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Prompt Engineering has garnered significant attention for enhancing the performance of large language models across a multitude of tasks. Techniques such as the Chain-of-Thought not only bolster task performance but also delineate a clear…

Computation and Language · Computer Science 2024-10-21 Wei Jie Yeo , Ranjan Satapathy , Rick Siow Mong Goh , Erik Cambria

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

Agentic applications powered by Large Language Models exhibit non-deterministic behaviors that can form hidden execution cycles, silently consuming resources without triggering explicit errors. Traditional observability platforms fail to…

Computation and Language · Computer Science 2025-11-17 Felix George , Harshit Kumar , Divya Pathak , Kaustabha Ray , Mudit Verma , Pratibha Moogi

The paradigm of agentic science requires AI systems to conduct robust reasoning and engage in long-horizon, autonomous exploration. However, current scientific benchmarks remain confined to domain knowledge comprehension and complex…

Aim: With the advent of LLMs, sophisticated agentic program repair has become viable at large organizations with large codebases. In this work, we develop an Engineering Agent that fixes the source code based on test failures at scale…

Chain-of-Thought (CoT) reasoning enables Large Language Models (LLMs) to solve complex reasoning tasks by generating intermediate reasoning steps. However, most existing approaches focus on hard token decoding, which constrains reasoning…

Computation and Language · Computer Science 2025-05-28 Yige Xu , Xu Guo , Zhiwei Zeng , Chunyan Miao

As LLMs advance their reasoning capabilities about the physical world, the absence of rigorous benchmarks for evaluating their ability to generate scientifically valid physical models has become a critical gap. Computational mechanics,…

Machine Learning · Computer Science 2025-12-25 Saeed Mohammadzadeh , Erfan Hamdi , Joel Shor , Emma Lejeune

The union-find decoder is a leading algorithmic approach to the correction of quantum errors on the surface code, achieving code thresholds comparable to minimum-weight perfect matching (MWPM) with amortised computational time scaling…

Quantum Physics · Physics 2025-04-10 Sam J. Griffiths , Dan E. Browne

Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-performance materials. More recently, these workflows have been…

Artificial Intelligence · Computer Science 2024-12-16 Nathaniel H. Park , Tiffany J. Callahan , James L. Hedrick , Tim Erdmann , Sara Capponi

Traditional static analysis methods struggle to detect semantic design flaws, such as violations of the SOLID principles, which require a strong understanding of object-oriented design patterns and principles. Existing solutions typically…

Software Engineering · Computer Science 2025-09-04 Fatih Pehlivan , Arçin Ülkü Ergüzen , Sahand Moslemi Yengejeh , Mayasah Lami , Anil Koyuncu

The AI community has been exploring a pathway to artificial general intelligence (AGI) by developing "language agents", which are complex large language models (LLMs) pipelines involving both prompting techniques and tool usage methods.…

The introduction of advanced reasoning capabilities have improved the problem-solving performance of large language models, particularly on math and coding benchmarks. However, it remains unclear whether these reasoning models are more or…

Artificial Intelligence · Computer Science 2025-06-17 Arjun Krishna , Aaditya Rastogi , Erick Galinkin

Turning ideas into full software projects from scratch has become a popular use case for language models. Agents are being deployed to seed, maintain, and grow codebases over extended periods with minimal human oversight. Such settings…

Chain-of-thought prompting has demonstrated great success in facilitating the reasoning abilities of large language models. In this work, we explore how these enhanced reasoning abilities can be exploited to improve the robustness of large…

Computation and Language · Computer Science 2025-04-30 Wenxiao Wang , Parsa Hosseini , Soheil Feizi

This paper introduces a multi-agent framework guided by Large Language Models (LLMs) to assist in the early stages of engineering design, a phase often characterized by vast parameter spaces and inherent uncertainty. Operating under a…

Artificial Intelligence · Computer Science 2026-04-21 Varun Kumar , George Em Karniadakis

Neuroscience data are highly fragmented across labs, formats, and experimental paradigms, and reuse often requires substantial manual effort. A persistent roadblock to data reuse and integration is the need to decipher bespoke and diverse…

Machine Learning · Computer Science 2026-05-15 Ling-Qi Zhang , Kristin Branson

The evolution of Large Language Models (LLMs) into autonomous agents has expanded the scope of AI coding from localized code generation to complex, repository-level, and execution-driven problem solving. However, current benchmarks…

Software Engineering · Computer Science 2026-01-19 Jie Yang , Honglin Guo , Li Ji , Jiazheng Zhou , Rui Zheng , Zhikai Lei , Shuo Zhang , Zhiheng Xi , Shichun Liu , Yuxin Wang , Bo Wang , Yining Zheng , Tao Gui , Xipeng Qiu

Large language model (LLM) coding agents increasingly operate at the repository level, motivating benchmarks that evaluate their ability to optimize entire codebases under realistic constraints. Existing code benchmarks largely rely on…

Software Engineering · Computer Science 2026-05-18 Atharva Sehgal , James Hou , Akanksha Sarkar , Ishaan Mantripragada , Swarat Chaudhuri , Jennifer J. Sun , Yisong Yue

Chain-of-Thought (CoT) prompting has shown promise in enhancing the reasoning capabilities of large language models (LLMs) by generating natural language (NL) rationales that lead to the final answer. However, it struggles with numerical…

Artificial Intelligence · Computer Science 2025-02-13 Cheryl Li , Tianyuan Xu , Yiwen Guo

Large language models have revolutionized artificial intelligence by enabling large, generalizable models trained through self-supervision. This paradigm has inspired the development of scientific foundation models (FMs). However, applying…