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Named entity recognition (NER) models are typically based on the architecture of Bi-directional LSTM (BiLSTM). The constraints of sequential nature and the modeling of single input prevent the full utilization of global information from…

Computation and Language · Computer Science 2019-11-20 Ying Luo , Fengshun Xiao , Hai Zhao

Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes…

Machine Learning · Computer Science 2022-06-20 Wujie Wang , Minkai Xu , Chen Cai , Benjamin Kurt Miller , Tess Smidt , Yusu Wang , Jian Tang , Rafael Gómez-Bombarelli

Large language models (LLMs) trained on text demonstrated remarkable results on natural language processing (NLP) tasks. These models have been adapted to decipher the language of DNA, where sequences of nucleotides act as "words" that…

How to effectively incorporate cross-utterance information cues into a neural language model (LM) has emerged as one of the intriguing issues for automatic speech recognition (ASR). Existing research efforts on improving contextualization…

Computation and Language · Computer Science 2021-10-04 Shih-Hsuan Chiu , Tien-Hong Lo , Fu-An Chao , Berlin Chen

Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…

Machine Learning · Computer Science 2026-02-03 Zhuoran Li , Xu Sun , Wanyu Lin , Jiannong Cao

Natural Language Processing enables computers to understand human language by analysing and classifying text efficiently with deep-level grammatical and semantic features. Existing models capture features by learning from large corpora with…

Computation and Language · Computer Science 2026-02-25 Azrin Sultana , Firoz Ahmed

Geometric deep learning has recently achieved great success in non-Euclidean domains, and learning on 3D structures of large biomolecules is emerging as a distinct research area. However, its efficacy is largely constrained due to the…

Machine Learning · Computer Science 2023-10-31 Fang Wu , Lirong Wu , Dragomir Radev , Jinbo Xu , Stan Z. Li

Implicit solvent models (ISMs) promise to deliver the accuracy of explicit solvent simulations at a fraction of the computational cost. However, despite decades of development, their accuracy has remained insufficient for many critical…

Biological Physics · Physics 2026-03-26 Justin Airas , Bin Zhang

State-of-the-art face recognition (FR) models often experience a significant performance drop when dealing with facial images in surveillance scenarios where images are in low quality and often corrupted with noise. Leveraging facial…

Computer Vision and Pattern Recognition · Computer Science 2023-12-18 Md Mahedi Hasan , Shoaib Meraj Sami , Nasser Nasrabadi

In recent years, deep models have achieved remarkable success in various vision tasks. However, their performance heavily relies on large training datasets. In contrast, humans exhibit hybrid learning, seamlessly integrating structured…

Computer Vision and Pattern Recognition · Computer Science 2023-12-07 Jin Yuan , Yang Zhang , Yangzhou Du , Zhongchao Shi , Xin Geng , Jianping Fan , Yong Rui

Existing Protein Language Models (PLMs) often suffer from limited adaptability to multiple tasks and exhibit poor generalization across diverse biological contexts. In contrast, general-purpose Large Language Models (LLMs) lack the…

Machine Learning · Computer Science 2026-02-23 Yujia Wang , Jihong Guan , Wengen Li , Shuigeng Zhou , Xuhong Wang

This work investigates descriptive captions as an additional source of supervision for biological multimodal foundation models. Images and captions can be viewed as complementary samples from the latent morphospace of a species, each…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Ziheng Zhang , Xinyue Ma , Arpita Chowdhury , Elizabeth G. Campolongo , Matthew J. Thompson , Net Zhang , Samuel Stevens , Hilmar Lapp , Tanya Berger-Wolf , Yu Su , Wei-Lun Chao , Jianyang Gu

Biological and artificial systems encode information through several complex nonlinear operations, making their exact study a formidable challenge. These internal mechanisms often take place across multiple timescales and process external…

Statistical Mechanics · Physics 2024-11-19 Giorgio Nicoletti , Daniel M. Busiello

Proteins adopt multiple structural conformations to perform their diverse biological functions, and understanding these conformations is crucial for advancing drug discovery. Traditional physics-based simulation methods often struggle with…

Biomolecules · Quantitative Biology 2025-03-14 Jiarui Lu , Xiaoyin Chen , Stephen Zhewen Lu , Chence Shi , Hongyu Guo , Yoshua Bengio , Jian Tang

Representation learning has driven major advances in natural image analysis by enabling models to acquire high-level semantic features. In microscopy imaging, however, it remains unclear what current representation learning methods actually…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Ivan Svatko , Maxime Sanchez , Ihab Bendidi , Gilles Cottrell , Auguste Genovesio

Motivation: Biological data and knowledge bases increasingly rely on Semantic Web technologies and the use of knowledge graphs for data integration, retrieval and federated queries. In the past years, feature learning methods that are…

Quantitative Methods · Quantitative Biology 2017-05-01 Mona Alshahrani , Mohammed Asif Khan , Omar Maddouri , Akira R Kinjo , Núria Queralt-Rosinach , Robert Hoehndorf

Coarse-graining is a powerful tool for extending the reach of dynamic models of proteins and other biological macromolecules. Topological coarse-graining, in which biomolecules or sets thereof are represented via graph structures, is a…

Biomolecules · Quantitative Biology 2021-09-15 Vy Duong , Elizabeth Diessner , Gianmarc Grazioli , Rachel W. Martin , Carter T. Butts

Knowledge graphs (KGs) are an important tool for representing complex relationships between entities in the biomedical domain. Several methods have been proposed for learning embeddings that can be used to predict new links in such graphs.…

Artificial Intelligence · Computer Science 2026-05-12 Daniel Daza , Dimitrios Alivanistos , Payal Mitra , Thom Pijnenburg , Michael Cochez , Paul Groth

We present BioLangFusion, a simple approach for integrating pre-trained DNA, mRNA, and protein language models into unified molecular representations. Motivated by the central dogma of molecular biology (information flow from gene to…

Machine Learning · Computer Science 2025-06-11 Amina Mollaysa , Artem Moskale , Pushpak Pati , Tommaso Mansi , Mangal Prakash , Rui Liao

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang