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Thinking Large Language Models (LLMs) generate explicit intermediate reasoning traces before final answers, potentially improving transparency, interpretability, and solution accuracy for code generation. However, the quality of these…

Artificial Intelligence · Computer Science 2025-11-11 Haoran Xue , Gias Uddin , Song Wang

Building precise simulations of the real world and invoking numerical solvers to answer quantitative problems is an essential requirement in engineering and science. We present FEABench, a benchmark to evaluate the ability of large language…

Artificial Intelligence · Computer Science 2025-04-09 Nayantara Mudur , Hao Cui , Subhashini Venugopalan , Paul Raccuglia , Michael P. Brenner , Peter Norgaard

Research in AI4Science has shown promise in many science applications, including polymer design. However, current LLMs are ineffective in this problem space because: (i) most models lack polymer-specific knowledge, and (ii) existing aligned…

Computation and Language · Computer Science 2026-05-28 Dikshya Mohanty , Mohammad Saqib Hasan , Syed Mostofa Monsur , Size Zheng , Benjamin Hsiao , Niranjan Balasubramanian

Large language models (LLMs) achieve impressive performance on complex mathematical benchmarks yet sometimes fail on basic math reasoning while generating unnecessarily verbose responses. In this paper, we present LLMThinkBench, a…

Computation and Language · Computer Science 2026-04-24 Gaurav Srivastava , Aafiya Hussain , Sriram Srinivasan , Xuan Wang

Task automation has been greatly empowered by the recent advances in Large Language Models (LLMs) via Python code, where the tasks ranging from software engineering development to general-purpose reasoning. While current benchmarks have…

In recent years, the research focus of large language models (LLMs) and agents has shifted increasingly from demonstrating novel capabilities to complex reasoning and tackling challenging tasks. However, existing evaluations focus mainly on…

Existing tasks fall short in evaluating reasoning ability of Large Language Models (LLMs) in an interactive, unknown environment. This deficiency leads to the isolated assessment of deductive, inductive, and abductive reasoning, neglecting…

Artificial Intelligence · Computer Science 2026-05-07 Congchi Yin , Tianyi Wu , Yankai Shu , Alex Gu , Yunhan Wang , Jun Shao , Xun Jiang , Piji Li

Despite the remarkable advancements and widespread applications of deep neural networks, their ability to perform reasoning tasks remains limited, particularly in domains requiring structured, abstract thought. In this paper, we investigate…

Computation and Language · Computer Science 2025-09-16 Satyam Goyal , Soham Dan

Multimodal Large Language Models (MLLMs) excel at recognizing individual visual elements and reasoning over simple linear diagrams. However, when faced with complex topological structures involving branching paths, converging flows, and…

Artificial Intelligence · Computer Science 2026-04-24 Qiang Xu , Shengyuan Bai , Yu Wang , He Cao , Leqing Chen , Yuanyuan Liu , Bin Feng , Zijing Liu , Yu Li

Large Language Models (LLMs) are increasingly used for boosting organizational efficiency and automating tasks. While not originally designed for complex cognitive processes, recent efforts have further extended to employ LLMs in activities…

Artificial Intelligence · Computer Science 2024-08-13 Fabiana Fournier , Lior Limonad , Inna Skarbovsky

Large language models (LLMs) have been widely adopted as the core of agent frameworks in various scenarios, such as social simulations and AI companions. However, the extent to which they can replicate human-like motivations remains an…

Computation and Language · Computer Science 2025-06-17 Xixian Yong , Jianxun Lian , Xiaoyuan Yi , Xiao Zhou , Xing Xie

Test-time scaling has significantly improved large language model performance, enabling deeper reasoning to solve complex problems. However, this increased reasoning capability also leads to excessive token generation and unnecessary…

Large language models (LLMs) can perform reasoning computations both internally within their latent space and externally by generating explicit token sequences like chains of thought. Significant progress in enhancing reasoning abilities…

Computation and Language · Computer Science 2025-04-16 Thilo Hagendorff , Sarah Fabi

Large language models (LLMs) have shown strong performance on mathematical reasoning under well-defined conditions. However, real-world engineering problems involve uncertainty, context, and open-ended settings that extend beyond symbolic…

Artificial Intelligence · Computer Science 2026-05-05 Xiyuan Zhou , Xinlei Wang , Yirui He , Yang Wu , Ruixi Zou , Yuheng Cheng , Yulu Xie , Wenxuan Liu , Huan Zhao , Yan Xu , Jinjin Gu , Junhua Zhao

Answer Set Programming (ASP) is a powerful paradigm for non-monotonic reasoning. Recently, large language models (LLMs) have demonstrated promising capabilities in logical reasoning. Despite this potential, current evaluations of LLM…

Artificial Intelligence · Computer Science 2025-07-29 Lin Ren , Guohui Xiao , Guilin Qi , Yishuai Geng , Haohan Xue

Most of the existing Large Language Model (LLM) benchmarks on scientific problem reasoning focus on problems grounded in high-school subjects and are confined to elementary algebraic operations. To systematically examine the reasoning…

Computation and Language · Computer Science 2024-07-01 Xiaoxuan Wang , Ziniu Hu , Pan Lu , Yanqiao Zhu , Jieyu Zhang , Satyen Subramaniam , Arjun R. Loomba , Shichang Zhang , Yizhou Sun , Wei Wang

Large Language Models (LLMs) have the potential to enhance Agent-Based Modeling by better representing complex interdependent cybersecurity systems, improving cybersecurity threat modeling and risk management. However, evaluating LLMs in…

Cryptography and Security · Computer Science 2024-06-12 Tam n. Nguyen

With the rapid development and widespread application of Large Language Models (LLMs), multidimensional evaluation has become increasingly critical. However, current evaluations are often domain-specific and overly complex, limiting their…

Computation and Language · Computer Science 2025-05-20 Haitao Wu , Zongbo Han , Joey Tianyi Zhou , Huaxi Huang , Changqing Zhang

Recently developed large language models (LLMs) have been shown to perform remarkably well on a wide range of language understanding tasks. But, can they really "reason" over the natural language? This question has been receiving…

Computation and Language · Computer Science 2024-06-07 Mihir Parmar , Nisarg Patel , Neeraj Varshney , Mutsumi Nakamura , Man Luo , Santosh Mashetty , Arindam Mitra , Chitta Baral

Large Language Model (LLM)-powered agents have unlocked new possibilities for automating human tasks. While prior work has focused on well-defined tasks with specified goals, the capabilities of agents in creative design tasks with…

Artificial Intelligence · Computer Science 2025-04-17 Dayeon Ki , Tianyi Zhou , Marine Carpuat , Gang Wu , Puneet Mathur , Viswanathan Swaminathan