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Optimization problems are pervasive in sectors from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers because the expertise…

Artificial Intelligence · Computer Science 2025-08-29 Ali AhmadiTeshnizi , Wenzhi Gao , Herman Brunborg , Shayan Talaei , Connor Lawless , Madeleine Udell

Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully…

Machine Learning · Computer Science 2025-10-29 Robert MacKnight , Jose Emilio Regio , Jeffrey G. Ethier , Luke A. Baldwin , Gabe Gomes

Large Language Models (LLMs) have demonstrated remarkable capabilities across various domains and are moving towards more specialized areas. Recent advanced proprietary models such as GPT-4 and Gemini have achieved significant advancements…

Computation and Language · Computer Science 2024-10-30 Kaiyan Zhang , Sihang Zeng , Ermo Hua , Ning Ding , Zhang-Ren Chen , Zhiyuan Ma , Haoxin Li , Ganqu Cui , Biqing Qi , Xuekai Zhu , Xingtai Lv , Hu Jinfang , Zhiyuan Liu , Bowen Zhou

The rapid evolution of Large Language Models (LLMs) has shifted focus from general-purpose capabilities to domain-specific expertise. However, adapting LLMs to specialized fields such as medicine presents two challenge: (1) the…

Machine Learning · Computer Science 2026-01-14 Yuxin Yang , Aoxiong Zeng , Xiangquan Yang

Recent alignment work on Large Language Models (LLMs) suggests preference optimization can improve reasoning by shifting probability mass toward better solutions. We test this claim in a resource-constrained setting by applying GRPO with…

Machine Learning · Computer Science 2026-04-09 Suraj Yadav , Siddharth Yadav , Parth Goyal

We introduce a comprehensive Linguistic Benchmark designed to evaluate the limitations of Large Language Models (LLMs) in domains such as logical reasoning, spatial intelligence, and linguistic understanding, among others. Through a series…

Artificial Intelligence · Computer Science 2024-06-04 Sean Williams , James Huckle

There is a significant potential for coding skills to transition fully to natural language in the future. In this context, large language models (LLMs) have shown impressive natural language processing abilities to generate sophisticated…

Materials Science · Physics 2024-06-25 Prathamesh Satpute , Saurabh Tiwari , Maneet Gupta , Supriyo Ghosh

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and…

Computation and Language · Computer Science 2025-10-28 Zonglin Yang , Wanhao Liu , Ben Gao , Yujie Liu , Wei Li , Tong Xie , Lidong Bing , Wanli Ouyang , Erik Cambria , Dongzhan Zhou

While large language models (LLMs) are increasingly deployed as dense retrievers, the impact of their domain-specific specialization on retrieval effectiveness remains underexplored. This investigation systematically examines how…

Information Retrieval · Computer Science 2025-08-07 Hengran Zhang , Keping Bi , Jiafeng Guo

Optimization modeling plays a critical role in the application of Operations Research (OR) tools to address real-world problems, yet they pose challenges and require extensive expertise from OR experts. With the advent of large language…

Computation and Language · Computer Science 2025-07-30 Chenyu Huang , Zhengyang Tang , Shixi Hu , Ruoqing Jiang , Xin Zheng , Dongdong Ge , Benyou Wang , Zizhuo Wang

Weight binarization has emerged as a promising strategy to reduce the complexity of large language models (LLMs). Existing approaches fall into post-training binarization, which is simple but causes severe performance loss, and…

Machine Learning · Statistics 2026-04-22 Ba-Hien Tran , Van Minh Nguyen

Algorithm selection, a critical process of automated machine learning, aims to identify the most suitable algorithm for solving a specific problem prior to execution. Mainstream algorithm selection techniques heavily rely on problem…

Machine Learning · Computer Science 2024-05-17 Xingyu Wu , Yan Zhong , Jibin Wu , Bingbing Jiang , Kay Chen Tan

Tumor documentation in Germany is largely done manually, requiring reading patient records and entering data into structured databases. Large language models (LLMs) could potentially enhance this process by improving efficiency and…

Computation and Language · Computer Science 2025-08-08 Stefan Lenz , Arsenij Ustjanzew , Marco Jeray , Meike Ressing , Torsten Panholzer

The performance of large language models (LLMs) on existing reasoning benchmarks has significantly improved over the past years. In response, we present JEEBench, a considerably more challenging benchmark dataset for evaluating the problem…

Computation and Language · Computer Science 2023-10-24 Daman Arora , Himanshu Gaurav Singh , Mausam

We introduce LAMPO, a novel paradigm that leverages Large Language Models (LLMs) for solving few-shot multi-class ordinal classification tasks. Unlike conventional methods, which concatenate all demonstration examples with the test instance…

Machine Learning · Computer Science 2024-08-08 Zhen Qin , Junru Wu , Jiaming Shen , Tianqi Liu , Xuanhui Wang

Large Language Models (LLMs) demonstrate strong generalization and reasoning abilities, making them well-suited for complex decision-making tasks such as medical consultation (MC). However, existing LLM-based methods often fail to capture…

Computation and Language · Computer Science 2025-10-13 Zhihao Jia , Mingyi Jia , Junwen Duan , Jianxin Wang

Large Language Models (LLMs) still struggle with complex logical reasoning. While previous works achieve remarkable improvements, their performance is highly dependent on the correctness of translating natural language (NL) problems into a…

Artificial Intelligence · Computer Science 2025-10-14 Xiangyu Wang , Haocheng Yang , Fengxiang Cheng , Fenrong Liu

Mixture-of-Experts (MoE) models enable efficient scaling of large language models (LLMs) by activating only a subset of experts per input. However, we observe that the commonly used auxiliary load balancing loss often leads to expert…

Computation and Language · Computer Science 2026-01-27 Hongcan Guo , Haolang Lu , Guoshun Nan , Bolun Chu , Jialin Zhuang , Yuan Yang , Wenhao Che , Xinye Cao , Sicong Leng , Qimei Cui , Xudong Jiang

This paper provides a survey of the emerging area of Large Language Models (LLMs) for Software Engineering (SE). It also sets out open research challenges for the application of LLMs to technical problems faced by software engineers. LLMs'…

Software Engineering · Computer Science 2023-11-14 Angela Fan , Beliz Gokkaya , Mark Harman , Mitya Lyubarskiy , Shubho Sengupta , Shin Yoo , Jie M. Zhang

Various methods for robot design optimization have been developed so far. These methods are diverse, ranging from numerical optimization to black-box optimization. While numerical optimization is fast, it is not suitable for cases involving…

Robotics · Computer Science 2026-02-19 Kento Kawaharazuka , Yoshiki Obinata , Naoaki Kanazawa , Haoyu Jia , Kei Okada
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