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While many researchers use Large Language Models (LLMs) through chat-based access, their real potential lies in leveraging LLMs via application programming interfaces (APIs). This paper conceptualizes LLMs as universal text processing…

Computation and Language · Computer Science 2026-03-23 Ivan Zupic

Large language models (LLMs) have achieved significant success in interacting with human. However, recent studies have revealed that these models often suffer from hallucinations, leading to overly confident but incorrect judgments. This…

Computation and Language · Computer Science 2023-09-06 Yusheng Liao , Yutong Meng , Hongcheng Liu , Yanfeng Wang , Yu Wang

While model serving has unlocked unprecedented capabilities, the high cost of serving large-scale models continues to be a significant barrier to widespread accessibility and rapid innovation. Compiler optimizations have long driven…

Machine Learning · Computer Science 2026-02-05 Annabelle Sujun Tang , Christopher Priebe , Rohan Mahapatra , Lianhui Qin , Hadi Esmaeilzadeh

This paper introduces a new hybrid framework that combines Reinforcement Learning (RL) and Large Language Models (LLMs) to improve robotic manipulation tasks. By utilizing RL for accurate low-level control and LLMs for high level task…

Robotics · Computer Science 2026-04-01 Md Saad , Sajjad Hussain , Mohd Suhaib

When applied directly in an end-to-end manner to medical follow-up tasks, Large Language Models (LLMs) often suffer from uncontrolled dialog flow and inaccurate information extraction due to the complexity of follow-up forms. To address…

Computation and Language · Computer Science 2025-12-23 Jinyan Liu , Zikang Chen , Qinchuan Wang , Tan Xie , Heming Zheng , Xudong Lv

Large Language Models (LLMs) offer promising capabilities for tackling complex reasoning tasks, including optimization problems. However, existing methods either rely on prompt engineering, which leads to poor generalization across problem…

Machine Learning · Computer Science 2025-10-23 Dong Li , Xujiang Zhao , Linlin Yu , Yanchi Liu , Wei Cheng , Zhengzhang Chen , Zhong Chen , Feng Chen , Chen Zhao , Haifeng Chen

This work evaluates the potential of large language models (LLMs) to power digital assistants capable of complex action execution. These assistants rely on pre-trained programming knowledge to execute multi-step goals by composing objects…

Large language model (LLM) agents integrate external tools with one or more LLMs to accomplish specific tasks. Agents have rapidly been adopted by developers, and they are starting to be deployed in industrial workflows, such as their use…

Software Engineering · Computer Science 2026-02-03 Sungmin Kang , Haifeng Ruan , Abhik Roychoudhury

Integration of artificial intelligence (AI) into life cycle assessment (LCA) has accelerated in recent years, with numerous studies successfully adapting machine learning algorithms to support various stages of LCA. Despite this rapid…

Artificial Intelligence · Computer Science 2026-02-27 Anastasija Mensikova , Donna M. Rizzo , Kathryn Hinkelman

Large language models (LLMs) have gained broad applications across various domains but still struggle with hallucinations. Currently, hallucinations occur frequently in the generation of factual content and pose a great challenge to…

Computation and Language · Computer Science 2025-12-01 Zouying Cao , Yifei Yang , XiaoJing Li , Hai Zhao

Agentic AI systems integrating large language models (LLMs) with reasoning and tooluse capabilities are transforming various domains - in particular, software development. In contrast, their application in chemical process flowsheet…

Artificial Intelligence · Computer Science 2026-03-16 Pascal Schäfer , Lukas J. Krinke , Martin Wlotzka , Norbert Asprion

Code LLMs have shown promising results with converting tasks in natural language to programs that can be executed by service robots. We are interested in finetuning small, specialized LLMs for this purpose, but collecting datasets of…

Computation and Language · Computer Science 2025-10-13 Zichao Hu , Junyi Jessy Li , Arjun Guha , Joydeep Biswas

The control of complex laboratory instrumentation often requires significant programming expertise, creating a barrier for researchers lacking computational skills. This work explores the potential of large language models (LLMs), such as…

Artificial Intelligence · Computer Science 2026-04-07 Yong Xie , Kexin He , Andres Castellanos-Gomez

Large Language Model (LLM)-based optimization has recently shown promise for autonomous problem solving, yet most approaches still cast LLMs as passive constraint checkers rather than proactive strategy designers, limiting their…

Artificial Intelligence · Computer Science 2026-04-06 Beidan Liu , Zhengqiu Zhu , Chen Gao , Tianle Pu , Yong Zhao , Wei Qi , Quanjun Yin

Existing LLM agents for computational materials science are constrained by pipeline-bounded architectures tied to specific simulation codes and by dependence on manually written tool functions that grow with task scope. We present MatClaw,…

Materials Science · Physics 2026-05-25 Chenmu Zhang , Boris I. Yakobson

We introduce Monte-Carlo Attention (MCA), a randomized approximation method for reducing the computational cost of self-attention mechanisms in Transformer architectures. MCA exploits the fact that the importance of each token in an input…

Machine Learning · Computer Science 2022-02-01 Hyunjun Kim , JeongGil Ko

Multimodal large language models (MLLMs) are flourishing, but mainly focus on images with less attention than videos, especially in sub-fields such as prompt engineering, video chain-of-thought (CoT), and instruction tuning on videos.…

Computer Vision and Pattern Recognition · Computer Science 2024-07-09 Yan Wang , Yawen Zeng , Jingsheng Zheng , Xiaofen Xing , Jin Xu , Xiangmin Xu

With recent advancements in natural language processing, Large Language Models (LLMs) have emerged as powerful tools for various real-world applications. Despite their prowess, the intrinsic generative abilities of LLMs may prove…

Artificial Intelligence · Computer Science 2025-12-30 Jingqing Ruan , Yihong Chen , Bin Zhang , Zhiwei Xu , Tianpeng Bao , Guoqing Du , Shiwei Shi , Hangyu Mao , Ziyue Li , Xingyu Zeng , Rui Zhao

The basic idea of fast Monte Carlo (MC) simulations is to perform particle-based MC simulations with the excluded-volume interactions modeled by "soft" repulsive potentials that allow particle overlapping. This gives much faster system…

Soft Condensed Matter · Physics 2012-01-24 Qiang Wang

Large Language Model (LLM) agents significantly extend the capabilities of standalone LLMs, empowering them to interact with external tools (e.g., APIs, functions) and complete various tasks in a self-directed fashion. The challenge of tool…

Artificial Intelligence · Computer Science 2024-02-19 Weizhou Shen , Chenliang Li , Hongzhan Chen , Ming Yan , Xiaojun Quan , Hehong Chen , Ji Zhang , Fei Huang