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We introduce a benchmark framework developed by and for the scientific community to evaluate, monitor and steer large language model development in fundamental physics. Building on philosophical concepts of scientific understanding and…

Data Analysis, Statistics and Probability · Physics 2025-07-30 Kristian G. Barman , Sascha Caron , Faegheh Hasibi , Eugene Shalugin , Yoris Marcet , Johannes Otte , Henk W. de Regt , Merijn Moody

Large Language Models (LLMs) have shown impressive performance in domains such as mathematics and programming, yet their capabilities in physics remain underexplored and poorly understood. Physics poses unique challenges that demand not…

Advancements in artificial intelligence for molecular science are necessitating a paradigm shift from purely data-driven predictions to knowledge-guided computational reasoning. Existing molecular models are predominantly proprietary,…

Machine Learning · Computer Science 2026-03-16 Pengfei Liu , Shuang Ge , Jun Tao , Zhixiang Ren

Deep learning, a branch of artificial intelligence, is a data-driven method that uses multiple layers of interconnected units or neurons to learn intricate patterns and representations directly from raw input data. Empowered by this…

Machine Learning · Computer Science 2025-07-28 Mohd Halim Mohd Noor , Ayokunle Olalekan Ige

Large Language Models (LLMs) are important tools for reasoning and problem-solving, while they often operate passively, answering questions without actively discovering new ones. This limitation reduces their ability to simulate human-like…

Computational Engineering, Finance, and Science · Computer Science 2025-09-26 Hong Su

Encoding and decoding models are widely used in systems, cognitive, and computational neuroscience to make sense of brain-activity data. However, the interpretation of their results requires care. Decoding models can help reveal whether…

Neurons and Cognition · Quantitative Biology 2019-04-29 Nikolaus Kriegeskorte , Pamela K. Douglas

Applied machine learning (ML) has rapidly spread throughout the physical sciences; in fact, ML-based data analysis and experimental decision-making has become commonplace. We suggest a shift in the conversation from proving that ML can be…

Materials Science · Physics 2021-12-21 Naohiro Fujinuma , Brian L. DeCost , Jason Hattrick-Simpers , Samuel E. Lofland

Fairness of machine learning models in healthcare has drawn increasing attention from clinicians, researchers, and even at the highest level of government. On the other hand, the importance of developing and deploying interpretable or…

Machine Learning · Computer Science 2024-09-04 Mary M. Lucas , Xiaoyang Wang , Chia-Hsuan Chang , Christopher C. Yang , Jacqueline E. Braughton , Quyen M. Ngo

The challenge of creating interpretable models has been taken up by two main research communities: ML researchers primarily focused on lower-level explainability methods that suit the needs of engineers, and HCI researchers who have more…

Machine Learning · Computer Science 2024-07-16 Juan D. Pinto , Luc Paquette

Reward modeling is essential for aligning large language models with human preferences through reinforcement learning. To provide accurate reward signals, a reward model (RM) should stimulate deep thinking and conduct interpretable…

Computation and Language · Computer Science 2026-03-09 Xiusi Chen , Gaotang Li , Ziqi Wang , Bowen Jin , Cheng Qian , Yu Wang , Hongru Wang , Yu Zhang , Denghui Zhang , Tong Zhang , Hanghang Tong , Heng Ji

Investigating students' thinking in classroom tasks, particularly in science and engineering, is essential for improving educational practices and advancing student learning. In this context, the notion of Ways of Thinking (WoT) has gained…

Background: Software modelling is a creative yet challenging task. Modellers often find themselves lost in the process, from understanding the modelling problem to solving it with proper modelling strategies and modelling tools. Students…

Software Engineering · Computer Science 2024-09-23 Shalini Chakraborty , Javier Troya , Lola Burgueño , Grischa Liebel

There is a growing need for investigating how machine learning models operate. With this work, we aim to understand trained machine learning models by questioning their data preferences. We propose a mathematical framework that allows us to…

Machine Learning · Computer Science 2025-12-22 Eren Mehmet Kıral , Nurşen Aydın , Ş. İlker Birbil

Pretrained large Language Models (LLMs) are able to answer questions that are unlikely to have been encountered during training. However a diversity of potential applications exist in the broad domain of reasoning systems and considerations…

Computation and Language · Computer Science 2024-11-27 Tim Hartill

Reasoning in large language models is predominantly evaluated through labeled benchmarks, conflating task performance with the quality of internal inference. Here we study reasoning as an intrinsic dynamical process by examining the…

Evaluating generative models, such as large language models (LLMs), commonly involves question-answering tasks where the final answer is selected based on probability of answer choices. On the other hand, for models requiring reasoning, the…

Computation and Language · Computer Science 2025-10-17 Hwiyeol Jo , Joosung Lee , Jaehone Lee , Sang-Woo Lee , Joonsuk Park , Kang Min Yoo

The notion of class is ubiquitous in computer science and is central in many formalisms for the representation of structured knowledge used both in knowledge representation and in databases. In this paper we study the basic issues…

Artificial Intelligence · Computer Science 2011-05-30 D. Calvanese , M. Lenzerini , D. Nardi

We review discourses about the philosophy of science in qualitative research and evidence from cognitive linguistics in order to ground a framework for discussing the use of Large Language Models (LLMs) to support the qualitative analysis…

Human-Computer Interaction · Computer Science 2024-07-17 James Eschrich , Sarah Sterman

We study how large language models (LLMs) ``think'' through their representation space. We propose a novel geometric framework that models an LLM's reasoning as flows -- embedding trajectories evolving where logic goes. We disentangle…

Artificial Intelligence · Computer Science 2026-03-05 Yufa Zhou , Yixiao Wang , Xunjian Yin , Shuyan Zhou , Anru R. Zhang

Despite their tremendous success in many applications, large language models often fall short of consistent reasoning and planning in various (language, embodied, and social) scenarios, due to inherent limitations in their inference,…

Artificial Intelligence · Computer Science 2023-12-11 Zhiting Hu , Tianmin Shu