shown to consistently perform well across tasks, making it difficult to know a priori which to choose. To fill these gaps, this paper provides the first large-scale empirical study on learning from crowd labels in the out-of-domain setting, systematically analyzing 8 soft-labeling methods on 4 language and vision tasks. Additionally, we propose to aggregate soft-labels via a simple average in order to achieve consistent performance across tasks. We demonstrate that this yields classifiers with improved predictive uncertainty estimation in most settings while maintaining consistent raw performance compared to learning from individual soft-labeling methods or taking a majority vote of the annotations. We additionally highlight that in regimes with abundant or minimal training data, the selection of soft labeling method is less important, while for highly subjective labels and moderate amounts of training data, aggregation yields significant improvements in uncertainty estimation over individual methods. Code can be found at https://github.com/copenlu/aggregating-crowd-annotations-ood.