10 accepted papers
We introduce CMPhysBench, designed to assess the proficiency of Large Language Models (LLMs) in Condensed Matter Physics, as a novel Benchmark. CMPhysBench is composed of more than 520 graduate-level meticulously curated questions covering both representative subfields and foundational theoretical f…
Large language models (LLMs) demonstrate strong reasoning abilities via Chain-of-Thought (CoT), but their token-level generation encourages local decisions and lacks global planning, often leading to redundant or inaccurate reasoning. Existing methods, such as tree-based search and reinforcement lea…
Large language models (LLMs) have shown remarkable capabilities in general domains, but their application to multi-omics biology remains underexplored. To address this gap, we introduce Biology-Instructions, the first large-scale instruction-tuning dataset for multi-omics biological sequences, inclu
Large Language Models (LLMs) have achieved remarkable success and have been applied across various scientific fields, including chemistry. However, many chemical tasks require the processing of visual information, which cannot be successfully handled by existing chemical LLMs. This brings a growing…
Text-to-image diffusion model is a popular paradigm that synthesizes personalized images by providing a text prompt and a random Gaussian noise. While people observe that some noises are "golden noises" that can achieve better text-image alignment and higher human preference than others, we still la…
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 eval…
Recent advancements in combining knowledge graphs (KGs) with large language models (LLMs) have demonstrated promising potential in complex KG reasoning tasks, yet existing approaches face limitations in path exploration strategies or excessive computational overhead. We propose ReKG-MCTS, a novel tr…
Retrosynthetic planning is a fundamental task in chemical discovery. Due to the vast combinatorial search space, identifying viable synthetic routes remains a significant challenge--even for expert chemists. Recent advances in Large Language Models (LLMs), particularly equipped with reinforcement le…
The latest heuristic for handling the domain shift in unsupervised domain adaptation tasks is to reduce the data distribution discrepancy using adversarial learning. Recent studies improve the conventional adversarial domain adaptation methods with discriminative information by integrating the class…
While adversarial training becomes one of the most promising defending approaches against adversarial attacks for deep neural networks, the conventional wisdom through robust optimization may usually not guarantee good generalization for robustness. Concerning with robust generalization over unseen…