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We present an empirical study in the geometric task of learning interatomic potentials, which shows equivariance matters even more at larger scales; we show a clear power-law scaling behaviour with respect to data, parameters and compute…
Data profiling is critical in machine learning for generating descriptive statistics, supporting both deeper understanding and downstream tasks like data valuation and curation. This work addresses profiling specifically in the context of…
Large Language Models (LLMs) exhibit impressive reasoning abilities, yet their reliance on structured step-by-step processing reveals a critical limitation. In contrast, human cognition fluidly adapts between intuitive, heuristic (System 1)…
Despite the superior performance of Large Reasoning Models (LRMs), their reasoning behaviors are often counterintuitive, leading to suboptimal reasoning capabilities. To theoretically formalize the desired reasoning behaviors, this paper…
Large language models (LLMs) have demonstrated remarkable capabilities but often struggle to align with human preferences, leading to harmful or undesirable outputs. Preference learning, which trains models to distinguish between preferred…
Modern large language models (LLMs) represent a paradigm shift in what can plausibly be expected of machine learning models. The fact that LLMs can effectively generate sensible answers to a diverse range of queries suggests that they would…
Large language models (LLMs) have shown incredible performance in completing various real-world tasks. The current paradigm of knowledge learning for LLMs is mainly based on learning from examples, in which LLMs learn the internal rule…
Training large language models (LLMs) with chain-of-thought (CoT) supervision has proven effective for enhancing their reasoning abilities. However, obtaining reliable and accurate reasoning supervision remains a significant challenge. We…
Predicting material properties is crucial for designing better batteries, semiconductors, and medical devices. Deep learning helps scientists quickly find promising materials by predicting their energy, forces, and stresses. Companies scale…
Large language models (LLMs) with reasoning capabilities have fueled a compelling narrative that reasoning universally improves performance across language tasks. We test this claim through a comprehensive evaluation of 504 configurations…
Predicting changes from scaling advanced AI systems is a desirable property for engineers, economists, governments and industry alike, and, while a well-established literature exists on how pretraining performance scales, predictable…
LLM evaluation benchmarks have traditionally separated the testing of knowledge/reasoning capabilities from instruction following. In this work, we study the interaction between knowledge and instruction following, and observe that LLMs…
While large language models (LLMs) have demonstrated impressive capabilities across various natural language processing tasks by acquiring rich factual knowledge from their broad training data, their ability to synthesize and logically…
Many software development platforms now support LLM-driven programming, or "vibe coding", a technique that allows one to specify programs in natural language and iterate from observed behavior, all without directly editing source code.…
In this paper, we ask: what truly determines the effectiveness of RL training data for enhancing language models' reasoning capabilities? While recent advances like o1, Deepseek R1, and Kimi1.5 demonstrate RL's potential, the lack of…
Test-time compute scaling has demonstrated the ability to improve the performance of reasoning language models by generating longer chain-of-thought (CoT) sequences. However, this increase in performance comes with a significant increase in…
Rule-based adaptation is a foundational approach to self-adaptation, characterized by its human readability and rapid response. However, building high-performance and robust adaptation rules is often a challenge because it essentially…
Scaling laws enable the optimal selection of data amount and language model size, yet the impact of the data unit, the token, on this relationship remains underexplored. In this work, we systematically investigate how the information…
With LLMs shifting their role from statistical modeling of language to serving as general-purpose AI agents, how should LLM evaluations change? Arguably, a key ability of an AI agent is to flexibly combine, as needed, the basic skills it…
Instruction Fine-Tuning (IFT) significantly enhances the zero-shot capabilities of pretrained Large Language Models (LLMs). While coding data is known to boost LLM reasoning abilities during pretraining, its role in activating internal…