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Related papers: Foundation Models for AI-Enabled Biological Design

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The design of novel protein sequences with targeted functionalities underpins a central theme in protein engineering, impacting diverse fields such as drug discovery and enzymatic engineering. However, navigating this vast combinatorial…

Biomolecules · Quantitative Biology 2024-02-19 Yiheng Zhu , Zitai Kong , Jialu Wu , Weize Liu , Yuqiang Han , Mingze Yin , Hongxia Xu , Chang-Yu Hsieh , Tingjun Hou

Sparked by innovations in generative artificial intelligence (AI), the field of protein design has undergone a paradigm shift with an explosion of new models for optimizing existing enzymes or creating them from scratch. After more than one…

Biomolecules · Quantitative Biology 2026-02-04 Lasse Middendorf , Noelia Ferruz

Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

Machine Learning · Computer Science 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong

Foundation models, first introduced in 2021, refer to large-scale pretrained models (e.g., large language models (LLMs) and vision-language models (VLMs)) that learn from extensive unlabeled datasets through unsupervised methods, enabling…

Foundation models can be disruptive for future AI development by scaling up deep learning in terms of model size and training data's breadth and size. These models achieve state-of-the-art performance (often through further adaptation) on a…

Artificial Intelligence · Computer Science 2022-12-20 Johannes Schneider

Artificial intelligence (AI) is accelerating progress in modeling T and B cell receptors by enabling predictive and generative frameworks grounded in sequence data and immune context. This chapter surveys recent advances in the use of…

Biomolecules · Quantitative Biology 2026-01-30 Linhui Xie , Aurelien Pelissier , Yanjun Shao , Maria Rodriguez Martinez

The development of large-scale artificial intelligence (AI) models is influencing neuroscience research by enabling end-to-end learning from raw brain signals and neural data. In this paper, we review applications of large-scale AI models…

Despite the wealth of single-cell multi-omics data, it remains challenging to predict the consequences of novel genetic and chemical perturbations in the human body. It requires knowledge of molecular interactions at all biological levels,…

Artificial Intelligence · Computer Science 2025-01-22 You Wu , Lei Xie

While the exploration for embodied AI has spanned multiple decades, it remains a persistent challenge to endow agents with human-level intelligence, including perception, learning, reasoning, decision-making, control, and generalization…

Robotics · Computer Science 2024-02-07 Zhiyuan Xu , Kun Wu , Junjie Wen , Jinming Li , Ning Liu , Zhengping Che , Jian Tang

Artificial intelligence (AI)-driven methods can vastly improve the historically costly drug design process, with various generative models already in widespread use. Generative models for de novo drug design, in particular, focus on the…

Biomolecules · Quantitative Biology 2024-06-27 Xiangru Tang , Howard Dai , Elizabeth Knight , Fang Wu , Yunyang Li , Tianxiao Li , Mark Gerstein

Current artificial intelligence (AI) models often focus on enhancing performance through meticulous parameter tuning and optimization techniques. However, the fundamental design principles behind these models receive comparatively less…

Artificial Intelligence · Computer Science 2024-08-28 Jing Ren , Feng Xia

Deep learning-based AI models have been extensively applied in genomics, achieving remarkable success across diverse applications. As these models gain prominence, there exists an urgent need for interpretability methods to establish…

Genomics · Quantitative Biology 2025-05-16 Chenyu Wang , Chaoying Zuo , Zihan Su , Yuhang Xing , Lu Li , Maojun Wang , Zeyu Zhang

The rapid advancement of AI technology has led to widespread applications of agent systems across various domains. However, the need for detailed architecture design poses significant challenges in designing and operating these systems.…

Software Engineering · Computer Science 2024-08-07 Jingwen Zhou , Qinghua Lu , Jieshan Chen , Liming Zhu , Xiwei Xu , Zhenchang Xing , Stefan Harrer

We present an approach of using AI to model and simulate biology and life. Why is it important? Because at the core of medicine, pharmacy, public health, longevity, agriculture and food security, environmental protection, and clean energy,…

Artificial Intelligence · Computer Science 2024-12-11 Le Song , Eran Segal , Eric Xing

Understanding the biological mechanisms of disease is crucial for medicine, and in particular, for drug discovery. AI-powered analysis of genome-scale biological data holds great potential in this regard. The increasing availability of…

The recent release of large language model (LLM) based chatbots, such as ChatGPT, has attracted huge interest in foundation models. It is widely believed that foundation models will serve as the fundamental building blocks for future AI…

Software Engineering · Computer Science 2024-01-23 Qinghua Lu , Liming Zhu , Xiwei Xu , Yue Liu , Zhenchang Xing , Jon Whittle

The release of ChatGPT, Gemini, and other large language model has drawn huge interests on foundations models. There is a broad consensus that foundations models will be the fundamental building blocks for future AI systems. However, there…

Computation and Language · Computer Science 2024-07-17 Qinghua Lu , Liming Zhu , Xiwei Xu , Zhenchang Xing , Jon Whittle

Bioinformatics has witnessed a paradigm shift with the increasing integration of artificial intelligence (AI), particularly through the adoption of foundation models (FMs). These AI techniques have rapidly advanced, addressing historical…

Quantitative Methods · Quantitative Biology 2024-02-08 Qing Li , Zhihang Hu , Yixuan Wang , Lei Li , Yimin Fan , Irwin King , Le Song , Yu Li

The impact of Transformer-based language models has been unprecedented in Natural Language Processing (NLP). The success of such models has also led to their adoption in other fields including bioinformatics. Taking this into account, this…

Machine Learning · Computer Science 2025-07-21 Nimisha Ghosh , Daniele Santoni , Debaleena Nawn , Eleonora Ottaviani , Giovanni Felici

Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and powerful computational resources, impacting many fields including protein structural modeling. Protein structural modeling, such as predicting…

Biomolecules · Quantitative Biology 2020-07-17 Wenhao Gao , Sai Pooja Mahajan , Jeremias Sulam , Jeffrey J. Gray
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