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Clinical decision-making requires nuanced reasoning over heterogeneous evidence and traceable justifications. While recent LLM multi-agent systems (MAS) show promise, they largely optimise for outcome accuracy while overlooking…

Artificial Intelligence · Computer Science 2026-02-17 Chaeeun Lee , T. Michael Yates , Pasquale Minervini , T. Ian Simpson

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

Large Language Models (LLMs) have demonstrated effectiveness in code generation tasks. To enable LLMs to address more complex coding challenges, existing research has focused on crafting multi-agent systems with agentic workflows, where…

Software Engineering · Computer Science 2026-04-15 Siwei Liu , Jinyuan Fang , Han Zhou , Yingxu Wang , Zaiqiao Meng

The integration of tool use into large language models (LLMs) enables agentic systems with real-world impact. In the meantime, unlike standalone LLMs, compromised agents can execute malicious workflows with more consequential impact,…

Cryptography and Security · Computer Science 2025-02-17 Jizhou Chen , Samuel Lee Cong

Post-training compression reduces the computational and memory costs of large language models (LLMs), enabling resource-efficient deployment. However, existing compression benchmarks only focus on language modeling (e.g., perplexity) and…

Machine Learning · Computer Science 2025-06-03 Peijie Dong , Zhenheng Tang , Xiang Liu , Lujun Li , Xiaowen Chu , Bo Li

Large language models (LLMs) and their applications, such as agents, are highly vulnerable to prompt injection attacks. State-of-the-art prompt injection detection methods have the following limitations: (1) their effectiveness degrades…

Cryptography and Security · Computer Science 2026-04-02 Yanting Wang , Wei Zou , Runpeng Geng , Jinyuan Jia

This paper introduces a framework that integrates reinforcement learning (RL) with autonomous agents to enable continuous improvement in the automated process of software test cases authoring from business requirement documents within…

Software Engineering · Computer Science 2025-12-09 Mohanakrishnan Hariharan

LLM-based coding agents can generate functionally correct GPU kernels, yet their performance remains far below hand-optimized libraries on critical computations such as matrix multiplication, attention, and Mixture-of-Experts (MoE). Peak…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-22 Haohui Mai , Xiaoyan Guo , Xiangyun Ding , Daifeng Li , Qiuchu Yu , Chenzhun Guo , Cong Wang , Jiacheng Zhao , Christos Kozyrakis , Binhang Yuan

Therapeutic development is a costly and high-risk endeavor that is often plagued by high failure rates. To address this, we introduce TxGemma, a suite of efficient, generalist large language models (LLMs) capable of therapeutic property…

Artificial Intelligence · Computer Science 2025-04-09 Eric Wang , Samuel Schmidgall , Paul F. Jaeger , Fan Zhang , Rory Pilgrim , Yossi Matias , Joelle Barral , David Fleet , Shekoofeh Azizi

Code Search is a key task that many programmers often have to perform while developing solutions to problems. Current methodologies suffer from an inability to perform accurately on prompts that contain some ambiguity or ones that require…

Software Engineering · Computer Science 2024-08-22 Sarthak Jain , Aditya Dora , Ka Seng Sam , Prabhat Singh

Large language model (LLM) agents are moving beyond prompting alone. ChatGPT marked the rise of general-purpose LLM assistants, DeepSeek showed that on-policy reinforcement learning with verifiable rewards can improve reasoning and tool…

Systematic literature reviews are essential for synthesizing scientific evidence but are costly, difficult to scale and time-intensive, creating bottlenecks for evidence-based policy. We study whether large language models can automate the…

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…

Applying reinforcement learning (RL) to real-world tasks requires converting informal descriptions into a formal Markov decision process (MDP), implementing an executable environment, and training a policy agent. Automating this process is…

Artificial Intelligence · Computer Science 2025-12-15 Hong Je-Gal , Chan-Bin Yi , Hyun-Suk Lee

Rapidly evolving cyberattacks demand incident response systems that can autonomously learn and adapt to changing threats. Prior work has extensively explored the reinforcement learning approach, which involves learning response strategies…

Cryptography and Security · Computer Science 2026-04-16 Yiran Gao , Kim Hammar , Tao Li

Automated program repair has traditionally focused on single-hunk defects, overlooking multi-hunk bugs that are prevalent in real-world systems. Repairing these bugs requires coordinated edits across multiple, disjoint code regions, posing…

Software Engineering · Computer Science 2025-11-17 Noor Nashid , Daniel Ding , Keheliya Gallaba , Ahmed E. Hassan , Ali Mesbah

Motivated by the challenge to improve the adversarial robustness, security, and trust of medical decision making intelligent agents, this study develops a full-link security enhancement framework, which describes "input risk perception -…

Cryptography and Security · Computer Science 2026-05-12 Saisai Hu

Large language model (LLM) agents have emerged as a promising solution to automate the workflow of machine learning, but most existing methods share a common limitation: they attempt to optimize entire pipelines in a single step before…

Computer Vision and Pattern Recognition · Computer Science 2025-09-17 Eric Xue , Ke Chen , Zeyi Huang , Yuyang Ji , Haohan Wang

Recently, the impressive performance of large language models (LLMs) on a wide range of tasks has attracted an increasing number of attempts to apply LLMs in drug discovery. However, molecule optimization, a critical task in the drug…

Quantitative Methods · Quantitative Biology 2024-01-22 Geyan Ye , Xibao Cai , Houtim Lai , Xing Wang , Junhong Huang , Longyue Wang , Wei Liu , Xiangxiang Zeng

Large Language Models (LLMs) have shown remarkable performance in completing various tasks. However, solving complex problems often requires the coordination of multiple agents, raising a fundamental question: how to effectively select and…

Computation and Language · Computer Science 2026-04-02 Eric Hanchen Jiang , Levina Li , Rui Sun , Xiao Liang , Yubei Li , Yuchen Wu , Haozheng Luo , Hengli Li , Zhi Zhang , Zhaolu Kang , Kai-Wei Chang , Ying Nian Wu