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Fine-tuning pre-trained large language models (LLMs) on a diverse array of tasks has become a common approach for building models that can solve various natural language processing (NLP) tasks. However, where and to what extent these models…

Computation and Language · Computer Science 2024-10-29 Zheng Zhao , Yftah Ziser , Shay B. Cohen

While Large Language Models (LLMs) have exhibited remarkable emergent capabilities through extensive pre-training, they still face critical limitations in generalizing to specialized domains and handling diverse linguistic variations, known…

Computation and Language · Computer Science 2025-05-28 Jinwu Hu , Zhitian Zhang , Guohao Chen , Xutao Wen , Chao Shuai , Wei Luo , Bin Xiao , Yuanqing Li , Mingkui Tan

Undeniably, Large Language Models (LLMs) have stirred an extraordinary wave of innovation in the machine learning research domain, resulting in substantial impact across diverse fields such as reinforcement learning, robotics, and computer…

Machine Learning · Computer Science 2024-05-10 Xingyou Song , Yingtao Tian , Robert Tjarko Lange , Chansoo Lee , Yujin Tang , Yutian Chen

Large Language Models are increasingly applied in the petroleum industry, highlighting the need for a domain-specific evaluation framework. This study develops a benchmark for LLMs in petroleum engineering, including a three-stage process…

Artificial Intelligence · Computer Science 2026-05-28 Xiang Wang , Tingting Zhang , Sen Wang , Ying Wu , Heng Meng , Peng Zhou , Peng Li

The observed similarities in the behavior of humans and Large Language Models (LLMs) have prompted researchers to consider the potential of using LLMs as models of human cognition. However, several significant challenges must be addressed…

Artificial Intelligence · Computer Science 2025-05-07 Jian-Qiao Zhu , Haijiang Yan , Thomas L. Griffiths

Large Language Models (LLMs) are often used as automated judges to evaluate text, but their effectiveness can be hindered by various unintentional biases. We propose using linear classifying probes, trained by leveraging differences between…

Computation and Language · Computer Science 2025-03-25 Sharan Maiya , Yinhong Liu , Ramit Debnath , Anna Korhonen

Large language models (LLMs) demonstrate remarkable breadth of knowledge, yet their ability to reason about computational processes remains poorly understood. Closing this gap matters for practitioners who rely on LLMs to guide algorithm…

Computation and Language · Computer Science 2026-04-07 Sohan Venkatesh , Ashish Mahendran Kurapath , Tejas Melkote

Parametric knowledge in large language models (LLMs) is a cornerstone of their success, yet remains poorly understood. Existing knowledge benchmarks typically rely on predefined questions (e.g., "What is the birth date of M.L. King?"),…

Computation and Language · Computer Science 2026-05-27 Luca Giordano , Simon Razniewski

The exploration-exploitation trade-off is central to sequential decision-making and black-box optimization, yet how Large Language Models (LLMs) reason about and manage this trade-off remains poorly understood. Unlike Bayesian Optimization,…

Machine Learning · Computer Science 2026-04-01 Andrea Carbonati , Mohammadsina Almasi , Hadis Anahideh

The recent development of Large Language Models (LLMs) has been accompanied by an effervescence of novel ideas and methods to better optimize the loss of deep learning models. Claims from those methods are myriad: from faster convergence to…

Machine Learning · Computer Science 2025-09-03 Andrei Semenov , Matteo Pagliardini , Martin Jaggi

We investigate how to teach large language models (LLMs) to perform scientific reasoning by leveraging expert discussions as a learning signal. Focusing on the genomics domain, we develop an automated pipeline to extract trainable data and…

Artificial Intelligence · Computer Science 2025-06-04 Ming Yin , Yuanhao Qu , Ling Yang , Le Cong , Mengdi Wang

Large Language Models (LLMs) have achieved remarkable success across diverse applications, yet their deployment remains challenging due to substantial computational costs, memory requirements, and energy consumption. Recent empirical…

Machine Learning · Computer Science 2026-03-24 Kaito Tanaka , Masato Ito , Yuji Nishimura , Keisuke Matsuda , Aya Nakayama

Large language models (LLMs) are increasingly used to predict human behavior. We propose a measure for evaluating how much knowledge a pretrained LLM brings to such a prediction: its equivalent sample size, defined as the amount of…

Econometrics · Economics 2026-01-21 Wayne Gao , Sukjin Han , Annie Liang

Machine learning has revolutionized polymer science by enabling rapid property prediction and generative design. Large language models (LLMs) offer further opportunities in polymer informatics by simplifying workflows that traditionally…

Computational Engineering, Finance, and Science · Computer Science 2026-02-20 Sonakshi Gupta , Akhlak Mahmood , Shivank Shukla , Rampi Ramprasad

Although large language models (LLMs) have shown promise in biomolecule optimization problems, they incur heavy computational costs and struggle to satisfy precise constraints. On the other hand, specialized solvers like LaMBO-2 offer…

Using AI to create autonomous researchers has the potential to accelerate scientific discovery. A prerequisite for this vision is understanding how well an AI model can identify the underlying structure of a black-box system from its…

Machine Learning · Computer Science 2025-05-26 Jiayi Geng , Howard Chen , Dilip Arumugam , Thomas L. Griffiths

In recent years, Large Language Models (LLMs) have achieved significant success in natural language processing (NLP) and various interdisciplinary areas. However, applying LLMs to chemistry is a complex task that requires specialized domain…

Machine Learning · Computer Science 2024-02-05 Chang Liao , Yemin Yu , Yu Mei , Ying Wei

Optimization algorithms and large language models (LLMs) enhance decision-making in dynamic environments by integrating artificial intelligence with traditional techniques. LLMs, with extensive domain knowledge, facilitate intelligent…

Neural and Evolutionary Computing · Computer Science 2024-05-17 Sen Huang , Kaixiang Yang , Sheng Qi , Rui Wang

Recent work exploring the capabilities of pre-trained large language models (LLMs) has demonstrated their ability to act as general pattern machines by completing complex token sequences representing a wide array of tasks, including…

Computers and Society · Computer Science 2024-03-25 Seyed Parsa Neshaei , Richard Lee Davis , Adam Hazimeh , Bojan Lazarevski , Pierre Dillenbourg , Tanja Käser

Drug repurposing is often framed as a candidate identification task, but existing approaches provide limited guidance for distinguishing biologically plausible candidates from historically well-connected ones. Here we introduce DrugKLM, a…

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