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While automated chemical tools excel at specific tasks, they have struggled to capture the strategic thinking that characterizes expert chemical reasoning. Here we demonstrate that large language models (LLMs) can serve as powerful tools…

Artificial Intelligence · Computer Science 2025-07-25 Andres M Bran , Theo A Neukomm , Daniel P Armstrong , Zlatko Jončev , Philippe Schwaller

There emerges a promising trend of using large language models (LLMs) to generate code-like plans for complex inference tasks such as visual reasoning. This paradigm, known as LLM-based planning, provides flexibility in problem solving and…

Computation and Language · Computer Science 2023-08-22 Pengbo Hu , Ji Qi , Xingyu Li , Hong Li , Xinqi Wang , Bing Quan , Ruiyu Wang , Yi Zhou

Recent advancements in reasoning have significantly enhanced the capabilities of Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) across diverse tasks. However, excessive reliance on chain-of-thought (CoT) reasoning…

Computation and Language · Computer Science 2025-05-22 Jinghui Lu , Haiyang Yu , Siliang Xu , Shiwei Ran , Guozhi Tang , Siqi Wang , Bin Shan , Teng Fu , Hao Feng , Jingqun Tang , Han Wang , Can Huang

Reasoning about failures is crucial for building reliable and trustworthy robotic systems. Prior approaches either treat failure reasoning as a closed-set classification problem or assume access to ample human annotations. Failures in the…

Large Language Models (LLMs) have demonstrated impressive reasoning capabilities, especially when guided by explicit chain-of-thought (CoT) reasoning that verbalizes intermediate steps. While CoT improves both interpretability and accuracy,…

Large Language Models (LLMs) were shown to struggle with long-term planning, which may be caused by the limited way in which they explore the space of possible solutions. We propose an architecture where a Reinforcement Learning (RL) Agent…

Machine Learning · Computer Science 2024-10-18 Yoav Alon , Cristina David

Large Language Models (LLMs) have attained human-level accuracy on medical question-answer (QA) benchmarks. However, their limitations in navigating open-ended clinical scenarios have recently been shown, raising concerns about the…

Computation and Language · Computer Science 2025-11-13 Jonathan Kim , Anna Podlasek , Kie Shidara , Feng Liu , Ahmed Alaa , Danilo Bernardo

Large language models (LLMs) have shown impressive capabilities, but still struggle with complex reasoning tasks requiring multiple steps. While prompt-based methods like Chain-of-Thought (CoT) can improve LLM reasoning at inference time,…

Artificial Intelligence · Computer Science 2024-11-25 Haolin Chen , Yihao Feng , Zuxin Liu , Weiran Yao , Akshara Prabhakar , Shelby Heinecke , Ricky Ho , Phil Mui , Silvio Savarese , Caiming Xiong , Huan Wang

Reasoning has long been viewed as an emergent property of large language models (LLMs). However, recent studies challenge this assumption, showing that small language models (SLMs) can also achieve competitive reasoning performance. This…

Computation and Language · Computer Science 2025-10-01 Gaurav Srivastava , Shuxiang Cao , Xuan Wang

Large language models (LLMs) have revolutionized many areas (e.g. natural language processing, software engineering, etc.) by achieving state-of-the-art performance on extensive downstream tasks. Aiming to achieve robust and general…

Artificial Intelligence · Computer Science 2024-01-18 Zhiming Li , Yushi Cao , Xiufeng Xu , Junzhe Jiang , Xu Liu , Yon Shin Teo , Shang-wei Lin , Yang Liu

The development of high-level autonomous driving (AD) is shifting from perception-centric limitations to a more fundamental bottleneck, namely, a deficit in robust and generalizable reasoning. Although current AD systems manage structured…

Artificial Intelligence · Computer Science 2026-03-13 Kejin Yu , Yuhan Sun , Taiqiang Wu , Ruixu Zhang , Zhiqiang Lin , Yuxin Meng , Junjie Wang , Yujiu Yang

Large language models (LLMs) are increasingly embedded in AI-based tutoring systems. Can they faithfully model novice reasoning and metacognitive judgments? Existing evaluations emphasize problem-solving accuracy, overlooking the fragmented…

Computation and Language · Computer Science 2026-05-12 Conrad Borchers , Jill-Jênn Vie , Roger Azevedo

Personalization is a critical task in modern intelligent systems, with applications spanning diverse domains, including interactions with large language models (LLMs). Recent advances in reasoning capabilities have significantly enhanced…

Computation and Language · Computer Science 2025-05-26 Sichun Luo , Guanzhi Deng , Jian Xu , Xiaojie Zhang , Hanxu Hou , Linqi Song

Large reasoning models (LRMs) achieve impressive reasoning capabilities by generating lengthy chain-of-thoughts, but this "overthinking" incurs high latency and cost without commensurate accuracy gains. In this work, we introduce AALC, a…

Computation and Language · Computer Science 2025-08-11 Ruosen Li , Ziming Luo , Quan Zhang , Ruochen Li , Ben Zhou , Ali Payani , Xinya Du

Recent advances in Large Language Models (LLMs) demonstrate that chain-of-thought prompting and deep reasoning substantially enhance performance on complex tasks, and multi-agent systems can further improve accuracy by enabling model…

Artificial Intelligence · Computer Science 2025-10-16 Zehui Ling , Deshu Chen , Yichi Zhang , Yuchen Liu , Xigui Li , Xin Guo , Yuan Cheng

With the rise of artificial intelligence (AI), applying large language models (LLMs) to mathematical problem-solving has attracted increasing attention. Most existing approaches attempt to improve Operations Research (OR) optimization…

Artificial Intelligence · Computer Science 2025-08-04 Bowen Zhang , Pengcheng Luo , Genke Yang , Boon-Hee Soong , Chau Yuen

Large Language Models (LLMs) have shown impressive performance across various domains, but their ability to perform molecular reasoning remains underexplored. Existing methods mostly rely on general-purpose prompting, which lacks…

While Large Language Models (LLMs) demonstrate exceptional performance in surface-level text generation, their nature in handling complex multi-step reasoning tasks often remains one of ``statistical fitting'' rather than systematic logical…

Machine Learning · Computer Science 2026-01-27 Lianlei Shan , Han Chen , Yixuan Wang , Zhenjie Liu , Wei Li

Large Language Models (LLMs) have shown impressive capabilities in complex reasoning tasks. However, current approaches employ uniform language density for both intermediate reasoning and final answers, leading to computational…

Computation and Language · Computer Science 2025-12-18 Zhengyi Zhao , Shubo Zhang , Yuxi Zhang , Huimin Wang , Binyang Li , Kam-Fai Wong

We study reasoning tasks through a framework that integrates auto-regressive (AR) and non-autoregressive (NAR) language models. AR models, which generate text sequentially, excel at producing coherent outputs but often suffer from slow…

Artificial Intelligence · Computer Science 2025-09-26 Qihang Ai , Haiyun Jiang