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Directed evolution of proteins has been the most effective method for protein engineering. However, a new paradigm is emerging, fusing the library generation and screening approaches of traditional directed evolution with computation…

Biomolecules · Quantitative Biology 2023-05-29 Kadina E. Johnston , Clara Fannjiang , Bruce J. Wittmann , Brian L. Hie , Kevin K. Yang , Zachary Wu

This paper pursues the insight that large language models (LLMs) trained to generate code can vastly improve the effectiveness of mutation operators applied to programs in genetic programming (GP). Because such LLMs benefit from training…

Neural and Evolutionary Computing · Computer Science 2022-06-20 Joel Lehman , Jonathan Gordon , Shawn Jain , Kamal Ndousse , Cathy Yeh , Kenneth O. Stanley

Large language models (LLMs) are a class of artificial intelligence models based on deep learning, which have great performance in various tasks, especially in natural language processing (NLP). Large language models typically consist of…

Quantitative Methods · Quantitative Biology 2025-02-04 Jiajia Liu , Mengyuan Yang , Yankai Yu , Haixia Xu , Tiangang Wang , Kang Li , Xiaobo Zhou

A plethora of protein language models have been released in recent years. Yet comparatively little work has addressed how to best sample from them to optimize desired biological properties. We fill this gap by proposing a flexible,…

Machine Learning · Computer Science 2026-05-08 Calvin McCarter , Nick Bhattacharya , Sebastian W. Ober , Hunter Elliott

Considering the significance of proteins, computational protein science has always been a critical scientific field, dedicated to revealing knowledge and developing applications within the protein sequence-structure-function paradigm. In…

Computational Engineering, Finance, and Science · Computer Science 2025-01-28 Wenqi Fan , Yi Zhou , Shijie Wang , Yuyao Yan , Hui Liu , Qian Zhao , Le Song , Qing Li

In recent years, protein-text models have gained significant attention for their potential in protein generation and understanding. Current approaches focus on integrating protein-related knowledge into large language models through…

Computation and Language · Computer Science 2025-11-11 Juntong Wu , Zijing Liu , He Cao , Hao Li , Bin Feng , Zishan Shu , Ke Yu , Li Yuan , Yu Li

Evolutionary computation (EC), as a powerful optimization algorithm, has been applied across various domains. However, as the complexity of problems increases, the limitations of EC have become more apparent. The advent of large language…

Neural and Evolutionary Computing · Computer Science 2024-05-24 Jinyu Cai , Jinglue Xu , Jialong Li , Takuto Ymauchi , Hitoshi Iba , Kenji Tei

Optimization can be found in many real-life applications. Designing an effective algorithm for a specific optimization problem typically requires a tedious amount of effort from human experts with domain knowledge and algorithm design…

Neural and Evolutionary Computing · Computer Science 2023-11-28 Fei Liu , Xialiang Tong , Mingxuan Yuan , Qingfu Zhang

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…

While protein language models (pLMs) have transformed biological research, the scaling laws governing their improvement remain underexplored. By adapting methodologies from NLP scaling laws, we investigated the optimal ratio between model…

Biomolecules · Quantitative Biology 2024-06-27 Yaiza Serrano , Álvaro Ciudad , Alexis Molina

We explore optimally training protein language models, an area of significant interest in biological research where guidance on best practices is limited. Most models are trained with extensive compute resources until performance gains…

Machine Learning · Computer Science 2024-11-05 Xingyi Cheng , Bo Chen , Pan Li , Jing Gong , Jie Tang , Le Song

While large language models (LLMs) have demonstrated strong capability in structured prediction tasks such as semantic parsing, few amounts of research have explored the underlying mechanisms of their success. Our work studies different…

Computation and Language · Computer Science 2023-02-01 Daking Rai , Yilun Zhou , Bailin Wang , Ziyu Yao

Optimization algorithms and large language models (LLMs) enhance decision-making in dynamic environments by integrating artificial intelligence with traditional techniques. LLMs, with extensive domain knowledge, facilitate intelligent…

Neural and Evolutionary Computing · Computer Science 2024-05-17 Sen Huang , Kaixiang Yang , Sheng Qi , Rui Wang

The parallels between protein sequences and natural language in their sequential structures have inspired the application of large language models (LLMs) to protein understanding. Despite the success of LLMs in NLP, their effectiveness in…

Quantitative Methods · Quantitative Biology 2024-07-09 Yiqing Shen , Zan Chen , Michail Mamalakis , Luhan He , Haiyang Xia , Tianbin Li , Yanzhou Su , Junjun He , Yu Guang Wang

Large Transformer models are capable of implementing a plethora of so-called in-context learning algorithms. These include gradient descent, classification, sequence completion, transformation, and improvement. In this work, we investigate…

Artificial Intelligence · Computer Science 2024-02-29 Robert Tjarko Lange , Yingtao Tian , Yujin Tang

Large Language Models (LLMs) have shown strong capabilities in language understanding and reasoning across diverse domains. Recently, there has been increasing interest in utilizing LLMs not merely as assistants in optimization tasks, but…

Neural and Evolutionary Computing · Computer Science 2025-10-10 Jie Zhao , Tao Wen , Kang Hao Cheong

Large Language Models (LLMs) have become a milestone in the field of artificial intelligence and natural language processing. However, their large-scale deployment remains constrained by the need for significant computational resources.…

Computation and Language · Computer Science 2025-08-07 Julián Camilo Velandia Gutiérrez

Protein language models (pLMs), pre-trained via causal language modeling on protein sequences, have been a promising tool for protein sequence design. In real-world protein engineering, there are many cases where the amino acids in the…

Machine Learning · Computer Science 2023-03-30 Youhan Lee , Hasun Yu

Pre-trained large language models (LLMs) exhibit powerful capabilities for generating natural text. Evolutionary algorithms (EAs) can discover diverse solutions to complex real-world problems. Motivated by the common collective and…

Neural and Evolutionary Computing · Computer Science 2025-03-10 Chao Wang , Jiaxuan Zhao , Licheng Jiao , Lingling Li , Fang Liu , Shuyuan Yang

In recent years, large pre-trained language models (LLMs) have demonstrated the ability to follow instructions and perform novel tasks from a few examples. The possibility to parameterise an LLM through such in-context examples widens their…

Machine Learning · Computer Science 2023-05-10 Imanol Schlag , Sainbayar Sukhbaatar , Asli Celikyilmaz , Wen-tau Yih , Jason Weston , Jürgen Schmidhuber , Xian Li