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Brain-JEPA: Brain Dynamics Foundation Model with Gradient Positioning and Spatiotemporal Masking

Neural Information Processing Systems

We introduce, a brain dynamics foundation model with the Joint-Embedding Predictive Architecture (JEPA). This pioneering model achieves state-of-the-art performance in demographic prediction, disease diagnosis/prognosis, and trait prediction through fine-tuning. Furthermore, it excels in off-the-shelf evaluations (e.g., linear probing) and demonstrates superior generalizability across different ethnic groups, surpassing the previous large model for brain activity significantly.


ConceptMix: A Compositional Image Generation Benchmark with Controllable Difficulty

Neural Information Processing Systems

Compositionality is a critical capability in Text-to-Image (T2I) models, as it reflects their ability to understand and combine multiple concepts from text descriptions. Existing evaluations of compositional capability rely heavily on human-designed text prompts or fixed templates, limiting their diversity and complexity, and yielding low discriminative power. We propose ConceptMix, a scalable, controllable, and customizable benchmark which automatically evaluates compositional generation ability of T2I models. This is done in two stages. First, ConceptMix generates the text prompts: concretely, using categories of visual concepts (e.g., objects, colors, shapes, spatial relationships), it randomly samples an object and k-tuples of visual concepts, then uses GPT-4o to generate text prompts for image generation based on these sampled concepts.


Learning Infinitesimal Generators of Continuous Symmetries from Data

Neural Information Processing Systems

Exploiting symmetry inherent in data can significantly improve the sample efficiency of a learning procedure and the generalization of learned models. When data clearly reveals underlying symmetry, leveraging this symmetry can naturally inform the design of model architectures or learning strategies. Yet, in numerous real-world scenarios, identifying the specific symmetry within a given data distribution often proves ambiguous. To tackle this, some existing works learn symmetry in a data-driven manner, parameterizing and learning expected symmetry through data. However, these methods often rely on explicit knowledge, such as pre-defined Lie groups, which are typically restricted to linear or affine transformations.


Large Language Models Must Be Taught to Know What They Don't Know

Neural Information Processing Systems

When using large language models (LLMs) in high-stakes applications, we need to know when we can trust their predictions. Some works argue that prompting high-performance LLMs is sufficient to produce calibrated uncertainties, while others introduce sampling methods that can be prohibitively expensive. In this work, we first argue that prompting on its own is insufficient to achieve good calibration and then show that fine-tuning on a small dataset of correct and incorrect answers can create an uncertainty estimate with good generalization and small computational overhead. We show that a thousand graded examples are sufficient to outperform baseline methods and that training through the features of a model is necessary for good performance and tractable for large open-source models when using LoRA. We also investigate the mechanisms that enable reliable LLM uncertainty estimation, finding that many models can be used as general-purpose uncertainty estimators, applicable not just to their own uncertainties but also the uncertainty of other models. Lastly, we show that uncertainty estimates inform human use of LLMs in human-AI collaborative settings through a user study.


In-Context Learning with Representations: Contextual Generalization of Trained Transformers

Neural Information Processing Systems

In-context learning (ICL) refers to a remarkable capability of pretrained large language models, which can learn a new task given a few examples during inference. However, theoretical understanding of ICL is largely under-explored, particularly whether transformers can be trained to generalize to unseen examples in a prompt, which will require the model to acquire contextual knowledge of the prompt for generalization. This paper investigates the training dynamics of transformers by gradient descent through the lens of non-linear regression tasks. The contextual generalization here can be attained via learning the template function for each task in-context, where all template functions lie in a linear space with $m$ basis functions. We analyze the training dynamics of one-layer multi-head transformers to {in-contextly} predict unlabeled inputs given partially labeled prompts, where the labels contain Gaussian noise and the number of examples in each prompt are not sufficient to determine the template. Under mild assumptions, we show that the training loss for a one-layer multi-head transformer converges linearly to a global minimum. Moreover, the transformer effectively learns to perform ridge regression over the basis functions. To our knowledge, this study is the first provable demonstration that transformers can learn contextual (i.e., template) information to generalize to both unseen examples and tasks when prompts contain only a small number of query-answer pairs.


Leveraging Contrastive Learning for Enhanced Node Representations in Tokenized Graph Transformers

Neural Information Processing Systems

While tokenized graph Transformers have demonstrated strong performance in node classification tasks, their reliance on a limited subset of nodes with high similarity scores for constructing token sequences overlooks valuable information from other nodes, hindering their ability to fully harness graph information for learning optimal node representations. To address this limitation, we propose a novel graph Transformer called GCFormer. Unlike previous approaches, GCFormer develops a hybrid token generator to create two types of token sequences, positive and negative, to capture diverse graph information. And a tailored Transformer-based backbone is adopted to learn meaningful node representations from these generated token sequences. Additionally, GCFormer introduces contrastive learning to extract valuable information from both positive and negative token sequences, enhancing the quality of learned node representations. Extensive experimental results across various datasets, including homophily and heterophily graphs, demonstrate the superiority of GCFormer in node classification, when compared to representative graph neural networks (GNNs) and graph Transformers.


Sub-optimal Experts mitigate Ambiguity in Inverse Reinforcement Learning

Neural Information Processing Systems

Inverse Reinforcement Learning (IRL) deals with the problem of deducing a reward function that explains the behavior of an expert agent who is assumed to act in an underlying unknown task. Recent works have studied the IRL problem from the perspective of recovering the, i.e., the class of reward functions that are compatible with a unique optimal expert. However, in several problems of interest it is possible to observe the behavior of multiple experts with different degree of optimality (e.g., racing drivers whose skills ranges from amateurs to professionals). For this reason, in this work, we focus on the reconstruction of the feasible reward set when, in addition to demonstrations from the optimal expert, we observe the behavior of multiple . Given this problem, we first study the theoretical properties showing that the presence of multiple sub-optimal experts, in addition to the optimal one, can significantly shrink the set of compatible rewards, ultimately mitigating the inherent ambiguity of IRL.Furthermore, we study the statistical complexity of estimating the feasible reward set with a generative model and analyze a uniform sampling algorithm that turns out to be minimax optimal whenever the sub-optimal experts' performance level is sufficiently close to that of the optimal expert.


A-FedPD: Aligning Dual-Drift is All Federated Primal-Dual Learning Needs

Neural Information Processing Systems

As a popular paradigm for juggling data privacy and collaborative training, federated learning (FL) is flourishing to distributively process the large scale of heterogeneous datasets on edged clients. Due to bandwidth limitations and security considerations, it ingeniously splits the original problem into multiple subproblems to be solved in parallel, which empowers primal dual solutions to great application values in FL. In this paper, we review the recent development of classical federated primal dual methods and point out a serious common defect of such methods in non-convex scenarios, which we say is a ``dual drift'' caused by dual hysteresis of those longstanding inactive clients under partial participation training. To further address this problem, we propose a novel Aligned Federated Primal Dual (A-FedPD) method, which constructs virtual dual updates to align global consensus and local dual variables for those protracted unparticipated local clients. Meanwhile, we provide a comprehensive analysis of the optimization and generalization efficiency for the A-FedPD method on smooth non-convex objectives, which confirms its high efficiency and practicality. Extensive experiments are conducted on several classical FL setups to validate the effectiveness of our proposed method.


SocraticLM: Exploring Socratic Personalized Teaching with Large Language Models

Neural Information Processing Systems

Large language models (LLMs) are considered a crucial technology for advancing intelligent education since they exhibit the potential for an in-depth understanding of teaching scenarios and providing students with personalized guidance. Nonetheless, current LLM-based application in personalized teaching predominantly follows a Question-Answering paradigm, where students are passively provided with answers and explanations. In this paper, we propose SocraticLM, which achieves a Socratic Thought-Provoking teaching paradigm that fulfills the role of a real classroom teacher in actively engaging students in the thought process required for genuine problem-solving mastery. To build SocraticLM, we first propose a novel Dean-Teacher-Student multi-agent pipeline to construct a new dataset, SocraTeach, which contains $35$K meticulously crafted Socratic-style multi-round (equivalent to $208$K single-round) teaching dialogues grounded in fundamental mathematical problems. Our dataset simulates authentic teaching scenarios, interacting with six representative types of simulated students with different cognitive states, and strengthening four crucial teaching abilities. SocraticLM is then fine-tuned on SocraTeach with three strategies balancing its teaching and reasoning abilities. Moreover, we contribute a comprehensive evaluation system encompassing five pedagogical dimensions for assessing the teaching quality of LLMs. Extensive experiments verify that SocraticLM achieves significant improvements in the teaching performance, outperforming GPT4 by more than 12\%.


Exploiting the Replay Memory Before Exploring the Environment: Enhancing Reinforcement Learning Through Empirical MDP Iteration

Neural Information Processing Systems

Reinforcement learning (RL) algorithms are typically based on optimizing a Markov Decision Process (MDP) using the optimal Bellman equation. Recent studies have revealed that focusing the optimization of Bellman equations solely on in-sample actions tends to result in more stable optimization, especially in the presence of function approximation. Upon on these findings, in this paper, we propose an Empirical MDP Iteration (EMIT) framework.