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Evaluating LLMs in Open-Source Games

Neural Information Processing Systems

Large Language Models' (LLMs) programming capabilities enable their participation in \textit{open-source games}: a game-theoretic setting in which players submit computer programs in lieu of actions. These programs offer numerous advantages, including interpretability, inter-agent transparency, and formal verifiability; additionally, they enable \textit{program equilibria}, solutions that leverage the transparency of code and are inaccessible within normal-form settings. We evaluate the capabilities of leading open-and closed-weight LLMs to predict and classify program strategies and evaluate features of the approximate program equilibria reached by LLM agents in dyadic and evolutionary settings. We identify the emergence of payoff-maximizing, cooperative, and deceptive strategies, characterize the adaptation of mechanisms within these programs over repeated open-source games, and analyze their comparative evolutionary fitness. We find that open-source games serve as a viable environment to study and steer the emergence of cooperative strategy in multi-agent dilemmas.


For Better or for Worse, Transformers Seek Patterns for Memorization

Neural Information Processing Systems

Memorization in language models is a critical yet poorly understood phenomenon. In this work, we investigate memorization in transformer-based language models by analyzing their memorization dynamics during training over multiple epochs. We find that memorization is neither a constant accumulation of sequences nor simply dictated by the recency of exposure to these sequences. Instead, much like generalization, memorization appears to be driven by pattern recognition. Tracking memorization dynamics in mixed datasets, we observe that models memorize different sub-datasets in distinct bursts, suggesting that each subset is associated with unique underlying patterns, and that the model prefers to learn these patterns in a consistent order. We also find that easily learnable patterns tend to support generalization on unseen data, while more complex patterns do not. Furthermore, in datasets with weak or absent patterns, larger models may delay memorization relative to smaller ones, a behavior we term $\textit{overthinking}$. Our results show that the subset of sequences memorized by a model over time is not arbitrary, and give insights into the internal processes a model goes through during training.


LLM Interpretability with Identifiable Temporal-Instantaneous Representation

Neural Information Processing Systems

Despite Large Language Models' remarkable capabilities, understanding their internal representations remains challenging. Mechanistic interpretability tools such as sparse autoencoders (SAEs) were developed to extract interpretable features from LLMs but lack temporal dependency modeling, instantaneous relation representation, and more importantly theoretical guarantees--undermining both the theoretical foundations and the practical confidence necessary for subsequent analyses. While causal representation learning (CRL) offers theoretically-grounded approaches for uncovering latent concepts, existing methods cannot scale to LLMs' rich conceptual space due to inefficient computation. To bridge the gap, we introduce an identifiable temporal causal representation learning framework specifically designed for LLMs' high-dimensional concept space, capturing both time-delayed and instantaneous causal relations. Our approach provides theoretical guarantees and demonstrates efficacy on synthetic datasets scaled to match real-world complexity. By extending SAE techniques with our temporal causal framework, we successfully discover meaningful concept relationships in LLM activations. Our findings show that modeling both temporal and instantaneous conceptual relationships advances the interpretability of LLMs.


Non-monotone Submodular Optimization: p -Matchoid Constraints and Fully Dynamic Setting

Neural Information Processing Systems

Submodular maximization subject to a $p$-matchoid constraint has various applications in machine learning, particularly in tasks such as feature selection, video and text summarization, movie recommendation, graph-based learning, and constraint-based optimization. We study this problem in the dynamic setting, where a sequence of insertions and deletions of elements to a $p$-matchoid $\mathcal{M}(\mathcal{V},\mathcal{I})$ occurs over time and the goal is to efficiently maintain an approximate solution. We propose a dynamic algorithm for non-monotone submodular maximization under a $p$-matchoid constraint.


Reasoning Models Better Express Their Confidence

Neural Information Processing Systems

Despite their strengths, large language models (LLMs) often fail to communicate their confidence accurately, making it difficult to assess when they might be wrong and limiting their reliability. In this work, we demonstrate that reasoning models that engage in extended chain-of-thought (CoT) reasoning exhibit superior performance not only in problem-solving but also in accurately expressing their confidence. Specifically, we benchmark six reasoning models across six datasets and find that they achieve strictly better confidence calibration than their non-reasoning counterparts in 33 out of the 36 settings. Our detailed analysis reveals that these gains in calibration stem from the slow thinking behaviors of reasoning models (e.g., exploring alternative approaches and backtracking) which enable them to adjust their confidence dynamically throughout their CoT, making it progressively more accurate. In particular, we find that reasoning models become increasingly better calibrated as their CoT unfolds, a trend not observed in non-reasoning models. Moreover, removing slow thinking behaviors from the CoT leads to a significant drop in calibration. Lastly, we show that non-reasoning models also demonstrate enhanced calibration when simply guided to slow think via in-context learning, fully isolating slow thinking as the source of the calibration gains.


Cross-fluctuation phase transitions reveal sampling dynamics in diffusion models

Neural Information Processing Systems

We analyse how the sampling dynamics of distributions evolve in score-based diffusion models using \emph{cross-fluctuations}, a centered-moment statistic from statistical physics. Specifically, we show that starting from an unbiased isotropic normal distribution, samples undergo sharp, discrete transitions, eventually forming distinct events of a desired distribution while progressively revealing finer structure. As this process is reversible, these transitions also occur in reverse, where intermediate states progressively merge, tracing a path back to the initial distribution. We demonstrate that these transitions can be detected as discontinuities in $n^{\text{th}}$-order cross-fluctuations. For variance-preserving SDEs, we derive a closed-form for these cross-fluctuations that is efficiently computable for the reverse trajectory.


Tabula: A Tabular Self-Supervised Foundation Model for Single-Cell Transcriptomics

Neural Information Processing Systems

Foundation models (FMs) have shown great promise in single-cell genomics, yet current approaches, such as scGPT, Geneformer, and scFoundation, rely on centralized training and language modeling objectives that overlook the tabular nature of single-cell data and raise significant privacy concerns. We present TABULA, a foundation model designed for single-cell transcriptomics, which integrates a novel tabular modeling objective and federated learning framework to enable privacy-preserving pretraining across decentralized datasets.


Latent Chain-of-Thought for Visual Reasoning

Neural Information Processing Systems

Chain-of-thought (CoT) reasoning is critical for improving the interpretability and reliability of Large Vision-Language Models (LVLMs). However, existing training algorithms such as SFT, PPO, and GRPO may not generalize well across unseen reasoning tasks and heavily rely on a biased reward model. To address this challenge, we reformulate reasoning in LVLMs as posterior inference and propose a scalable training algorithm based on amortized variational inference. By leveraging diversity-seeking reinforcement learning algorithms, we introduce a novel sparse reward function for token-level learning signals that encourage diverse, high-likelihood latent CoT, overcoming deterministic sampling limitations and avoiding reward hacking. Additionally, we implement a Bayesian inference-scaling strategy that replaces costly Best-of-N and Beam Search with a marginal likelihood to efficiently rank optimal rationales and answers. We empirically demonstrate that the proposed method enhances the state-of-the-art LVLMs on four reasoning benchmarks, in terms of effectiveness, generalization, and interpretability.


SeRL: Self-play Reinforcement Learning for Large Language Models with Limited Data

Neural Information Processing Systems

Recent advances have demonstrated the effectiveness of Reinforcement Learning (RL) in improving the reasoning capabilities of Large Language Models (LLMs). However, existing works inevitably rely on high-quality instructions and verifiable rewards for effective training, both of which are often difficult to obtain in specialized domains. In this paper, we propose Self-play Reinforcement Learning (SeRL) to bootstrap LLM training with limited initial data. Specifically, SeRL comprises two complementary modules: self-instruction and self-rewarding. The former module generates additional instructions based on the available data at each training step, employing comprehensive online filtering strategies to ensure instruction quality, diversity, and difficulty. The latter module introduces a simple yet effective majority-voting mechanism to estimate response rewards for additional instructions, eliminating the need for external annotations. Finally, SeRL performs conventional RL based on the generated data, facilitating iterative self-play learning. Extensive experiments on various reasoning benchmarks and across different LLM backbones demonstrate that the proposed SeRL yields results superior to its counterparts and achieves performance on par with those obtained by high-quality data with verifiable rewards.


Understanding Bias Terms in Neural Representations

Neural Information Processing Systems

In this paper, we examine the impact and significance of bias terms in Implicit Neural Representations (INRs). While bias terms are known to enhance nonlinear capacity by shifting activations in typical neural networks, we discover their functionality differs markedly in neural representation networks. Our analysis reveals that INR performance neither scales with increased number of bias terms nor shows substantial improvement through bias term gradient propagation. We demonstrate that bias terms in INRs primarily serve to eliminate \textit{spatial aliasing} caused by symmetry from both coordinates and activation functions, with input-layer bias terms yielding the most significant benefits. These findings challenge the conventional practice of implementing full-bias INR architecture. We propose using freezing bias terms exclusively in input layers, which consistently outperforms fully biased networks in signal fitting tasks. Furthermore, we introduce Feature-Biased INRs~(Feat-Bias), which initialize input-layer bias with high-level features extracted from pre-trained models. This feature-biasing approach effectively addresses the limited performance in INR post-processing tasks due to neural parameter uninterpretability, achieving superior accuracy while reducing parameter count and improving reconstruction quality.