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Drug discovery is a complex, multi-step pipeline that remains heavily dependent on manual, experience-driven operations; meanwhile, existing customized artificial intelligence tools are fragmented across web applications, desktop software,…

Biomolecules · Quantitative Biology 2026-03-03 Qihua Pan , Dong Xu , Qianwei Yang , Jenna Xinyi Yao , Sisi Yuan , Zexuan Zhu , Jianqiang Li , Junkai Ji

Multi-agent large language model (LLM) systems are rapidly emerging as the dominant architecture for enterprise AI automation, yet production deployments exhibit failure rates between 41% and 86.7%, with nearly 79% of failures originating…

Artificial Intelligence · Computer Science 2026-04-21 Vivek Acharya

Graph database engines play a pivotal role in efficiently storing and managing graph data across various domains, including bioinformatics, knowledge graphs, and recommender systems. Ensuring data accuracy within graph database engines is…

Databases · Computer Science 2024-02-02 Jiayi Wu , Zhengyu Wu , Ronghua Li , Hongchao Qin , Guoren Wang

Code contains security and functional bugs. The process of identifying and localizing them is difficult and relies on human labor. In this work, we present a novel approach (FLAG) to assist human debuggers. FLAG is based on the lexical…

Cryptography and Security · Computer Science 2023-06-23 Baleegh Ahmad , Benjamin Tan , Ramesh Karri , Hammond Pearce

With the rapid evolution of Android applications, traditional machine learning-based detection models suffer from concept drift. Additionally, they are constrained by shallow features, lacking deep semantic understanding and…

Cryptography and Security · Computer Science 2026-04-29 Xueying Zeng , Youquan Xian , Sihao Liu , Xudong Mou , Yanze Li , Lei Cui , Bo Li

Prompting schemes such as Chain of Thought, Tree of Thoughts, and Graph of Thoughts can significantly enhance the reasoning capabilities of large language models. However, most existing schemes require users to define static,…

Artificial Intelligence · Computer Science 2026-02-19 Felix Fricke , Simon Malberg , Georg Groh

Current Large Language Models (LLMs), especially Large Reasoning Models, can generate Chain-of-Thought (CoT) reasoning traces to illustrate how they produce final outputs, thereby facilitating trust calibration for users. However, these CoT…

Human-Computer Interaction · Computer Science 2026-04-07 Shiwei Chen , Niruthikka Sritharan , Xiaolin Wen , Chenxi Zhang , Xingbo Wang , Yong Wang

Multi-agent systems powered by Large Language Models excel at complex tasks through coordinated collaboration, yet they face high failure rates in multi-turn deep search scenarios. Existing temporal attribution methods struggle to…

Graphics · Computer Science 2025-12-23 Heng Zhang , Yuling Shi , Xiaodong Gu , Haochen You , Zijian Zhang , Lubin Gan , Yilei Yuan , Jin Huang

The rapid advancement of Large Language Models (LLMs) presents new opportunities for automated software vulnerability detection, a crucial task in securing modern codebases. This paper presents a comparative study on the effectiveness of…

Software Engineering · Computer Science 2026-01-05 Md Hasan Saju , Maher Muhtadi , Akramul Azim

Despite continuous advancements in the capabilities of large language models (LLMs), numerical reasoning remains a challenging area. Techniques like chain-of-thought prompting, tree-of-thought prompting, and program-of-thought prompting…

Computational Engineering, Finance, and Science · Computer Science 2025-10-16 Subhendu Khatuya , Shashwat Naidu , Pawan Goyal , Niloy Ganguly

Large language model-specific inference engines (in short as \emph{LLM inference engines}) have become a fundamental component of modern AI infrastructure, enabling the deployment of LLM-powered applications (LLM apps) across cloud and…

Software Engineering · Computer Science 2026-01-12 Mugeng Liu , Siqi Zhong , Weichen Bi , Yixuan Zhang , Zhiyang Chen , Zhenpeng Chen , Xuanzhe Liu , Yun Ma

Large Language Models (LLMs) promise to accelerate discovery by reasoning across the expanding scientific landscape. Yet, the challenge is no longer access to information but connecting it in meaningful, domain-spanning ways. In materials…

Artificial Intelligence · Computer Science 2026-02-10 Isabella A. Stewart , Tarjei Paule Hage , Yu-Chuan Hsu , Markus J. Buehler

Functional correctness is critical for ensuring the reliability and security of network protocol implementations. Functional bugs, instances where implementations diverge from behaviors specified in RFC documents, can lead to severe…

Software Engineering · Computer Science 2025-10-07 Mingwei Zheng , Chengpeng Wang , Xuwei Liu , Jinyao Guo , Shiwei Feng , Xiangyu Zhang

Large Language Models (LLMs) have shown incredible potential in code generation tasks, and recent research in prompt engineering have enhanced LLMs' understanding of textual information. However, ensuring the accuracy of generated code…

Software Engineering · Computer Science 2024-10-04 Haolin Jin , Zechao Sun , Huaming Chen

Software process models are essential to facilitate collaboration and communication among software teams to solve complex development tasks. Inspired by these software engineering practices, we present FlowGen - a code generation framework…

Software Engineering · Computer Science 2024-11-01 Feng Lin , Dong Jae Kim , Tse-Husn , Chen

One of the most significant challenges in the field of software code auditing is the presence of vulnerabilities in software source code. Every year, more and more software flaws are discovered, either internally in proprietary code or…

Cryptography and Security · Computer Science 2023-06-16 Mst Shapna Akter , Hossain Shahriar , Juan Rodriguez Cardenas , Sheikh Iqbal Ahamed , Alfredo Cuzzocrea

Modern agentic frameworks (e.g., CrewAI and AutoGen) have evolved into complex, autonomous multi-agent systems, introducing unique reliability challenges beyond earlier pipeline-based LLM libraries. However, existing empirical studies focus…

Software Engineering · Computer Science 2026-04-13 Xiaowen Zhang , Hannuo Zhang , Shin Hwei Tan

Scene graphs have emerged as a structured and serializable environment representation for grounded spatial reasoning with Large Language Models (LLMs). In this work, we propose SG^2, an iterative Schema-Guided Scene-Graph reasoning…

Machine Learning · Computer Science 2025-08-12 Yiye Chen , Harpreet Sawhney , Nicholas Gydé , Yanan Jian , Jack Saunders , Patricio Vela , Ben Lundell

Vision-Language Models (VLMs) show promise for autonomous driving, yet their struggle with hallucinations, inefficient reasoning, and limited real-world validation hinders accurate perception and robust step-by-step reasoning. To overcome…

Large Language Models (LLMs) and their agent systems have recently demonstrated strong potential in automating code reasoning and vulnerability detection. However, when applied to large-scale firmware, their performance degrades due to the…

Cryptography and Security · Computer Science 2025-11-25 Xiangrui Zhang , Zeyu Chen , Haining Wang , Qiang Li