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Large Language Models (LLMs) are revolutionizing medical diagnostics by enhancing both disease classification and clinical decision-making. In this study, we evaluate the performance of two LLM- based diagnostic tools, DeepSeek R1 and O3…

Computation and Language · Computer Science 2025-06-23 Gaurav Kumar Gupta , Pranal Pande , Nirajan Acharya , Aniket Kumar Singh , Suman Niroula

When encountering increasingly frequent performance improvements or cost reductions from a new large language model (LLM), developers of applications leveraging LLMs must decide whether to take advantage of these improvements or stay with…

Computation and Language · Computer Science 2025-02-20 Rubing Li , João Sedoc , Arun Sundararajan

Interpretability research aims to bridge the gap between empirical success and our scientific understanding of the inner workings of large language models (LLMs). However, most existing research focuses on analyzing a single mechanism, such…

Computation and Language · Computer Science 2024-06-10 Francesco Ortu , Zhijing Jin , Diego Doimo , Mrinmaya Sachan , Alberto Cazzaniga , Bernhard Schölkopf

Large Language Models (LLMs) are widely used in critical fields such as healthcare, education, and finance due to their remarkable proficiency in various language-related tasks. However, LLMs are prone to generating factually incorrect…

Computation and Language · Computer Science 2023-11-27 Muneeswaran I , Shreya Saxena , Siva Prasad , M V Sai Prakash , Advaith Shankar , Varun V , Vishal Vaddina , Saisubramaniam Gopalakrishnan

There is vivid research on adapting Large Language Models (LLMs) to perform a variety of tasks in high-stakes domains such as healthcare. Despite their popularity, there is a lack of understanding of the extent and contributing factors that…

Computation and Language · Computer Science 2024-06-07 Anand Subramanian , Viktor Schlegel , Abhinav Ramesh Kashyap , Thanh-Tung Nguyen , Vijay Prakash Dwivedi , Stefan Winkler

Reasoning is an integral part of many tasks performed by language models (LMs). However, the effects of scaling model sizes and data on reasoning abilities at pretraining time remain understudied. To rigorously investigate this problem, we…

Artificial Intelligence · Computer Science 2025-09-30 Xinyi Wang , Shawn Tan , Shenbo Xu , Mingyu Jin , William Yang Wang , Rameswar Panda , Yikang Shen

The paper introduces a framework for the evaluation of the encoding of factual scientific knowledge, designed to streamline the manual evaluation process typically conducted by domain experts. Inferring over and extracting information from…

Computation and Language · Computer Science 2024-10-21 Magdalena Wysocka , Oskar Wysocki , Maxime Delmas , Vincent Mutel , Andre Freitas

Large Language Models (LLMs) have shown remarkable capabilities in reasoning, exemplified by the success of OpenAI-o1 and DeepSeek-R1. However, integrating reasoning with external search processes remains challenging, especially for complex…

Formal logic enables computers to reason in natural language by representing sentences in symbolic forms and applying rules to derive conclusions. However, in what our study characterizes as "rulebreaker" scenarios, this method can lead to…

Computation and Language · Computer Science 2025-08-18 Jason Chan , Robert Gaizauskas , Zhixue Zhao

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

Large Language Models (LLMs) are known to acquire reasoning capabilities through shared inference patterns in pre-training data, which are further elicited via Chain-of-Thought (CoT) practices. However, whether fundamental reasoning…

Computation and Language · Computer Science 2026-05-28 Xingwei Tan , Marco Valentino , Mahmud Elahi Akhter , Yuxiang Zhou , Maria Liakata , Nikolaos Aletras

Large language models (LLMs) have led to breakthroughs in language tasks, yet the internal mechanisms that enable their remarkable generalization and reasoning abilities remain opaque. This lack of transparency presents challenges such as…

Computation and Language · Computer Science 2024-04-17 Haiyan Zhao , Fan Yang , Bo Shen , Himabindu Lakkaraju , Mengnan Du

Large language models (LLMs) are increasingly evaluated on reasoning tasks, yet their logical abilities remain contested. To address this, we study LLMs' reasoning in a well-defined fragment of logic: syllogistic reasoning. We cast the…

Computation and Language · Computer Science 2026-01-27 Leonardo Bertolazzi , Manuel Vargas Guzmán , Raffaella Bernardi , Maciej Malicki , Jakub Szymanik

Large Language Models (LLMs) have been widely applied in various professional fields. By fine-tuning the models using domain specific question and answer datasets, the professional domain knowledge and Q\&A abilities of these models have…

Computation and Language · Computer Science 2024-07-17 Qimin Yang , Rongsheng Wang , Jiexin Chen , Runqi Su , Tao Tan

Molecule generation and optimization is a fundamental task in chemical domain. The rapid development of intelligent tools, especially large language models (LLMs) with powerful knowledge reserves and interactive capabilities, has provided…

Machine Learning · Computer Science 2026-02-10 Haoran Liu , Zheni Zeng , Yukun Yan , Yuxuan Chen , Yunduo Xiao

Doctors and patients alike increasingly use Large Language Models (LLMs) to diagnose clinical cases. However, unlike domains such as math or coding, where correctness can be objectively defined by the final answer, medical diagnosis…

Computation and Language · Computer Science 2025-05-21 Kevin Wu , Eric Wu , Rahul Thapa , Kevin Wei , Angela Zhang , Arvind Suresh , Jacqueline J. Tao , Min Woo Sun , Alejandro Lozano , James Zou

Large Language Models have been shown to contain extensive world knowledge in their parameters, enabling impressive performance on many knowledge intensive tasks. However, when deployed in novel settings, LLMs often encounter situations…

Artificial Intelligence · Computer Science 2026-02-05 Khurram Yamin , Gaurav Ghosal , Bryan Wilder

We have only limited understanding of how and why large language models (LLMs) respond in the ways that they do. Their neural networks have proven challenging to interpret, and we are only beginning to tease out the function of individual…

Computation and Language · Computer Science 2025-11-12 Dillon Plunkett , Adam Morris , Keerthi Reddy , Jorge Morales

The capabilities of large language models (LLMs) have expanded beyond natural language processing to scientific prediction tasks, including molecular property prediction. However, their effectiveness in in-context learning remains…

Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the…

Biomolecules · Quantitative Biology 2024-05-14 Xianggen Liu , Yan Guo , Haoran Li , Jin Liu , Shudong Huang , Bowen Ke , Jiancheng Lv