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Contrastive Representations for Temporal Reasoning

Neural Information Processing Systems

In classical AI, perception relies on learning state-based representations, while planning -- temporal reasoning over action sequences -- is typically achieved through search. We study whether such reasoning can instead emerge from representations that capture both perceptual and temporal structure. We show that standard temporal contrastive learning, despite its popularity, often fails to capture temporal structure due to its reliance on spurious features. To address this, we introduce Contrastive Representations for Temporal Reasoning (CRTR), a method that uses a negative sampling scheme to provably remove these spurious features and facilitate temporal reasoning. CRTR achieves strong results on domains with complex temporal structure, such as Sokoban and Rubik's Cube. In particular, for the Rubik's Cube, CRTR learns representations that generalize across all initial states and allow it to solve the puzzle using fewer search steps than BestFS -- though with longer solutions. To our knowledge, this is the first method that efficiently solves arbitrary Cube states using only learned representations, without relying on an external search algorithm.


ModuLM: Enabling Modular and Multimodal Molecular Relational Learning with Large Language Models

Neural Information Processing Systems

Molecular Relational Learning (MRL) aims to understand interactions between molecular pairs, playing a critical role in advancing biochemical research. With the recent development of large language models (LLMs), a growing number of studies have explored the integration of MRL with LLMs and achieved promising results. However, the increasing availability of diverse LLMs and molecular structure encoders has significantly expanded the model space, presenting major challenges for benchmarking. Currently, there is no LLM framework that supports both flexible molecular input formats and dynamic architectural switching. To address these challenges, reduce redundant coding, and ensure fair model comparison, we propose ModuLM, a framework designed to support flexible LLM-based model construction and diverse molecular representations. ModuLM provides a rich suite of modular components, including 8 types of 2D molecular graph encoders, 11 types of 3D molecular conformation encoders, 7 types of interaction layers, and 7 mainstream LLM backbones. Owing to its highly flexible model assembly mechanism, ModuLM enables the dynamic construction of over 50,000 distinct model configurations. In addition, we provide comprehensive results to demonstrate the effectiveness of ModuLM in supporting LLM-based MRL tasks.


Lessons Learned: AMulti-Agent Framework for Code LLMs to Learn and Improve

Neural Information Processing Systems

Recent studies show that LLMs possess different skills and specialize in different tasks. In fact, we observe that their varied performance occur in several levels of granularity. For example, in the code optimization task, code LLMs excel at different optimization categories and no one dominates others. This observation prompts the question of how one leverages multiple LLM agents to solve a coding problem without knowing their complementary strengths a priori. We argue that a team of agents can learn from each other's successes and failures so as to improve their own performance. Thus, a lesson is the knowledge produced by an agent and passed on to other agents in the collective solution process.


9d411e87d0f37059f40fb27c5de00ba0-Supplemental-Datasets_and_Benchmarks_Track.pdf

Neural Information Processing Systems

The following section is answers to questions listed in datasheets for datasets.858 A.1 Motivation859 Question: For what purpose was the dataset created? Was there a specific task in mind?860 Was there a specific gap that needed to be filled? Answer: To evaluate the linguistic robustness of language models across diverse English862 varieties by transforming Standard American English (SAE) datasets.863 Question: Who created the dataset (e.g., which team, research group) and on behalf of864 which entity (e.g., company, institution, organization)?865 Answer: The authors of this paper.866 Question: Who funded the creation of the dataset? If there is an associated grant, please867 provide the name of the grantor and the grant name and number.868


Trans-EnV: AFramework for Evaluating the Linguistic Robustness of LLMs Against English Varieties

Neural Information Processing Systems

Large Language Models (LLMs) are predominantly evaluated on Standard American English (SAE), often overlooking the diversity of global English varieties. This narrow focus may raise fairness concerns as degraded performance on nonstandard varieties can lead to unequal benefits for users worldwide. Therefore, it is critical to extensively evaluate the linguistic robustness of LLMs on multiple non-standard English varieties. We introduce Trans-EnV, a framework that automatically transforms SAE datasets into multiple English varieties to evaluate the linguistic robustness. Our framework combines (1) linguistics expert knowledge to curate variety-specific features and transformation guidelines from linguistic literature and corpora, and (2) LLM-based transformations to ensure both linguistic validity and scalability. Using Trans-EnV, we transform six benchmark datasets into 38 English varieties and evaluate seven state-of-the-art LLMs. Our results reveal significant performance disparities, with accuracy decreasing by up to 46.3% on non-standard varieties.


Multi agent Enhancing Strategic Interactions of Large Language Model in Language Game

Neural Information Processing Systems

Achieving Artificial General Intelligence (AGI) requires AI agents that can not only make strategic decisions but also engage in flexible and meaningful communication. Inspired by Wittgenstein's language game theory, we propose that language agents can learn through in-context interaction rather than traditional multi-stage frameworks that separate decision-making from language expression. Using Werewolf, a social deduction game that tests language understanding, strategic interaction, and adaptability, as a test bed, we develop the Multi-agent Kahneman-Tversky's Optimization (MaKTO). MaKTO engages diverse models in extensive gameplay to generate unpaired desirable and unacceptable responses, then employs KTO to refine the model's decision-making process. In 9-player Werewolf games, MaKTO achieves a 61% average win rate across various models, outperforming GPT-4o and two-stage RL agents by relative improvements of 23.0% and 10.9%, respectively. Notably, MaKTO also demonstrates human-like performance, winning 60% against expert players and showing only 48.9% detectability in Turing-style blind tests.


Correlation Dimension of Auto-Regressive Large Language Models

Neural Information Processing Systems

Large language models (LLMs) have achieved remarkable progress in natural language generation, yet they continue to display puzzling behaviors--such as repetition and incoherence--even when exhibiting low perplexity. This highlights a key limitation of conventional evaluation metrics, which emphasize local prediction accuracy while overlooking long-range structural complexity. We introduce correlation dimension, a fractal-geometric measure of self-similarity, to quantify the epistemological complexity of text as perceived by a language model.


VIBE: Annotation-Free Video-to-Text Information Bottleneck Evaluation for TL;DR

Neural Information Processing Systems

Many decision-making tasks, where both accuracy and efficiency matter, still require human supervision. For example, tasks like traffic officers reviewing hour-long dashcam footage or researchers screening conference videos can benefit from concise summaries that reduce cognitive load and save time. Yet current vision-language models (VLMs) often produce verbose, redundant outputs that hinder task performance. Existing video caption evaluation depends on costly human annotations and overlooks the summaries' utility in downstream tasks. We address these gaps with Video-to-text Information Bottleneck Evaluation (VIBE), an annotation-free method that scores VLM outputs using two metrics: grounding (how well the summary aligns with visual content) and utility (how informative it is for the task). VIBE selects from randomly sampled VLM outputs by ranking them according to the two scores to support effective human decision-making. Human studies on LearningPaper24, SUTD-TrafficQA, and LongVideoBench show that summaries selected by VIBE consistently improve performance--boosting task accuracy by up to 61.23% and reducing response time by 75.77% compared to naive VLM summaries or raw video. 2


Spectral Graph Neural Networks are Incomplete on Graphs with a Simple Spectrum

Neural Information Processing Systems

Spectral features are widely incorporated within Graph Neural Networks (GNNs) to improve their expressive power, or their ability to distinguish among nonisomorphic graphs. One popular example is the usage of graph Laplacian eigenvectors for positional encoding in MPNNs and Graph Transformers. The expressive power of such Spectrally-enhanced GNNs (SGNNs) is usually evaluated via the k-WL graph isomorphism test hierarchy and homomorphism counting. Yet, these frameworks align poorly with the graph spectra, yielding limited insight into SGNNs' expressive power. In this paper, we leverage a well-studied paradigm of classifying graphs by their largest eigenvalue multiplicity to introduce an expressivity hierarchy for SGNNs. We then prove that many SGNNs are incomplete even on graphs with distinct eigenvalues. To mitigate this deficiency, we adapt rotation equivariant neural networks to the graph spectra setting, yielding equiEPNN, a novel SGNN that provably improves upon contemporary SGNNs' expressivity on simple spectrum graphs. We then demonstrate that equiEPNN achieves perfect eigenvector canonicalization on ZINC, and performs favorably on image classification on MNIST-Superpixel and graph property regression on ZINC, compared to leading spectral methods.


WaLRUS: Wavelets for Long-range Representation Using SSMs

Neural Information Processing Systems

State-Space Models (SSMs) have proven to be powerful tools for modeling longrange dependencies in sequential data. While the recent method known as HiPPO has demonstrated strong performance, and formed the basis for machine learning models S4 and Mamba, it remains limited by its reliance on closed-form solutions for a few specific, well-behaved bases.