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Large Language Models (LLMs) have shown remarkable capabilities in code generation tasks, yet they face significant limitations in handling complex, long-context programming challenges and demonstrating complex compositional reasoning…

Artificial Intelligence · Computer Science 2025-01-14 Amr Almorsi , Mohanned Ahmed , Walid Gomaa

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

Tool-using large language model (LLM) agents are increasingly deployed in settings where their reliable behavior is governed by strict procedural manuals. Ensuring that such agents comply with the rules from these manuals is challenging, as…

Computation and Language · Computer Science 2026-05-08 Ashwani Anand , Ivi Chatzi , Ritam Raha , Anne-Kathrin Schmuck

Generating complex, logically-sound SPARQL queries for multi-hop questions remains a critical bottleneck for Knowledge Graph Question Answering, as the brittle nature of one-shot generation by Large Language Models (LLMs) hinders reliable…

Artificial Intelligence · Computer Science 2025-11-18 Floris Vossebeld , Shenghui Wang

Large language models (LLMs) have shown promise for automated patching, but their effectiveness depends strongly on how they are integrated into patching systems. While prior work explores prompting strategies and individual agent designs,…

Cryptography and Security · Computer Science 2026-03-03 Qingxiao Xu , Ze Sheng , Zhicheng Chen , Jeff Huang

Recent advances in large language models (LLMs) have increased the demand for comprehensive benchmarks to evaluate their capabilities as human-like agents. Existing benchmarks, while useful, often focus on specific application scenarios,…

We introduce LongDA, a data analysis benchmark for evaluating LLM-based agents under documentation-intensive analytical workflows. In contrast to existing benchmarks that assume well-specified schemas and inputs, LongDA targets real-world…

Digital Libraries · Computer Science 2026-01-13 Yiyang Li , Zheyuan Zhang , Tianyi Ma , Zehong Wang , Keerthiram Murugesan , Chuxu Zhang , Yanfang Ye

Recent advancements in generative Large Language Models(LLMs) have been remarkable, however, the quality of the text generated by these models often reveals persistent issues. Evaluating the quality of text generated by these models,…

Computation and Language · Computer Science 2024-04-16 Yu Li , Shenyu Zhang , Rui Wu , Xiutian Huang , Yongrui Chen , Wenhao Xu , Guilin Qi , Dehai Min

Large Language Model (LLM)-based code analysis tools are adopted to automate software documentation tasks. However, the scalability of these approaches to real codebases, where Intermediate Representations (IR) exceed LLM context limits,…

Software Engineering · Computer Science 2026-05-26 Alin-Gabriel Văduva , Anca-Ioana Andreescu , Simona-Vasilica Oprea , Adela Bâra

From disinformation spread by AI chatbots to AI recommendations that inadvertently reinforce stereotypes, textual bias poses a significant challenge to the trustworthiness of large language models (LLMs). In this paper, we propose a…

Computation and Language · Computer Science 2025-03-04 Tianyi Huang , Elsa Fan

Effectively configuring scalable large language model (LLM) experiments, spanning architecture design, hyperparameter tuning, and beyond, is crucial for advancing LLM research, as poor configuration choices can waste substantial…

Artificial Intelligence · Computer Science 2026-05-19 Taicheng Guo , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

In this work we explore the performance and behavior of reasoning large language models to autonomously optimize atomic layer deposition (ALD) processes. In the ALD process optimization task, an agent built on top of a reasoning LLM has to…

Materials Science · Physics 2026-01-16 Angel Yanguas-Gil

We present APT, an advanced Large Language Model (LLM)-driven framework that enables autonomous agents to construct complex and creative structures within the Minecraft environment. Unlike previous approaches that primarily concentrate on…

Machine Learning · Computer Science 2024-12-03 Jun Yu Chen , Tao Gao

Tool use has turned large language models (LLMs) into powerful agents that can perform complex multi-step tasks by dynamically utilising external software components. However, these tools must be implemented in advance by human developers,…

Computation and Language · Computer Science 2025-06-02 Georg Wölflein , Dyke Ferber , Daniel Truhn , Ognjen Arandjelović , Jakob Nikolas Kather

Humans are black boxes -- we cannot observe their neural processes, yet society functions by evaluating verifiable arguments. AI explainability should follow this principle: stakeholders need verifiable reasoning chains, not mechanistic…

Machine Learning · Computer Science 2025-10-07 Ege Cakar , Per Ola Kristensson

While Language Agents have achieved promising success by placing Large Language Models at the core of a more versatile design that dynamically interacts with the external world, the existing approaches neglect the notion of uncertainty…

Computation and Language · Computer Science 2024-05-31 Jiuzhou Han , Wray Buntine , Ehsan Shareghi

The rapidly evolving Node$.$js ecosystem currently includes millions of packages and is a critical part of modern software supply chains, making vulnerability detection of Node$.$js packages increasingly important. However, traditional…

Cryptography and Security · Computer Science 2026-04-23 Ronghao Ni , Mihai Christodorescu , Limin Jia

Molecule generation using generative AI is vital for drug discovery, yet class-specific datasets often contain fewer than 100 training examples. While fragment-based models handle limited data better than atom-based approaches, existing…

Artificial Intelligence · Computer Science 2025-11-27 Yuto Suzuki , Paul Awolade , Daniel V. LaBarbera , Farnoush Banaei-Kashani

As Large Language Models (LLMs) transition from standalone chat interfaces to foundational reasoning layers in multi-agent systems and recursive evaluation loops (LLM-as-a-judge), the detection of durable, provider-level behavioral…

Computation and Language · Computer Science 2026-02-20 Dusan Bosnjakovic

While Large Language Models (LLMs) have evolved into tool-using agents, they remain brittle in long-horizon interactions. Unlike mathematical reasoning where errors are often rectifiable via backtracking, tool-use failures frequently induce…

Artificial Intelligence · Computer Science 2026-03-17 Shengda Fan , Xuyan Ye , Yupeng Huo , Zhi-Yuan Chen , Yiju Guo , Shenzhi Yang , Wenkai Yang , Shuqi Ye , Jingwen Chen , Haotian Chen , Xin Cong , Yankai Lin