Related papers: Chem-R: Learning to Reason as a Chemist

Reinforcement learning (RL) has become a key technique for enhancing the reasoning abilities of large language models (LLMs), with policy-gradient algorithms dominating the post-training stage because of their efficiency and effectiveness.…

Large Language Models (LLMs) demonstrate their reasoning ability through chain-of-thought (CoT) generation. However, LLM's autoregressive decoding may limit the ability to revisit and refine earlier tokens in a holistic manner, which can…

In this paper, we introduce Rank-R1, a novel LLM-based reranker that performs reasoning over both the user query and candidate documents before performing the ranking task. Existing document reranking methods based on large language models…

Rapid developments of AI tools are expected to offer unprecedented assistance to the research of natural science including chemistry. However, neither existing unimodal task-specific specialist models nor emerging general large multimodal…

The rapid advancements in large Language models (LLMs) have significantly enhanced their reasoning capabilities, driven by various strategies such as multi-agent collaboration. However, unlike the well-established performance improvements…

Pre-trained large language models (LMs) struggle to perform logical reasoning reliably despite advances in scale and compositionality. In this work, we tackle this challenge through the lens of symbolic programming. We propose DSR-LM, a…

Large language models (LLMs) can face factual limitations when responding to time-sensitive queries about recent events that arise after their knowledge thresholds in the training corpus. Existing search-augmented approaches fall into two…

Recent advancements have positioned AI, and particularly Large Language Models (LLMs), as transformative tools for scientific research, capable of addressing complex tasks that require reasoning, problem-solving, and decision-making. Their…

Generative retrieval (GR) is an emerging paradigm that leverages large language models (LLMs) to autoregressively generate document identifiers (docids) relevant to a given query. Prior works have focused on leveraging the generative…

Large language models (LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the difficulty of incorporating specialized chemical expertise. To…

Large Language Models (LLMs) have recently demonstrated strong potential in generating 'believable human-like' behavior in web environments. Prior work has explored augmenting training data with LLM-synthesized rationales and applying…

Large language models (LLMs) have unveiled remarkable reasoning capabilities by exploiting chain-of-thought (CoT) prompting, which generates intermediate reasoning chains to serve as the rationale for deriving the answer. However, current…

The growing complexity of log data in modern software systems has prompted the use of Large Language Models (LLMs) for automated log analysis. Current approaches typically rely on direct supervised fine-tuning (SFT) on log-label pairs.…

Inference-time scaling has attracted much attention which significantly enhance the performance of Large Language Models (LLMs) in complex reasoning tasks by increasing the length of Chain-of-Thought. These longer intermediate reasoning…

Unsupervised methods are widely used to induce latent semantic structure from large text collections, yet their outputs often contain incoherent, redundant, or poorly grounded clusters that are difficult to validate without labeled data. We…

Retrieval-Augmented Generation (RAG) has been shown to enhance the factual accuracy of Large Language Models (LLMs), but existing methods often suffer from limited reasoning capabilities in effectively using the retrieved evidence,…

The synthesis of inorganic crystalline materials is essential for modern technology, especially in quantum materials development. However, designing efficient synthesis workflows remains a significant challenge due to the precise…

With the widespread application of multimodal large language models in scientific intelligence, there is an urgent need for more challenging evaluation benchmarks to assess their ability to understand complex scientific data. Scientific…

Large language models (LLMs) exhibit remarkable problem-solving abilities, but struggle with complex tasks due to static internal knowledge. Retrieval-Augmented Generation (RAG) enhances access to external information, yet remains limited…

Acute poly-substance intoxication requires rapid, life-saving decisions under substantial uncertainty, as clinicians must rely on incomplete ingestion details and nonspecific symptoms. Effective diagnostic reasoning in this chaotic…