相关论文: Structured Chemistry Reasoning with Large Language…

Molecular structure elucidation involves deducing a molecule's structure from various types of spectral data, which is crucial in chemical experimental analysis. While large language models (LLMs) have shown remarkable proficiency in…

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…

Large language models (LLMs) are playing an increasingly important role in science and engineering. For example, their ability to parse and understand human and computer languages makes them powerful interpreters and their use in…

Medical question-answering (QA) is a critical task for evaluating how effectively large language models (LLMs) encode clinical knowledge and assessing their potential applications in medicine. Despite showing promise on multiple-choice…

Predicting cancer treatment outcomes requires models that are both accurate and interpretable, particularly in the presence of heterogeneous clinical data. While large language models (LLMs) have shown strong performance in biomedical NLP,…

The ability of Large Language Models (LLMs) to perform reasoning tasks such as deduction has been widely investigated in recent years. Yet, their capacity to generate proofs-faithful, human-readable explanations of why conclusions…

Large language models (LLM) have achieved impressive progress across a broad range of general-purpose tasks, but their effectiveness in chemistry remains limited due to scarce domain-specific datasets and the demand for precise symbolic and…

Large Language Models (LLMs) have demonstrated exceptional capabilities in various natural language tasks, often achieving performances that surpass those of humans. Despite these advancements, the domain of mathematics presents a…

The causal capabilities of large language models (LLMs) are a matter of significant debate, with critical implications for the use of LLMs in societally impactful domains such as medicine, science, law, and policy. We conduct a "behavorial"…

The rise of large language models (LLMs) has significantly impacted various domains, including natural language processing (NLP) and image generation, by making complex computational tasks more accessible. While LLMs demonstrate impressive…

How far are Large Language Models (LLMs) in performing deep relational reasoning? In this paper, we evaluate and compare the reasoning capabilities of three cutting-edge LLMs, namely, DeepSeek-R1, DeepSeek-V3 and GPT-4o, through a suite of…

Large Language Models (LLMs) excel in reasoning tasks through Chain-of-Thought (CoT) prompting. However, CoT prompting greatly increases computational demands, which has prompted growing interest in distilling CoT capabilities into Small…

Large Language Models (LLMs) are increasingly being used to automate programming tasks. Yet, LLMs' capabilities in reasoning about program semantics are still inadequately studied, leaving significant potential for further exploration. This…

Chain-of-thought prompting has demonstrated great success in facilitating the reasoning abilities of large language models. In this work, we explore how these enhanced reasoning abilities can be exploited to improve the robustness of large…

There is a growing interest in the role that LLMs play in chemistry which lead to an increased focus on the development of LLMs benchmarks tailored to chemical domains to assess the performance of LLMs across a spectrum of chemical tasks…

Large Language Models (LLMs) are transformer-based machine learning models that have shown remarkable performance in tasks for which they were not explicitly trained. Here, we explore the potential of LLMs to perform symbolic regression --…

Recent reasoning large language models (LLMs) have demonstrated remarkable improvements in mathematical reasoning capabilities through long Chain-of-Thought. The reasoning tokens of these models enable self-correction within reasoning…

Recovering the structure of causal graphical models from observational data is an essential yet challenging task for causal discovery in scientific scenarios. Domain-specific causal discovery usually relies on expert validation or prior…

There is a significant potential for coding skills to transition fully to natural language in the future. In this context, large language models (LLMs) have shown impressive natural language processing abilities to generate sophisticated…

Reasoning is a fundamental aspect of human intelligence that plays a crucial role in activities such as problem solving, decision making, and critical thinking. In recent years, large language models (LLMs) have made significant progress in…