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Organic reaction mechanisms are the stepwise elementary reactions by which reactants form intermediates and products, and are fundamental to understanding chemical reactivity and designing new molecules and reactions. Although large…

Artificial Intelligence · Computer Science 2026-05-05 Ruiling Xu , Yifan Zhang , Qingyun Wang , Carl Edwards , Heng Ji

Mental health disorders represent a burgeoning global public health challenge. While Large Language Models (LLMs) have demonstrated potential in psychiatric assessment, their clinical utility is severely constrained by benchmarks that lack…

Artificial Intelligence · Computer Science 2026-02-04 Xiao Sun , Yuming Yang , Junnan Zhu , Jiang Zhong , Xinyu Zhou , Kaiwen Wei

Recent advances in Large Language Models (LLMs) have demonstrated promising knowledge and reasoning abilities, yet their performance in multilingual and low-resource settings remains underexplored. Existing benchmarks often exhibit cultural…

Computation and Language · Computer Science 2025-05-21 Khanh-Tung Tran , Barry O'Sullivan , Hoang D. Nguyen

Reasoning Language Models (RLMs) have gained traction for their ability to perform complex, multi-step reasoning tasks through mechanisms such as Chain-of-Thought (CoT) prompting or fine-tuned reasoning traces. While these capabilities…

Computation and Language · Computer Science 2025-07-04 Riccardo Cantini , Nicola Gabriele , Alessio Orsino , Domenico Talia

Recent advances in Large Language Models (LLMs) have shown promising results in complex reasoning tasks. However, current evaluations predominantly focus on single-turn reasoning scenarios, leaving interactive tasks largely unexplored. We…

Computation and Language · Computer Science 2026-05-22 Xiaoyuan Li , Keqin Bao , Yubo Ma , Moxin Li , Wenjie Wang , Rui Men , Yichang Zhang , Fuli Feng , Dayiheng Liu

Large language models (LLMs) have shown remarkable ability in various language tasks, especially with their emergent in-context learning capability. Extending LLMs to incorporate visual inputs, large vision-language models (LVLMs) have…

Machine Learning · Computer Science 2025-10-13 Aneesh Komanduri , Karuna Bhaila , Xintao Wu

Complex reasoning ability is one of the most important features of current LLMs, which has also been leveraged to play an integral role in complex decision-making tasks. Therefore, the investigation into the reasoning capabilities of Large…

Artificial Intelligence · Computer Science 2024-02-13 Lizhou Fan , Wenyue Hua , Lingyao Li , Haoyang Ling , Yongfeng Zhang

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

In the rapidly evolving field of artificial intelligence, large language models (LLMs) have emerged as powerful tools for a myriad of applications, from natural language processing to decision-making support systems. However, as these…

Computation and Language · Computer Science 2025-07-08 Jianchao Ji , Yutong Chen , Mingyu Jin , Wujiang Xu , Wenyue Hua , Yongfeng Zhang

The rapid increase in textual information means we need more efficient methods to sift through, organize, and understand it all. While retrieval-augmented generation (RAG) models excel in accessing information from large document…

Computation and Language · Computer Science 2025-03-14 Seiji Maekawa , Hayate Iso , Nikita Bhutani

Large Language Models (LLMs) are increasingly integrated into the software engineering ecosystem. Their test-time compute (TTC) reasoning capabilities show significant potential for understanding program logic and semantics beyond mere…

Computation and Language · Computer Science 2025-10-22 Yifeng He , Luning Yang , Christopher Castro Gaw Gonzalo , Hao Chen

Robotic path planning problems are often NP-hard, and practical solutions typically rely on approximation algorithms with provable performance guarantees for general cases. While designing such algorithms is challenging, formally proving…

Robotics · Computer Science 2026-03-23 Zhengbang Yang , Md. Tasin Tazwar , Minghan Wei , Zhuangdi Zhu

Large Language Models (LLMs) trained via Reinforcement Learning (RL) have recently achieved impressive results on reasoning benchmarks. Yet, growing evidence shows that these models often generate longer but ineffective chains of thought…

Machine Learning · Computer Science 2025-07-02 Jhouben Cuesta-Ramirez , Samuel Beaussant , Mehdi Mounsif

The evaluation and improvement of medical large language models (LLMs) are critical for their real-world deployment, particularly in ensuring accuracy, safety, and ethical alignment. Existing frameworks inadequately dissect domain-specific…

Computation and Language · Computer Science 2025-03-11 Luyi Jiang , Jiayuan Chen , Lu Lu , Xinwei Peng , Lihao Liu , Junjun He , Jie Xu

Despite the remarkable proficiency of \textit{Large Reasoning Models} (LRMs) in handling complex reasoning tasks, their reliability in safety-critical scenarios remains uncertain. Existing evaluations primarily assess response-level safety,…

Artificial Intelligence · Computer Science 2025-05-27 Baihui Zheng , Boren Zheng , Kerui Cao , Yingshui Tan , Zhendong Liu , Weixun Wang , Jiaheng Liu , Jian Yang , Wenbo Su , Xiaoyong Zhu , Bo Zheng , Kaifu Zhang

This survey paper outlines the key developments in the field of Large Language Models (LLMs), including enhancements to their reasoning skills, adaptability to various tasks, increased computational efficiency, and the ability to make…

Computation and Language · Computer Science 2026-02-12 Asifullah Khan , Muhammad Zaeem Khan , Aleesha Zainab , Saleha Jamshed , Sadia Ahmad , Kaynat Khatib , Faria Bibi , Abdul Rehman

This study investigates the reasoning robustness of large language models (LLMs) on mathematical problem-solving tasks under systematically introduced input perturbations. Using the GSM8K dataset as a controlled testbed, we evaluate how…

Artificial Intelligence · Computer Science 2025-04-04 Giannis Chatziveroglou , Richard Yun , Maura Kelleher

Numerous benchmarks aim to evaluate the capabilities of Large Language Models (LLMs) for causal inference and reasoning. However, many of them can likely be solved through the retrieval of domain knowledge, questioning whether they achieve…

Machine Learning · Computer Science 2024-07-12 Linying Yang , Vik Shirvaikar , Oscar Clivio , Fabian Falck

How should one judge whether a given large language model (LLM) can reliably perform economic reasoning? Most existing LLM benchmarks focus on specific applications and fail to present the model with a rich variety of economic tasks. A…

Computation and Language · Computer Science 2025-02-20 Narun Raman , Taylor Lundy , Thiago Amin , Jesse Perla , Kevin Leyton-Brown

Large Language Models (LLMs) have demonstrated potential in cybersecurity applications but have also caused lower confidence due to problems like hallucinations and a lack of truthfulness. Existing benchmarks provide general evaluations but…