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Open large language models (LLMs) have significantly advanced the field of natural language processing, showcasing impressive performance across various tasks.Despite the significant advancements in LLMs, their effective operation still…

Computation and Language · Computer Science 2025-04-16 Xuechen Liang , Yangfan He , Meiling Tao , Yinghui Xia , Jianhui Wang , Tianyu Shi , Jun Wang , JingSong Yang

In recent years, Large Language Models (LLMs) have made significant strides towards Artificial General Intelligence. However, training these models from scratch requires substantial computational resources and vast amounts of text data. In…

Computation and Language · Computer Science 2024-10-03 Wenzhen Zheng , Wenbo Pan , Xu Xu , Libo Qin , Li Yue , Ming Zhou

Strategic planning is critical for multi-step reasoning, yet compact Large Language Models (LLMs) often lack the capacity to formulate global strategies, leading to error propagation in long-horizon tasks. Our analysis reveals that LLMs…

Computation and Language · Computer Science 2026-04-15 Haoyu Zheng , Yun Zhu , Yuqian Yuan , Bo Yuan , Wenqiao Zhang , Siliang Tang , Jun Xiao

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate…

Soft Condensed Matter · Physics 2024-02-08 A. Ghafarollahi , M. J. Buehler

Recent advancements in Large Language Models (LLMs) have demonstrated exceptional capabilities in natural language understanding and generation. While these models excel in general complex reasoning tasks, they still face challenges in…

Artificial Intelligence · Computer Science 2024-10-25 Graziano A. Manduzio , Federico A. Galatolo , Mario G. C. A. Cimino , Enzo Pasquale Scilingo , Lorenzo Cominelli

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

Automatic performance tuning (auto-tuning) is essential for optimizing high-performance applications, where vast and irregular search spaces make manual exploration infeasible. While auto-tuners traditionally rely on classical approaches…

Machine Learning · Computer Science 2026-04-01 Floris-Jan Willemsen , Niki van Stein , Ben van Werkhoven

Experts in machine learning leverage domain knowledge to navigate decisions in model selection, hyperparameter optimization, and resource allocation. This is particularly critical for fine-tuning language models (LMs), where repeated trials…

Computation and Language · Computer Science 2025-10-07 Ernesto L. Estevanell-Valladares , Suilan Estevez-Velarde , Yoan Gutiérrez , Andrés Montoyo , Ruslan Mitkov

Large Language Models (LLMs) have demonstrated remarkable success in conversational systems by generating human-like responses. However, they can fall short, especially when required to account for personalization or specific knowledge. In…

Computation and Language · Computer Science 2025-11-12 Soyeong Jeong , Aparna Elangovan , Emine Yilmaz , Oleg Rokhlenko

Integrating Large Language Models (LLMs) into autonomous agents marks a significant shift in the research landscape by offering cognitive abilities that are competitive with human planning and reasoning. This paper explores the…

Software Engineering · Computer Science 2025-07-21 Junda He , Christoph Treude , David Lo

Inspired by the exceptional general intelligence of Large Language Models (LLMs), researchers have begun to explore their application in pioneering the next generation of recommender systems - systems that are conversational, explainable,…

Information Retrieval · Computer Science 2024-08-06 Wensheng Lu , Jianxun Lian , Wei Zhang , Guanghua Li , Mingyang Zhou , Hao Liao , Xing Xie

Large Language Models (LLMs) have demonstrated impressive performance across diverse domains, yet they still encounter challenges such as insufficient domain-specific knowledge, biases, and hallucinations. This underscores the need for…

Computation and Language · Computer Science 2025-04-07 Hongliu Cao , Ilias Driouich , Robin Singh , Eoin Thomas

Recently, decomposing complex problems into simple subtasks--a crucial part of human-like natural planning--to solve the given problem has significantly boosted the performance of large language models (LLMs). However, leveraging such…

Computation and Language · Computer Science 2025-07-11 Mihir Parmar , Palash Goyal , Xin Liu , Yiwen Song , Mingyang Ling , Chitta Baral , Hamid Palangi , Tomas Pfister

The emergence of Large Language Models (LLMs) has fundamentally transformed natural language processing, making them indispensable across domains ranging from conversational systems to scientific exploration. However, their pre-trained…

Designing optimization approaches, whether heuristic or meta-heuristic, usually demands extensive manual intervention and has difficulty generalizing across diverse problem domains. The combination of Large Language Models (LLMs) and…

Neural and Evolutionary Computing · Computer Science 2024-10-29 He Yu , Jing Liu

Automated planning is concerned with developing efficient algorithms to generate plans or sequences of actions to achieve a specific goal in a given environment. Emerging Large Language Models (LLMs) can answer questions, write high-quality…

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

Parameter-Efficient Fine-Tuning (PEFT) is a popular class of techniques that strive to adapt large models in a scalable and resource-efficient manner. Yet, the mechanisms underlying their training performance and generalization remain…

Machine Learning · Computer Science 2026-02-10 Zahra Rahimi Afzal , Tara Esmaeilbeig , Mojtaba Soltanalian , Mesrob I. Ohannessian

Large Language Models (LLMs) have shown remarkable ability in solving complex tasks, making them a promising tool for enhancing tabular learning. However, existing LLM-based methods suffer from high resource requirements, suboptimal…

Machine Learning · Computer Science 2025-05-12 Ruxue Shi , Hengrui Gu , Xu Shen , Xin Wang

Large Language Model (LLM) empowered agents have recently emerged as advanced paradigms that exhibit impressive capabilities in a wide range of domains and tasks. Despite their potential, current LLM agents often adopt a one-size-fits-all…