Related papers: Aligning Reasoning LLMs for Materials Discovery wi…

In the quest to enable robots to coexist with humans, understanding dynamic situations and selecting appropriate actions based on common sense and affordances are essential. Conventional AI systems face challenges in applying affordance, as…

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

Reinforcement learning (RL) faces challenges in evaluating policy trajectories within intricate game tasks due to the difficulty in designing comprehensive and precise reward functions. This inherent difficulty curtails the broader…

With rapid advances in code generation, reasoning, and problem-solving, Large Language Models (LLMs) are increasingly applied in robotics. Most existing work focuses on high-level tasks such as task decomposition. A few studies have…

Instruction tuning has been central to the success of recent vision-language models (VLMs), but it remains expensive-requiring large-scale datasets, high-quality annotations, and large compute budgets. We propose PRioritized cOncept…

Signal-agnostic data exploration based on machine learning could unveil very subtle statistical deviations of collider data from the expected Standard Model of particle physics. The beneficial impact of a large training sample on machine…

Large Language Models (LLMs) enhanced with retrieval -- commonly referred to as Retrieval-Augmented Generation (RAG) -- have demonstrated strong performance in knowledge-intensive tasks. However, RAG pipelines often fail when retrieved…

Mathematical reasoning is a primary indicator of large language models (LLMs) intelligence. However, existing LLMs exhibit failures of robustness and generalization. This paper attributes these deficiencies to spurious reasoning, i.e.,…

Large Reasoning Models (LRMs) have demonstrated remarkable performance on tasks such as mathematics and code generation. Motivated by these strengths, recent work has empirically demonstrated the effectiveness of LRMs as guard models in…

Reinforcement learning exhibits potential in enhancing the reasoning abilities of large language models, yet it is hard to scale for the low sample efficiency during the rollout phase. Existing methods attempt to improve efficiency by…

MLLMs have been successfully applied to multimodal embedding tasks, yet their generative reasoning capabilities remain underutilized. Directly incorporating chain-of-thought reasoning into embedding learning introduces two fundamental…

Proposing new materials by atom substitution based on periodic table similarity is a conventional strategy of searching for materials with desired property. We introduce a machine learning frame work that promotes this paradigm to be…

Process supervision, i.e., evaluating each step, is critical for complex large language model (LLM) reasoning and test-time searching with increased inference compute. Existing approaches, represented by process reward models (PRMs),…

The emergence of large language models (LLMs) has revolutionized machine learning and related fields, showcasing remarkable abilities in comprehending, generating, and manipulating human language. However, their conventional usage through…

Retrieval-Augmented Generation (RAG) has recently emerged as a method to extend beyond the pre-trained knowledge of Large Language Models by augmenting the original prompt with relevant passages or documents retrieved by an Information…

Due to their architecture and vast pre-training data, large language models (LLMs) demonstrate strong text classification performance. However, LLM output - here, the category assigned to a text - depends heavily on the wording of the…

Frontier reasoning models are produced by posttraining base language models with reinforcement learning. Recent work has challenged this by showing that sampling from a sharpened version of the base model's distribution, a so-called power…

CO2 reduction requires efficient catalysts, yet materials discovery remains bottlenecked by 10-20 year development cycles requiring deep domain expertise. This paper demonstrates how large language models can assist the catalyst discovery…

Scaling laws have allowed Pre-trained Language Models (PLMs) into the field of causal reasoning. Causal reasoning of PLM relies solely on text-based descriptions, in contrast to causal discovery which aims to determine the causal…

Large Language Models (LLMs) have shown improved generation performance through retrieval-augmented generation (RAG) following the retriever-reader paradigm, which supplements model inputs with externally retrieved knowledge. However, prior…