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Effectively configuring scalable large language model (LLM) experiments, spanning architecture design, hyperparameter tuning, and beyond, is crucial for advancing LLM research, as poor configuration choices can waste substantial…

Artificial Intelligence · Computer Science 2026-05-19 Taicheng Guo , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

Query expansion is a widely used technique to improve the recall of search systems. In this paper, we propose an approach to query expansion that leverages the generative abilities of Large Language Models (LLMs). Unlike traditional query…

Information Retrieval · Computer Science 2023-05-08 Rolf Jagerman , Honglei Zhuang , Zhen Qin , Xuanhui Wang , Michael Bendersky

Molecular optimization is a key challenge in drug discovery and material science domain, involving the design of molecules with desired properties. Existing methods focus predominantly on single-property optimization, necessitating…

Machine Learning · Computer Science 2024-09-13 Aye Phyu Phyu Aung , Jay Chaudhary , Ji Wei Yoon , Senthilnath Jayavelu

Large language models (LLMs) augmented with external tools are increasingly deployed as deep research agents that gather, reason over, and synthesize web information to answer complex queries. Although recent open-source systems achieve…

Artificial Intelligence · Computer Science 2026-02-24 Yi Wan , Jiuqi Wang , Liam Li , Jinsong Liu , Ruihao Zhu , Zheqing Zhu

Reasoning large language models (LLMs) excel in complex tasks, which has drawn significant attention to reinforcement learning (RL) for LLMs. However, existing approaches allocate an equal number of rollouts to all questions during the RL…

Machine Learning · Computer Science 2025-10-21 Mengqi Liao , Xiangyu Xi , Ruinian Chen , Jia Leng , Yangen Hu , Ke Zeng , Shuai Liu , Huaiyu Wan

Automatic prompt engineering aims to enhance the generation quality of large language models (LLMs). Recent works utilize feedbacks generated from erroneous cases to guide the prompt optimization. During inference, they may further retrieve…

Computation and Language · Computer Science 2025-05-28 Cilin Yan , Jingyun Wang , Lin Zhang , Ruihui Zhao , Xiaopu Wu , Kai Xiong , Qingsong Liu , Guoliang Kang , Yangyang Kang

Despite recent advancements, most computational methods for molecule optimization are constrained to single- or double-property optimization tasks and suffer from poor scalability and generalizability to novel optimization tasks. Meanwhile,…

Machine Learning · Computer Science 2025-05-28 Vishal Dey , Xiao Hu , Xia Ning

The transition from static Large Language Models (LLMs) to self-improving agents is hindered by the lack of structured reasoning in traditional evolutionary approaches. Existing methods often struggle with premature convergence and…

Artificial Intelligence · Computer Science 2026-01-01 Chunhui Wan , Xunan Dai , Zhuo Wang , Minglei Li , Yanpeng Wang , Yinan Mao , Yu Lan , Zhiwen Xiao

Processing long contexts is increasingly important for Large Language Models (LLMs) in tasks like multi-turn dialogues, code generation, and document summarization. This paper addresses the challenges of achieving high long-context…

Computation and Language · Computer Science 2026-04-15 Zihan Liao , Jun Wang , Hang Yu , Lingxiao Wei , Jianguo Li , Jun Wang , Wei Zhang

Optimizing scientific computing algorithms for modern GPUs is a labor-intensive and iterative process involving repeated code modification, benchmarking, and tuning across complex hardware and software stacks. Recent work has explored large…

Artificial Intelligence · Computer Science 2026-01-22 Leyi Zhao , Weijie Huang , Yitong Guo , Jiang Bian , Chenghong Wang , Xuhong Zhang

Modern quantitative trading increasingly relies on systematic models to extract predictive signals from large-scale financial data, where alpha factor discovery plays a central role in transforming market observations into tradable signals.…

Computational Engineering, Finance, and Science · Computer Science 2026-05-18 Lingzhe Zhang , Tong Jia , Yunpeng Zhai , Zixuan Xie , Chiming Duan , Minghua He , Philip S. Yu , Ying Li

Large Language Models (LLMs) have recently demonstrated impressive capabilities across various real-world applications. However, due to the current text-in-text-out paradigm, it remains challenging for LLMs to handle dynamic and complex…

Artificial Intelligence · Computer Science 2024-10-25 Timothy Wei , Annabelle Miin , Anastasia Miin

Compound AI systems that combine multiple LLM calls, such as self-refine and multi-agent-debate, achieve strong performance on many AI tasks. We address a core question in optimizing compound systems: for each LLM call or module in the…

Artificial Intelligence · Computer Science 2025-02-21 Lingjiao Chen , Jared Quincy Davis , Boris Hanin , Peter Bailis , Matei Zaharia , James Zou , Ion Stoica

Large Language Models (LLMs) have demonstrated impressive capability in many natural language tasks. However, the auto-regressive generation process makes LLMs prone to produce errors, hallucinations and inconsistent statements when…

Artificial Intelligence · Computer Science 2024-07-23 Chaojie Wang , Yanchen Deng , Zhiyi Lyu , Liang Zeng , Jujie He , Shuicheng Yan , Bo An

Large language models (LLMs) have become increasingly capable, but their development often requires substantial computational resources. While model merging has emerged as a cost-effective promising approach for creating new models by…

Neural and Evolutionary Computing · Computer Science 2025-01-28 Takuya Akiba , Makoto Shing , Yujin Tang , Qi Sun , David Ha

As Large Language Models (LLMs) are increasingly adopted in edge intelligence to power domain-specific applications and personalized services, the quality and efficiency of the LLM post-training phase-including fine-tuning and inference,…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-19 Shaoyuan Huang , Yunfeng Zhao , Na Yan , Tiancheng Zhang , Xiaokai Wang , Xiaofei Wang , Wenyu Wang , Yansha Deng

Since the advent of Large Language Models a few years ago, they have often been considered the de facto solution for many AI problems. However, in addition to the many deficiencies of LLMs that prevent them from broad industry adoption,…

Artificial Intelligence · Computer Science 2024-02-14 Jennifer Chu-Carroll , Andrew Beck , Greg Burnham , David OS Melville , David Nachman , A. Erdem Özcan , David Ferrucci

This report examines the fine-tuning of Large Language Models (LLMs), integrating theoretical insights with practical applications. It outlines the historical evolution of LLMs from traditional Natural Language Processing (NLP) models to…

Machine Learning · Computer Science 2024-10-31 Venkatesh Balavadhani Parthasarathy , Ahtsham Zafar , Aafaq Khan , Arsalan Shahid

This work presents an analytical framework for the design and analysis of LLM-based algorithms, i.e., algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of…

Machine Learning · Computer Science 2025-10-14 Yanxi Chen , Yaliang Li , Bolin Ding , Jingren Zhou

Test cases are essential for validating the reliability and quality of software applications. Recent studies have demonstrated the capability of Large Language Models (LLMs) to generate useful test cases for given source code. However, the…

Software Engineering · Computer Science 2025-01-03 Shuzheng Gao , Chaozheng Wang , Cuiyun Gao , Xiaoqian Jiao , Chun Yong Chong , Shan Gao , Michael Lyu