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The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges.…

Artificial Intelligence · Computer Science 2025-10-01 Gihan Panapitiya , Emily Saldanha , Heather Job , Olivia Hess

Large Language Models (LLMs) have emerged as a promising alternative to traditional static program analysis methods, such as symbolic execution, offering the ability to reason over code directly without relying on theorem provers or SMT…

Programming Languages · Computer Science 2025-09-22 Yihe Li , Ruijie Meng , Gregory J. Duck

LLMs can solve program synthesis tasks but remain inefficient and unreliable on hard instances requiring large combinatorial search. Given a small set of reasoning traces, we use coding agents to compile them into reusable symbolic program…

Computation and Language · Computer Science 2026-05-08 Atharva Naik , Yash Mathur , Prakam , Carolyn Rose , David Mortensen

Large language models (LLM) are perceived to offer promising potentials for automating security tasks, such as those found in security operation centers (SOCs). As a first step towards evaluating this perceived potential, we investigate the…

Cryptography and Security · Computer Science 2024-02-01 Kumar Shashwat , Francis Hahn , Xinming Ou , Dmitry Goldgof , Lawrence Hall , Jay Ligatti , S. Raj Rajgopalan , Armin Ziaie Tabari

Recent progress in Large Language Models (LLMs) has substantially advanced the automation of software engineering (SE) tasks, enabling complex activities such as code generation and code summarization. However, the black-box nature of LLMs…

Software Engineering · Computer Science 2025-12-24 Antonio Vitale , Khai-Nguyen Nguyen , Denys Poshyvanyk , Rocco Oliveto , Simone Scalabrino , Antonio Mastropaolo

Software development agents powered by large language models (LLMs) have shown great promise in automating tasks like environment setup, issue solving, and program repair. Unfortunately, understanding and debugging such agents remain…

Software Engineering · Computer Science 2026-02-09 Robert Hutter , Michael Pradel

Software issue resolution aims to address real-world issues in software repositories (e.g., bug fixing and efficiency optimization) based on natural language descriptions provided by users, representing a key aspect of software maintenance.…

Software Engineering · Computer Science 2025-12-30 Zhonghao Jiang , David Lo , Zhongxin Liu

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…

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

Large Language Models (LLMs) have demonstrated impressive capabilities, yet their deployment in high-stakes domains is hindered by inherent limitations in trustworthiness, including hallucinations, instability, and a lack of transparency.…

Computation and Language · Computer Science 2025-10-21 David Peer , Sebastian Stabinger

Large language models show promise as autonomous decision-making agents, yet their deployment in high-stakes domains remains fraught with risk. Without architectural safeguards, LLM agents exhibit catastrophic brittleness: identical…

Machine Learning · Computer Science 2025-10-29 Gokturk Aytug Akarlar

AI agents that leverage Large Language Models (LLMs) are increasingly becoming core building blocks of modern software systems. A wide range of frameworks is now available to support the specification of such applications. These frameworks…

Artificial Intelligence · Computer Science 2025-11-04 Fabiana Fournier , Lior Limonad , Yuval David

A wide range of real-world applications is characterized by their symbolic nature, necessitating a strong capability for symbolic reasoning. This paper investigates the potential application of Large Language Models (LLMs) as symbolic…

Computation and Language · Computer Science 2024-01-18 Meng Fang , Shilong Deng , Yudi Zhang , Zijing Shi , Ling Chen , Mykola Pechenizkiy , Jun Wang

Automatically generated code is gaining traction recently, owing to the prevalence of Large Language Models (LLMs). Further, the AlphaProof initiative has demonstrated the possibility of using AI for general mathematical reasoning.…

Software Engineering · Computer Science 2026-04-14 Haoxin Tu , Huan Zhao , Yahui Song , Mehtab Zafar , Ruijie Meng , Abhik Roychoudhury

Proof engineering is notoriously labor-intensive: proofs that are straightforward on paper often require lengthy scripts in theorem provers. Recent advances in large language models (LLMs) create new opportunities for proof automation:…

Programming Languages · Computer Science 2026-01-08 Yichen Xu , Martin Odersky

We introduce an autonomous multiagent framework for mechanistic interpretability that automates both explaining and finding internal features in large language models. The system runs two coupled loops: (1) explanation refinement, where an…

Computation and Language · Computer Science 2026-05-05 Arnau Marin-Llobet , Javier Ferrando

Large Language Model (LLM) Agents leverage the advanced reasoning capabilities of LLMs in real-world applications. To interface with an environment, these agents often rely on tools, such as web search or database APIs. As the agent…

Artificial Intelligence · Computer Science 2025-03-12 Ivan Milev , Mislav Balunović , Maximilian Baader , Martin Vechev

With the development of artificial intelligence (AI), large language models (LLM) are widely used in many fields. However, the reasoning ability of LLM is still very limited when it comes to mathematical reasoning. Mathematics plays an…

Computation and Language · Computer Science 2024-08-06 Wenbei Xie , Donglin Liu , Haoran Yan , Wenjie Wu , Zongyang Liu

The performance of large language models (LLMs) depends on how they are prompted, with choices spanning both the high-level prompting pattern (e.g., Zero-Shot, CoT, ReAct, ReWOO) and the specific prompt content (instructions and few-shot…

Machine Learning · Computer Science 2025-11-05 Claudio Spiess , Mandana Vaziri , Louis Mandel , Martin Hirzel

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.…

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