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Over the past few decades, Artificial Intelligence(AI) has progressed from the initial machine learning stage to the deep learning stage, and now to the stage of foundational models. Foundational models have the characteristics of…

计算与语言 · 计算机科学 2024-11-28 Lewen Yang , Xuanyu Zhou , Juao Fan , Xinyi Xie , Shengxin Zhu

Protein language models (PLMs) have revolutionised computational biology through their ability to generate powerful sequence representations for diverse prediction tasks. However, their black-box nature limits biological interpretation and…

生物大分子 · 定量生物学 2025-04-11 Jan van Eck , Dea Gogishvili , Wilson Silva , Sanne Abeln

Answering complex questions about textual narratives requires reasoning over both stated context and the world knowledge that underlies it. However, pretrained language models (LM), the foundation of most modern QA systems, do not robustly…

Spatial transcriptomics enables gene expression profiling with spatial context, offering unprecedented insights into the tissue microenvironment. However, most computational models treat genes as isolated numerical features, ignoring the…

机器学习 · 计算机科学 2025-11-17 Jiangkai Long , Yanran Zhu , Chang Tang , Kun Sun , Yuanyuan Liu , Xuesong Yan

Bilingual word embeddings have been widely used to capture the similarity of lexical semantics in different human languages. However, many applications, such as cross-lingual semantic search and question answering, can be largely benefited…

计算与语言 · 计算机科学 2019-09-10 Muhao Chen , Yingtao Tian , Haochen Chen , Kai-Wei Chang , Steven Skiena , Carlo Zaniolo

Effective representations of protein sequences are widely recognized as a cornerstone of machine learning-based protein design. Yet, protein bioengineering poses unique challenges for sequence representation, as experimental datasets…

定量方法 · 定量生物学 2026-04-07 Ana F. Rodrigues , Lucas Ferraz , Laura Balbi , Pedro Giesteira Cotovio , Catia Pesquita

Neural language models have become powerful tools for learning complex representations of entities in natural language processing tasks. However, their interpretability remains a significant challenge, particularly in domains like…

机器学习 · 计算机科学 2023-12-19 Divya Nori , Shivali Singireddy , Marina Ten Have

Multimodal foundation models aim to create a unified representation space that abstracts away from surface features like language syntax or modality differences. To investigate this, we study the internal representations of three recent…

计算与语言 · 计算机科学 2025-02-21 Hyunji Lee , Danni Liu , Supriti Sinhamahapatra , Jan Niehues

While protein language models (PLMs) are one of the most promising avenues of research for future de novo protein design, the way in which they transform sequences to hidden representations, as well as the information encoded in such…

机器学习 · 计算机科学 2026-05-29 Kosio Beshkov , Anders Malthe-Sørenssen

Coarse-graining (CG) accelerates molecular simulations of protein dynamics by simulating sets of atoms as singular beads. Backmapping is the opposite operation of bringing lost atomistic details back from the CG representation. While…

机器学习 · 计算机科学 2023-03-06 Soojung Yang , Rafael Gómez-Bombarelli

With the development of multimodality and large language models, the deep learning-based technique for medical image captioning holds the potential to offer valuable diagnostic recommendations. However, current generic text and image…

计算机视觉与模式识别 · 计算机科学 2024-01-02 Zhenyu Zhang , Benlu Wang , Weijie Liang , Yizhi Li , Xuechen Guo , Guanhong Wang , Shiyan Li , Gaoang Wang

Natural language conveys information at varying levels of granularity, from fine-grained references to broad descriptions. While granularity is fundamental to human communication, existing measures mostly capture surface detail or sentence…

计算与语言 · 计算机科学 2026-05-27 Lukas Ellinger , Alexander Fichtl , Miriam Anschütz , Georg Groh

Virtual screening plays a critical role in modern drug discovery by enabling the identification of promising candidate molecules for experimental validation. Traditional machine learning methods such, as Support Vector Machines (SVM) and…

机器学习 · 计算机科学 2025-04-29 Radia Berreziga , Mohammed Brahimi , Khairedine Kraim , Hamid Azzoune

This paper addresses the problems of missing reasoning chains and insufficient entity-level semantic understanding in large language models when dealing with tasks that require structured knowledge. It proposes a fine-tuning algorithm…

计算与语言 · 计算机科学 2025-08-21 Wuyang Zhang , Yexin Tian , Xiandong Meng , Mengjie Wang , Junliang Du

We extend the generalized approximate message passing (G-AMP) approach, originally proposed for high-dimensional generalized-linear regression in the context of compressive sensing, to the generalized-bilinear case, which enables its…

信息论 · 计算机科学 2015-06-17 Jason T. Parker , Philip Schniter , Volkan Cevher

The paradigm of large language models in natural language processing (NLP) has also shown promise in modeling biological languages, including proteins, RNA, and DNA. Both the auto-regressive generation paradigm and evaluation metrics have…

生物大分子 · 定量生物学 2025-07-04 Ke Liu , Shuaike Shen , Hao Chen

Language models for biological and chemical sequences enable crucial applications such as drug discovery, protein engineering, and precision medicine. Currently, these language models are predominantly based on Transformer architectures.…

Graph Neural Networks (GNNs) have been widely employed for feature representation learning in molecular graphs. Therefore, it is crucial to enhance the expressiveness of feature representation to ensure the effectiveness of GNNs. However, a…

机器学习 · 计算机科学 2024-09-16 Chengyu Yao , Hong Huang , Hang Gao , Fengge Wu , Haiming Chen , Junsuo Zhao

Integrating large language models (LLMs) with knowledge graphs derived from domain-specific data represents an important advancement towards more powerful and factual reasoning. As these models grow more capable, it is crucial to enable…

人工智能 · 计算机科学 2024-04-19 Stefan Dernbach , Khushbu Agarwal , Alejandro Zuniga , Michael Henry , Sutanay Choudhury

The rapid evolution of multimodal foundation model has demonstrated significant progresses in vision-language understanding and generation, e.g., our previous work SEED-LLaMA. However, there remains a gap between its capability and the…

计算机视觉与模式识别 · 计算机科学 2025-03-04 Yuying Ge , Sijie Zhao , Jinguo Zhu , Yixiao Ge , Kun Yi , Lin Song , Chen Li , Xiaohan Ding , Ying Shan