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Structural modeling is a fundamental component of computational engineering science, in which even minor physical inconsistencies or specification violations may invalidate downstream simulations. The potential of large language models…

Software Engineering · Computer Science 2026-02-10 Yongqing Jiang , Jianze Wang , Zhiqi Shen , Zhenghong Lin , Jiayuan Wang , Yijian Yang , Kaoshan Dai , Haoran Luo

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

Solving complex real-world tasks requires cycles of actions and observations. This is particularly true in science, where tasks require many cycles of analysis, tool use, and experimentation. Language agents are promising for automating…

Scientific software relies on high-precision computation, yet finite floating-point representations can introduce precision errors that propagate in safety-critical domains. Despite the growing use of large language models (LLMs) in…

Software Engineering · Computer Science 2026-04-10 Tien Nguyen , Kirshanthan Sundararajah , Muhammad Ali Gulzar

Large Language Models (LLMs) often struggle with complex mathematical reasoning, where prose-based generation leads to unverified and arithmetically unsound solutions. Current prompting strategies like Chain of Thought still operate within…

Computation and Language · Computer Science 2026-01-27 Sina Bagheri Nezhad , Yao Li , Ameeta Agrawal

With the rapid development of Large Language Models (LLMs), AI agents have demonstrated increasing proficiency in scientific tasks, ranging from hypothesis generation and experimental design to manuscript writing. Such agent systems are…

PDEs are central to scientific and engineering modeling, yet designing accurate numerical solvers typically requires substantial mathematical expertise and manual tuning. Recent neural network-based approaches improve flexibility but often…

Artificial Intelligence · Computer Science 2026-02-20 Jianda Du , Youran Sun , Haizhao Yang

We address the problem of translating informal mathematical proofs expressed in natural language into formal proofs in Lean4 under a constrained computational budget. Our approach is grounded in two key insights. First, informal proofs tend…

Logic in Computer Science · Computer Science 2025-12-15 Ziyu Wang , Bowen Yang , Chenyi Li , Yuan Zhang , Shihao Zhou , Bin Dong , Zaiwen Wen

Scientific Large Language Models (Sci-LLMs) have emerged as a promising frontier for accelerating biological discovery. However, these models face a fundamental challenge when processing raw biomolecular sequences: the tokenization dilemma.…

Translating natural language into formal language such as First-Order Logic (FOL) is a foundational challenge in NLP with wide-ranging applications in automated reasoning, misinformation tracking, and knowledge validation. In this paper, we…

Computation and Language · Computer Science 2025-03-07 Abhinav Lalwani , Tasha Kim , Lovish Chopra , Christopher Hahn , Zhijing Jin , Mrinmaya Sachan

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

Translating natural language mathematical statements into formal, executable code is a fundamental challenge in automated theorem proving. While prior work has focused on generation and compilation success, little attention has been paid to…

Personalised education is one of the domains that can greatly benefit from the most recent advances in Artificial Intelligence (AI) and Large Language Models (LLM). However, it is also one of the most challenging applications due to the…

Computers and Society · Computer Science 2025-02-18 Sahan Bulathwela , Daniel Van Niekerk , Jarrod Shipton , Maria Perez-Ortiz , Benjamin Rosman , John Shawe-Taylor

Large language models are emerging as scientific assistants, but evaluating their ability to reason from empirical data remains challenging. Benchmarks derived from published studies and human annotations inherit publication bias,…

Computation and Language · Computer Science 2026-04-16 Oliver Bentham , Vivek Srikumar

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…

Large language models (LLMs) can generate executable code from natural language descriptions, but the resulting programs frequently contain bugs due to hallucinations. In the absence of formal specifications, existing approaches attempt to…

Software Engineering · Computer Science 2026-03-31 Yihan Dai , Sijie Liang , Haotian Xu , Peichu Xie , Sergey Mechtaev

The deployment of autonomous agents for Computational Fluid Dynamics (CFD), is critically limited by the probabilistic nature of Large Language Models (LLMs), which struggle to enforce the strict conservation laws and numerical stability…

Artificial Intelligence · Computer Science 2026-02-13 E Fan , Lisong Shi , Zhengtong Li , Chih-yung Wen

Formal Methods are mathematically-based techniques for software design and engineering, which enable the unambiguous description of and reasoning about a system's behaviour. Autonomous systems use software to make decisions without human…

Software Engineering · Computer Science 2021-07-29 Matt Luckcuck

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

Large Language Models (LLMs) have recently emerged as powerful tools for autoformalization. Despite their impressive performance, these models can still struggle to produce grounded and verifiable formalizations. Recent work in text-to-SQL,…

Computation and Language · Computer Science 2025-12-05 Hayden Moore , Asfahan Shah