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Large language models (LLMs) have shown remarkable performance on various tasks, but existing evaluation benchmarks are often static and insufficient to fully assess their robustness and generalization in realistic scenarios. Prior work…

Computation and Language · Computer Science 2025-07-01 JiaRu Wu , Mingwei Liu

Scientific algorithm discovery is iterative: hypotheses are proposed, implemented, stress-tested, and revised. Current LLM-guided search systems accelerate proposal generation, but often under-represent scientific structure by optimizing…

Machine Learning · Computer Science 2026-04-02 Youssef Mroueh , Carlos Fonseca , Brian Belgodere , David Cox

Vision-Language Models (VLMs) have recently shown promising advancements in sequential decision-making tasks through task-specific fine-tuning. However, common fine-tuning methods, such as Supervised Fine-Tuning (SFT) and Reinforcement…

Computation and Language · Computer Science 2025-03-26 Haoqiang Kang , Enna Sachdeva , Piyush Gupta , Sangjae Bae , Kwonjoon Lee

CUDA kernel optimization has become a critical bottleneck for AI performance, as deep learning training and inference efficiency directly depends on highly optimized GPU kernels. Despite the promise of Large Language Models (LLMs) for…

Machine Learning · Computer Science 2025-10-07 Ping Guo , Chenyu Zhu , Siyuan Chen , Fei Liu , Xi Lin , Zhichao Lu , Qingfu Zhang

Phylogenetics is a fundamental component of evolutionary analysis frameworks in biology and linguistics. Recently, the advent of large-scale genomics and the SARS-CoV-2 pandemic has highlighted the necessity for phylogenetic software to…

Large language models (LLMs) have shown impressive performance in general programming tasks. However, in Machine Learning Engineering (MLE) scenarios such as AutoML and Kaggle competitions, achieving high performance depends heavily on…

Artificial Intelligence · Computer Science 2025-10-10 Shangheng Du , Xiangchao Yan , Dengyang Jiang , Jiakang Yuan , Yusong Hu , Xin Li , Liang He , Bo Zhang , Lei Bai

Meta-black-box optimization has been significantly advanced through the use of large language models (LLMs), yet in fancy on constrained evolutionary optimization. In this work, AwesomeDE is proposed that leverages LLMs as the strategy of…

Neural and Evolutionary Computing · Computer Science 2026-03-11 Xu Yang , Rui Wang , Kaiwen Li , Wenhua Li , Weixiong Huang

Designing functional transition metal complexes (TMCs) faces challenges due to the vast search space of metals and ligands, requiring efficient optimization strategies. Traditional genetic algorithms (GAs) are commonly used, employing…

Chemical Physics · Physics 2024-10-25 Jieyu Lu , Zhangde Song , Qiyuan Zhao , Yuanqi Du , Yirui Cao , Haojun Jia , Chenru Duan

Optimization modeling underlies critical decision-making across industries, yet remains difficult to automate: natural-language problem descriptions must be translated into precise mathematical formulations and executable solver code.…

Large language models (LLMs) have not only revolutionized natural language processing but also extended their prowess to various domains, marking a significant stride towards artificial general intelligence. The interplay between LLMs and…

Neural and Evolutionary Computing · Computer Science 2024-05-30 Xingyu Wu , Sheng-hao Wu , Jibin Wu , Liang Feng , Kay Chen Tan

Parallel accelerators, such as GPUs, are key enablers for large-scale Machine Learning (ML) applications. However, ML model developers often lack detailed knowledge of the underlying system architectures, while system programmers usually do…

Machine Learning · Computer Science 2023-10-17 Jhe-Yu Liou , Stephanie Forrest , Carole-Jean Wu

Large language model (LLM)-based agents frequently generate seemingly coherent plans that fail upon execution due to infeasible actions, constraint violations, and compounding errors over extended horizons. PIVOT (Plan-Inspect-eVOlve…

Artificial Intelligence · Computer Science 2026-05-13 Tuo Zhang , Alin-Ionut Popa , Yan Xu , Rui Song , Dimitrios Dimitriadis

The extensive application of Large Language Models (LLMs) in generative coding tasks has raised concerns due to their high computational demands and energy consumption. Unlike previous structural pruning methods designed for classification…

Software Engineering · Computer Science 2025-04-25 Guang Yang , Yu Zhou , Xiangyu Zhang , Wei Cheng , Ke Liu , Xiang Chen , Terry Yue Zhuo , Taolue Chen

During the training phase of machine learning (ML) models, it is usually necessary to configure several hyperparameters. This process is computationally intensive and requires an extensive search to infer the best hyperparameter set for the…

Machine Learning · Computer Science 2024-04-19 Angelos Chatzimparmpas , Rafael M. Martins , Kostiantyn Kucher , Andreas Kerren

Much of the advancement in Multi-Agent Reinforcement Learning (MARL) for imperfect-information games has historically depended on the manual, iterative refinement of algorithmic baselines. Recently, evolutionary coding agents powered by…

Computer Science and Game Theory · Computer Science 2026-05-11 Zun Li , John Schultz , Daniel Hennes , Marc Lanctot

Feature engineering is mandatory in the machine learning pipeline to obtain robust models. While evolutionary computation is well-known for its great results both in feature selection and feature construction, its methods are…

Machine Learning · Computer Science 2025-03-28 João Eduardo Batista

Large language model (LLM) serving is fundamentally limited by inefficient hardware utilization. Autoregressive (AR) decoding underutilizes GPUs due to its strictly sequential execution, while diffusion LLMs (DLLMs) improve throughput by…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-26 Chiyue Wei , Cong Guo , Bowen Duan , Junyao Zhang , Haoxuan Shan , Yifei Wang , Yangjie Zhou , Hai "Helen" Li , Danyang Zhuo , Yiran Chen

Designing heuristics for combinatorial optimization problems (COPs) is a fundamental yet challenging task that traditionally requires extensive domain expertise. Recently, Large Language Model (LLM)-based Automated Heuristic Design (AHD)…

Artificial Intelligence · Computer Science 2026-04-28 Bin Chen , Shouliang Zhu , Beidan Liu , Yong Zhao , Tianle Pu , Huichun Li , Zhengqiu Zhu

In the realm of machine learning, traditional model development and automated approaches like AutoML typically rely on layers of abstraction, such as tree-based or Cartesian genetic programming. Our study introduces "Guided Evolution" (GE),…

Neural and Evolutionary Computing · Computer Science 2024-07-18 Clint Morris , Michael Jurado , Jason Zutty

In the evolutionary computing community, the remarkable language-handling capabilities and reasoning power of large language models (LLMs) have significantly enhanced the functionality of evolutionary algorithms (EAs), enabling them to…

Neural and Evolutionary Computing · Computer Science 2025-09-25 Jiao Liu , Zhu Sun , Shanshan Feng , Caishun Chen , Yew-Soon Ong