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Expressive robotic behavior is essential for the widespread acceptance of robots in social environments. Recent advancements in learned legged locomotion controllers have enabled more dynamic and versatile robot behaviors. However,…

Robotics · Computer Science 2025-04-02 Jaden Clark , Joey Hejna , Dorsa Sadigh

Large language models (LLMs) have made significant progress in natural language understanding and generation, driven by scalable pretraining and advanced finetuning. However, enhancing reasoning abilities in LLMs, particularly via…

Artificial Intelligence · Computer Science 2025-05-30 Huimu Yu , Xing Wu , Haotian Xu , Debing Zhang , Songlin Hu

Protein sequence design must balance designability, defined as the ability to recover a target backbone, with multiple, often competing, developability properties such as solubility, thermostability, and expression. Existing approaches…

Machine Learning · Computer Science 2026-03-11 Xiaoyang Hou , Junqi Liu , Chence Shi , Xin Liu , Zhi Yang , Jian Tang

Large Language Models (LLMs) have exhibited remarkable proficiency in comprehending and generating natural language. On the other hand, personalized LLM response generation holds the potential to offer substantial benefits for individuals…

Computation and Language · Computer Science 2025-01-15 Kai Zhang , Yejin Kim , Xiaozhong Liu

Aligning Large Language Models (LLMs) with human preferences is critical, yet traditional fine-tuning methods are computationally expensive and inflexible. While test-time alignment offers a promising alternative, existing approaches often…

Artificial Intelligence · Computer Science 2026-01-16 Tiesunlong Shen , Rui Mao , Jin Wang , Heming Sun , Jian Zhang , Xuejie Zhang , Erik Cambria

Facilitated by large language models (LLMs), personalized text generation has become a rapidly growing research direction. Most existing studies focus on designing specialized models for a particular domain, or they require fine-tuning the…

Computation and Language · Computer Science 2024-02-09 Cheng Li , Mingyang Zhang , Qiaozhu Mei , Weize Kong , Michael Bendersky

Large language models (LLMs) have been widely adopted due to their remarkable performance across various applications, driving the accelerated development of a large number of diverse models. However, these individual LLMs show limitations…

Computation and Language · Computer Science 2025-06-13 Kaushal Kumar Maurya , KV Aditya Srivatsa , Ekaterina Kochmar

The design of protein sequences with desired functionalities is a fundamental task in protein engineering. Deep generative methods, such as autoregressive models and diffusion models, have greatly accelerated the discovery of novel protein…

Machine Learning · Computer Science 2025-04-16 Zitai Kong , Yiheng Zhu , Yinlong Xu , Hanjing Zhou , Mingzhe Yin , Jialu Wu , Hongxia Xu , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate…

Soft Condensed Matter · Physics 2024-02-08 A. Ghafarollahi , M. J. Buehler

Protein language models (pLMs) have demonstrated success at generating functional proteins across vast sequence spaces but lack the ability to design high-fitness variants on demand. Here, we iteratively guide pLMs toward user-defined…

Biomolecules · Quantitative Biology 2025-12-01 Filippo Stocco , Maria Artigues-Lleixa , Andrea Hunklinger , Talal Widatalla , Marc Guell , Noelia Ferruz

Spider silks are remarkable materials characterized by superb mechanical properties such as strength, extensibility and lightweightedness. Yet, to date, limited models are available to fully explore sequence-property relationships for…

Materials Science · Physics 2023-10-20 Wei Lu , David L. Kaplan , Markus J. Buehler

Protein language models have emerged as powerful tools for sequence generation, offering substantial advantages in functional optimization and denovo design. However, these models also present significant risks of generating harmful protein…

Artificial Intelligence · Computer Science 2025-07-16 Yuhao Wang , Keyan Ding , Kehua Feng , Zeyuan Wang , Ming Qin , Xiaotong Li , Qiang Zhang , Huajun Chen

The goal of protein fitness optimization is to discover new protein variants with enhanced fitness for a given use. The vast search space and the sparsely populated fitness landscape, along with the discrete nature of protein sequences,…

Machine Learning · Computer Science 2025-05-29 Lea Bogensperger , Dominik Narnhofer , Ahmed Allam , Konrad Schindler , Michael Krauthammer

Protein language models (PLMs) encode rich biological information, yet their internal neuron representations are poorly understood. We introduce the first automated framework for labeling every neuron in a PLM with biologically grounded…

Machine Learning · Computer Science 2025-07-10 Arjun Banerjee , David Martinez , Camille Dang , Ethan Tam

Large Language Models (LLMs) have recently shown promise in streamlining hardware design processes by encapsulating vast amounts of domain-specific data. In addition, they allow users to interact with the design processes through natural…

Machine Learning · Computer Science 2024-07-04 Yongan Zhang , Zhongzhi Yu , Yonggan Fu , Cheng Wan , Yingyan Celine Lin

Large Language models (LLMs) have emerged as powerful tools for addressing challenges across diverse domains. Notably, recent studies have demonstrated that large language models significantly enhance the efficiency of biomolecular analysis…

Computation and Language · Computer Science 2025-03-07 Jiyue Jiang , Zikang Wang , Yuheng Shan , Heyan Chai , Jiayi Li , Zixian Ma , Xinrui Zhang , Yu Li

Large Language Models (LLMs) excel at generating synthetic data, but ensuring its quality and diversity remains challenging. We propose Genetic Prompt, a novel framework that combines genetic algorithms with LLMs to augment synthetic data…

Computation and Language · Computer Science 2025-09-03 Guangzeng Han , Weisi Liu , Xiaolei Huang

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 Language Models (LLMs) have demonstrated remarkable capabilities across various tasks, with their performance heavily dependent on the quality of input prompts. While prompt engineering has proven effective, it typically relies on…

Neural and Evolutionary Computing · Computer Science 2025-04-17 Xavier Sécheresse , Jacques-Yves Guilbert--Ly , Antoine Villedieu de Torcy

Designing novel proteins with desired functions is crucial in biology and chemistry. However, most existing work focus on protein sequence design, leaving protein sequence and structure co-design underexplored. In this paper, we propose…

Machine Learning · Computer Science 2023-10-05 Zhenqiao Song , Yunlong Zhao , Yufei Song , Wenxian Shi , Yang Yang , Lei Li