Tong Xie


2026

Large language models (LLMs) have shown potential in assisting scientific research, yet their ability to discover high-quality research hypotheses remains unexamined due to the lack of a dedicated benchmark. To address this gap, we introduce the first large-scale benchmark for evaluating LLMs on a sufficient set of scientific discovery sub-tasks—inspiration retrieval, hypothesis composition, and hypothesis ranking—where sufficient means that perfectly solving these sub-tasks perfectly solves the overall discovery task. We develop an automated LLM-based framework that extracts critical components—research questions, background surveys, inspirations, and hypotheses—from papers across 12 disciplines, with expert validation confirming its accuracy. To prevent data contamination, we focus exclusively on publications from 2024 onward, ensuring minimal overlap with LLM pretraining data; our automated framework further enables automatic extraction of even more recent papers as LLM pretraining cutoffs advance, supporting scalable and contamination-free automatic renewal of this discovery benchmark. Our evaluation shows that, across disciplines, LLMs excel at inspiration retrieval—an out-of-distribution task—suggesting their ability to surface novel knowledge associations.

2025

This paper presents LLaMA-Berry, an advanced mathematical reasoning framework to enhance the problem-solving ability of large language models (LLMs). The framework combines Monte Carlo Tree Search with Self-Refine (SR-MCTS) to optimize the reasoning paths and utilizes a pairwise reward model to evaluate different paths globally. By leveraging the self-critique and rewriting capabilities of LLMs, our SR-MCTS overcomes the inefficiencies and limitations of conventional step-wise and greedy search algorithms, enabling a more efficient exploration of solution spaces. To guide the search process, we propose the Pairwise Preference Reward Model (PPRM), which predicts pairwise preferences between solutions through instruction-following capabilities trained by Reinforcement Learning from Human Feedback (RLHF). Finally, the Enhanced Borda Count (EBC) method is adopted to synthesize pairwise preferences into global quantile scores for evaluations. This approach mitigates the challenges of scoring variability and non-independent distributions in mathematical reasoning tasks. The framework has been tested on general and advanced benchmarks, showing superior search efficiency and performance compared to existing open-source and closed-source methods, particularly in complex Olympiad-level benchmarks, including AIME24 and AMC23.