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Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

Artificial Intelligence · Computer Science 2025-08-08 Kartar Kumar Lohana Tharwani , Rajesh Kumar , Sumita , Numan Ahmed , Yong Tang

Large Language Models (LLMs) have demonstrated remarkable reasoning abilities, prompting interest in their application as black-box optimizers. This paper asserts that LLMs possess the capability for zero-shot optimization across diverse…

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

A new model for evolving Evolutionary Algorithms (EAs) is proposed in this paper. The model is based on the Multi Expression Programming (MEP) technique. Each MEP chromosome encodes an evolutionary pattern that is repeatedly used for…

Neural and Evolutionary Computing · Computer Science 2021-10-13 Mihai Oltean

Technology mapping is a critical yet challenging stage in logic synthesis. While Large Language Models (LLMs) have been applied to generate optimization scripts, their potential for core algorithm enhancement remains untapped. We introduce…

Computational Engineering, Finance, and Science · Computer Science 2026-04-30 Rongliang Fu , Yi Liu , Qiang Xu , Tsung-Yi Ho

With the widespread adoption of Large Language Models (LLMs), the prevalence of iterative interactions among these models is anticipated to increase. Notably, recent advancements in multi-round self-improving methods allow LLMs to generate…

Computation and Language · Computer Science 2024-10-31 Yi Ren , Shangmin Guo , Linlu Qiu , Bailin Wang , Danica J. Sutherland

Decision trees are a crucial class of models offering robust predictive performance and inherent interpretability across various domains, including healthcare, finance, and logistics. However, current tree induction methods often face…

Machine Learning · Computer Science 2025-03-19 Tennison Liu , Nicolas Huynh , Mihaela van der Schaar

This research presents a novel application of Evolutionary Computation to the domain of residential electric vehicle (EV) energy management. While reinforcement learning (RL) achieves high performance in vehicle-to-grid (V2G) optimization,…

Neural and Evolutionary Computing · Computer Science 2026-02-10 Vishesh Purnananda , Benjamin John Wruck , Mingyu Guo

Large Language Models (LLMs) have demonstrated remarkable capabilities on various tasks, while the further evolvement is limited to the lack of high-quality training data. In addition, traditional training approaches rely too much on…

Computation and Language · Computer Science 2025-02-14 Peidong Wang , Ming Wang , Zhiming Ma , Xiaocui Yang , Shi Feng , Daling Wang , Yifei Zhang , Kaisong Song

Designing safe and sustainable chemicals is critical to combat chemical pollution in our environment. Machine learning (ML) methods have been developed to aid with de novo molecule design. However, data on the environmental impacts of…

Human-Computer Interaction · Computer Science 2026-05-18 Coelina Robinson , Franziska Weissbach , Kjell Jorner , Mennatallah El-Assady , Christina Humer

Large Language Models (LLMs) are used for Register-Transfer Level (RTL) code generation, but they face two main challenges: functional correctness and Power, Performance, and Area (PPA) optimization. Iterative, feedback-based methods…

Neural and Evolutionary Computing · Computer Science 2025-10-27 Kyungjun Min , Kyumin Cho , Junhwan Jang , Seokhyeong Kang

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

Large Language Models (LLMs) have demonstrated great potential in automating the generation of Verilog hardware description language code for hardware design. This automation is critical to reducing human effort in the complex and…

Hardware Architecture · Computer Science 2025-08-20 Ping Guo , Yiting Wang , Wanghao Ye , Yexiao He , Ziyao Wang , Xiaopeng Dai , Ang Li , Qingfu Zhang

Machine learning (ML)-guided directed evolution is a new paradigm for biological design that enables optimization of complex functions. ML methods use data to predict how sequence maps to function without requiring a detailed model of the…

Biomolecules · Quantitative Biology 2019-04-23 Kevin K. Yang , Zachary Wu , Frances H. Arnold

Edge computing enables real-time data processing closer to its source, thus improving the latency and performance of edge-enabled AI applications. However, traditional AI models often fall short when dealing with complex, dynamic tasks that…

Networking and Internet Architecture · Computer Science 2025-07-02 Haoxiang Luo , Yinqiu Liu , Ruichen Zhang , Jiacheng Wang , Gang Sun , Dusit Niyato , Hongfang Yu , Zehui Xiong , Xianbin Wang , Xuemin Shen

Natural lifeforms specialise to their environmental niches across many levels; from low-level features such as DNA and proteins, through to higher-level artefacts including eyes, limbs, and overarching body plans. We propose Multi-Level…

A new model for evolving Evolutionary Algorithms is proposed in this paper. The model is based on the Linear Genetic Programming (LGP) technique. Every LGP chromosome encodes an EA which is used for solving a particular problem. Several…

Neural and Evolutionary Computing · Computer Science 2021-09-28 Mihai Oltean

Predicting the future trajectory of complex and rapidly evolving systems remains a significant challenge, particularly in domains where data is scarce or unreliable. This study introduces a novel approach to qualitative forecasting by…

Artificial Intelligence · Computer Science 2025-03-03 Francesco Bertolotti , Luca Mari

Building agentic systems that can autonomously self-improve from experience is a longstanding goal of AI. Large language models (LLMs) today primarily self-improve via two mechanisms: self-reflection for context updates, and reinforcement…

Artificial Intelligence · Computer Science 2026-02-26 Lunjun Zhang , Ryan Chen , Bradly C. Stadie

Generating challenging instances is crucial for the evaluation and advancement of combinatorial optimization solvers. In this work, we introduce EALG (Evolutionary Adversarial Generation of Language Model-Guided Generators), a novel…

Artificial Intelligence · Computer Science 2025-06-04 Ruibo Duan , Yuxin Liu , Xinyao Dong , Chenglin Fan