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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

The evaluation of generative or discriminative large language model (LLM)-based systems is often a complex multi-dimensional problem. Typically, a set of system configuration alternatives are evaluated on one or more benchmark datasets,…

Applications · Statistics 2025-01-31 Samuel Ackerman , Eitan Farchi , Orna Raz , Assaf Toledo

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

Large language models (LLMs) have taken the scientific world by storm, changing the landscape of natural language processing and human-computer interaction. These powerful tools can answer complex questions and, surprisingly, perform…

Artificial Intelligence · Computer Science 2023-11-14 Pier Luca Lanzi , Daniele Loiacono

Large Language Models (LLMs) have made significant progress in handling complex programming tasks. However, current methods rely on manual model selection and fixed workflows, which limit their ability to adapt to changing task…

Software Engineering · Computer Science 2026-03-18 Yulin Peng , Haowen Hou , Xinxin Zhu , Ying Tiffany He , F. Richard Yu

Designing high-performance system heuristics is a creative, iterative process requiring experts to form hypotheses and execute multi-step conceptual shifts. While Large Language Models (LLMs) show promise in automating this loop, they…

Artificial Intelligence · Computer Science 2026-03-24 Pantea Karimi , Kimia Noorbakhsh , Mohammad Alizadeh , Hari Balakrishnan

With the rapid development of Large Language Models (LLMs), a large number of machine learning models have been developed to assist programming tasks including the generation of program code from natural language input. However, how to…

Artificial Intelligence · Computer Science 2024-06-19 Debalina Ghosh Paul , Hong Zhu , Ian Bayley

Current LLM agent benchmarks, which predominantly focus on binary pass/fail tasks such as code generation or search-based question answering, often neglect the value of real-world engineering that is often captured through the iterative…

The era of large language models (LLM) raises questions not only about how to train models, but also about how to evaluate them. Despite numerous existing benchmarks, insufficient attention is often given to creating assessments that test…

As large language models (LLMs) continue to advance in programming tasks, LLM-driven coding systems have evolved from one-shot code generation into complex systems capable of iterative improvement during inference. However, existing code…

Software Engineering · Computer Science 2026-02-12 Wentao Zhang , Jianfeng Wang , Liheng Liang , Yilei Zhao , HaiBin Wen , Zhe Zhao

Combinatorial optimization problems often rely on heuristic algorithms to generate efficient solutions. However, the manual design of heuristics is resource-intensive and constrained by the designer's expertise. Recent advances in…

Artificial Intelligence · Computer Science 2025-03-06 Thomas Bömer , Nico Koltermann , Max Disselnmeyer , Laura Dörr , Anne Meyer

We consider the protein sequence engineering problem, which aims to find protein sequences with high fitness levels, starting from a given wild-type sequence. Directed evolution has been a dominating paradigm in this field which has an…

Machine Learning · Computer Science 2025-01-20 Yinkai Wang , Jiaxing He , Yuanqi Du , Xiaohui Chen , Jianan Canal Li , Li-Ping Liu , Xiaolin Xu , Soha Hassoun

Evaluation insights are limited by the availability of high-quality benchmarks. As models evolve, there is a need to create benchmarks that can measure progress on new and complex generative capabilities. However, manually creating new…

Machine Learning · Computer Science 2025-10-08 Natasha Butt , Varun Chandrasekaran , Neel Joshi , Besmira Nushi , Vidhisha Balachandran

To evaluate the repository-level code generation capabilities of Large Language Models (LLMs) in complex real-world software development scenarios, many evaluation methods have been developed. These methods typically leverage contextual…

Software Engineering · Computer Science 2025-03-19 Dewu Zheng , Yanlin Wang , Ensheng Shi , Ruikai Zhang , Yuchi Ma , Hongyu Zhang , Zibin Zheng

Integrating Large Language Models (LLMs) and Evolutionary Computation (EC) represents a promising avenue for advancing artificial intelligence by combining powerful natural language understanding with optimization and search capabilities.…

Neural and Evolutionary Computing · Computer Science 2025-05-22 Dikshit Chauhan , Bapi Dutta , Indu Bala , Niki van Stein , Thomas Bäck , Anupam Yadav

Traditional optimization methods excel in well-defined search spaces but struggle with design problems where transformations and design parameters are difficult to define. Large language models (LLMs) offer a promising alternative by…

Machine Learning · Computer Science 2025-12-01 Anthony Carreon , Vansh Sharma , Venkat Raman

Large language models (LLMs) have shown great promise in generating structured diagrams from natural language descriptions, particularly Mermaid sequence diagrams for software engineering. However, the lack of existing benchmarks to assess…

Software Engineering · Computer Science 2026-04-28 Basel Shbita , Farhan Ahmed , Chad DeLuca

Benchmarks are essential tools for the optimizer's development. Using them, we can check for what kind of problems a given optimizer is effective or not. Since the objective of the Evolutionary Computation field is to support the tools to…

Neural and Evolutionary Computing · Computer Science 2026-04-21 Michal W. Przewozniczek , Bartosz Frej , Marcin M. Komarnicki

Large Language Models (LLMs) excel at code generation but remain heavily reliant on large-scale annotated solutions and verification-based supervision, which constrains scalability and hinders sustained self-improvement. Recent…

Software Engineering · Computer Science 2026-05-22 Yixu Huang , Xinglei Yu , Zhongyu Wei

The rapid advancement of large language models (LLMs) such as GPT-3, PaLM, and Llama has significantly transformed natural language processing, showcasing remarkable capabilities in understanding and generating language. However, a…

Computation and Language · Computer Science 2026-05-15 Yifan Zhang
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