Survey - BioScience LLMs

• SlideDeck: W2.2-bioLM
• Version: current
• Lead team: instructor
• Notes: llm in life science

Applications

In this session, our readings cover:

Required Readings:

Scientific Large Language Models: A Survey on Biological & Chemical Domains

• https://arxiv.org/abs/2401.14656
• Qiang Zhang, Keyang Ding, Tianwen Lyv, Xinda Wang, Qingyu Yin, Yiwen Zhang, Jing Yu, Yuhao Wang, Xiaotong Li, Zhuoyi Xiang, Kehua Feng, Xiang Zhuang, Zeyuan Wang, Ming Qin, Mengyao Zhang, Jinlu Zhang, Jiyu Cui, Tao Huang, Pengju Yan, Renjun Xu, Hongyang Chen, Xiaolin Li, Xiaohui Fan, Huabin Xing, Huajun Chen
• Large Language Models (LLMs) have emerged as a transformative power in enhancing natural language comprehension, representing a significant stride toward artificial general intelligence. The application of LLMs extends beyond conventional linguistic boundaries, encompassing specialized linguistic systems developed within various scientific disciplines. This growing interest has led to the advent of scientific LLMs, a novel subclass specifically engineered for facilitating scientific discovery. As a burgeoning area in the community of AI for Science, scientific LLMs warrant comprehensive exploration. However, a systematic and up-to-date survey introducing them is currently lacking. In this paper, we endeavor to methodically delineate the concept of “scientific language”, whilst providing a thorough review of the latest advancements in scientific LLMs. Given the expansive realm of scientific disciplines, our analysis adopts a focused lens, concentrating on the biological and chemical domains. This includes an in-depth examination of LLMs for textual knowledge, small molecules, macromolecular proteins, genomic sequences, and their combinations, analyzing them in terms of model architectures, capabilities, datasets, and evaluation. Finally, we critically examine the prevailing challenges and point out promising research directions along with the advances of LLMs. By offering a comprehensive overview of technical developments in this field, this survey aspires to be an invaluable resource for researchers navigating the intricate landscape of scientific LLMs.

Computational Protein Science in the Era of Large Language Models (LLMs)

• https://arxiv.org/abs/2501.10282
• Wenqi Fan, Yi Zhou, Shijie Wang, Yuyao Yan, Hui Liu, Qian Zhao, Le Song, Qing Li
• 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 the last few decades, Artificial Intelligence (AI) has made significant impacts in computational protein science, leading to notable successes in specific protein modeling tasks. However, those previous AI models still meet limitations, such as the difficulty in comprehending the semantics of protein sequences, and the inability to generalize across a wide range of protein modeling tasks. Recently, LLMs have emerged as a milestone in AI due to their unprecedented language processing & generalization capability. They can promote comprehensive progress in fields rather than solving individual tasks. As a result, researchers have actively introduced LLM techniques in computational protein science, developing protein Language Models (pLMs) that skillfully grasp the foundational knowledge of proteins and can be effectively generalized to solve a diversity of sequence-structure-function reasoning problems. While witnessing prosperous developments, it’s necessary to present a systematic overview of computational protein science empowered by LLM techniques. First, we summarize existing pLMs into categories based on their mastered protein knowledge, i.e., underlying sequence patterns, explicit structural and functional information, and external scientific languages. Second, we introduce the utilization and adaptation of pLMs, highlighting their remarkable achievements in promoting protein structure prediction, protein function prediction, and protein design studies. Then, we describe the practical application of pLMs in antibody design, enzyme design, and drug discovery. Finally, we specifically discuss the promising future directions in this fast-growing field.

Extra Readings: