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Reinforcement learning (RL) has demonstrated potential in enhancing the reasoning capabilities of large language models (LLMs), but such training typically demands substantial efforts in creating and annotating data. In this work, we…

Computation and Language · Computer Science 2025-10-06 Hangfan Zhang , Siyuan Xu , Zhimeng Guo , Huaisheng Zhu , Shicheng Liu , Xinrun Wang , Qiaosheng Zhang , Yang Chen , Peng Ye , Lei Bai , Shuyue Hu

Large Language Models (LLMs) have demonstrated strong capabilities in general-purpose code generation. However, generating the code which is deeply hardware-specific, architecture-aware, and performance-critical, especially for massively…

Machine Learning · Computer Science 2025-06-12 Wentao Chen , Jiace Zhu , Qi Fan , Yehan Ma , An Zou

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

Despite their success in many domains, large language models (LLMs) remain under-studied in scenarios requiring optimal decision-making under uncertainty. This is crucial as many real-world applications, ranging from personalized…

Machine Learning · Computer Science 2025-07-15 Allen Nie , Yi Su , Bo Chang , Jonathan N. Lee , Ed H. Chi , Quoc V. Le , Minmin Chen

Large Language Models (LLMs) are widely adopted for assisting in software development tasks, yet their performance evaluations have narrowly focused on the functional correctness of generated code. Human programmers, however, require…

Software Engineering · Computer Science 2024-12-06 Yun Peng , Akhilesh Deepak Gotmare , Michael Lyu , Caiming Xiong , Silvio Savarese , Doyen Sahoo

Code data in large language model (LLM) pretraining is recognized crucial not only for code-related tasks but also for enhancing general intelligence of LLMs. Current open-source LLMs often heavily rely on human effort to produce their code…

Large Language Models (LLMs) have transformed code auto-completion by generating context-aware suggestions. Yet, deciding when to present these suggestions remains underexplored, often leading to interruptions or wasted inference calls. We…

Software Engineering · Computer Science 2026-02-10 Mohammad Nour Al Awad , Sergey Ivanov , Olga Tikhonova

Large Language Models (LLMs) have been achieving competent performance on a wide range of downstream tasks, yet existing work shows that inference on structured data is challenging for LLMs. This is because LLMs need to either understand…

Computation and Language · Computer Science 2024-07-04 Younghun Lee , Sungchul Kim , Ryan A. Rossi , Tong Yu , Xiang Chen

Large Language Models (LLMs), particularly Code LLMs, have demonstrated impressive performance in code generation. Current research primarily focuses on the correctness of generated code, while efficiency remains less explored. Recent works…

Software Engineering · Computer Science 2025-02-27 Tong Ye , Weigang Huang , Xuhong Zhang , Tengfei Ma , Peiyu Liu , Jianwei Yin , Wenhai Wang

Causal structure discovery from observations can be improved by integrating background knowledge provided by an expert to reduce the hypothesis space. Recently, Large Language Models (LLMs) have begun to be considered as sources of prior…

Machine Learning · Computer Science 2024-05-24 Victor-Alexandru Darvariu , Stephen Hailes , Mirco Musolesi

This research investigates the application of Large Language Models (LLMs) to augment conversational agents in process mining, aiming to tackle its inherent complexity and diverse skill requirements. While LLM advancements present novel…

Artificial Intelligence · Computer Science 2023-07-20 Urszula Jessen , Michal Sroka , Dirk Fahland

Large Language Models (LLMs), originally developed for natural language processing (NLP), have demonstrated the potential to generalize across modalities and domains. With their in-context learning (ICL) capabilities, LLMs can perform…

Artificial Intelligence · Computer Science 2025-08-26 Nikolaos Pavlidis , Vasilis Perifanis , Symeon Symeonidis , Pavlos S. Efraimidis

Large language models (LLMs) demonstrate exceptional instruct-following ability to complete various downstream tasks. Although this impressive ability makes LLMs flexible task solvers, their performance in solving tasks also heavily relies…

Computation and Language · Computer Science 2024-06-03 Pengwei Zhan , Zhen Xu , Qian Tan , Jie Song , Ru Xie

Recent work has demonstrated the promise of orchestrating large language models (LLMs) within evolutionary and agentic optimization systems. However, the mechanisms driving these optimization gains remain poorly understood. In this work, we…

Computation and Language · Computer Science 2026-04-22 Xinhao Zhang , Xi Chen , François Portet , Maxime Peyrard

Reinforcement Learning (RL) agents often struggle in sparse-reward environments where traditional exploration strategies fail to discover effective action sequences. Large Language Models (LLMs) possess procedural knowledge and reasoning…

Machine Learning · Computer Science 2025-10-13 Vaibhav Jain , Gerrit Grossmann

Fine-tuned Large Language Models (LLMs) often demonstrate poor calibration, with their confidence scores misaligned with actual performance. While calibration has been extensively studied in models trained from scratch, the impact of LLMs'…

Computation and Language · Computer Science 2025-05-28 Ziming Wang , Zeyu Shi , Haoyi Zhou , Shiqi Gao , Qingyun Sun , Jianxin Li

Developers deal with code-change-related tasks daily, e.g., reviewing code. Pre-trained code and code-change-oriented models have been adapted to help developers with such tasks. Recently, large language models (LLMs) have shown their…

Software Engineering · Computer Science 2024-07-04 Lishui Fan , Jiakun Liu , Zhongxin Liu , David Lo , Xin Xia , Shanping Li

Black-box Large Language Models (LLMs) provide practical and accessible alternatives to other machine learning methods, as they require minimal labeled data and machine learning expertise to develop solutions for various decision making…

Machine Learning · Computer Science 2025-10-22 Ege Beyazit , KL Navaneet , Prashant Mathur , Roi Blanco , Vidit Bansal , Karim Bouyarmane

With the rapid development of Large Language Models (LLMs), LLM-based agents have been widely adopted in various fields, becoming essential for autonomous decision-making and interactive tasks. However, current work typically relies on…

Artificial Intelligence · Computer Science 2026-02-25 Shangheng Du , Jiabao Zhao , Jinxin Shi , Zhentao Xie , Xin Jiang , Yanhong Bai , Liang He

When output token counts can be predicted at submission time (Gan et al., 2026), client-side scheduling against a black-box LLM API becomes semi-clairvoyant: decisions condition on coarse token priors even though the provider's internals…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-09 Renzhong Yuan , Yijun Zeng , Xiaosong Gao , Linxi Yu , Haochun Liao , Han Wang
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