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We are interested in neurosymbolic systems consisting of a high-level symbolic layer for explainable prediction in terms of human-intelligible concepts; and a low-level neural layer for extracting symbols required to generate the symbolic…

Artificial Intelligence · Computer Science 2022-11-30 Vedant Shah , Aditya Agrawal , Lovekesh Vig , Ashwin Srinivasan , Gautam Shroff , Tanmay Verlekar

Protein structure prediction is a critical and longstanding challenge in biology, garnering widespread interest due to its significance in understanding biological processes. A particular area of focus is the prediction of missing loops in…

Recent advances in Protein Language Models (PLMs) have transformed protein engineering, yet unlike their counterparts in Natural Language Processing (NLP), current PLMs exhibit a fundamental limitation: they excel in either Protein Language…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Liuzhenghao Lv , Zongying Lin , Hao Li , Yuyang Liu , Jiaxi Cui , Calvin Yu-Chian Chen , Li Yuan , Yonghong Tian

Structure determination is key to understanding protein function at a molecular level. Whilst significant advances have been made in predicting structure and function from amino acid sequence, researchers must still rely on expensive,…

Computer Vision and Pattern Recognition · Computer Science 2020-09-01 Alexander Hudson , Shaogang Gong

Protein analysis tasks arising in healthcare settings often require accurate reasoning under protein sequence constraints, involving tasks such as functional interpretation of disease-related variants, protein-level analysis for clinical…

Artificial Intelligence · Computer Science 2026-03-03 Congying Liu , Taihao Li , Ming Huang , Xingyuan Wei , Peipei Liu , Yiqing Shen , Yanxu Mao , Tiehan Cui

Improving the ability to predict protein function can potentially facilitate research in the fields of drug discovery and precision medicine. Technically, the properties of proteins are directly or indirectly reflected in their sequence and…

Biomolecules · Quantitative Biology 2024-11-19 Runze Ma , Chengxin He , Huiru Zheng , Xinye Wang , Haiying Wang , Yidan Zhang , Lei Duan

Automatic phenotype concept recognition from unstructured text remains a challenging task in biomedical text mining research. Previous works that address the task typically use dictionary-based matching methods, which can achieve high…

Computation and Language · Computer Science 2021-01-26 Ling Luo , Shankai Yan , Po-Ting Lai , Daniel Veltri , Andrew Oler , Sandhya Xirasagar , Rajarshi Ghosh , Morgan Similuk , Peter N. Robinson , Zhiyong Lu

This paper surveys and organizes research works in a new paradigm in natural language processing, which we dub "prompt-based learning". Unlike traditional supervised learning, which trains a model to take in an input x and predict an output…

Computation and Language · Computer Science 2021-07-30 Pengfei Liu , Weizhe Yuan , Jinlan Fu , Zhengbao Jiang , Hiroaki Hayashi , Graham Neubig

Deciphering the function of unseen protein sequences is a fundamental challenge with broad scientific impact, yet most existing methods depend on task-specific adapters or large-scale supervised fine-tuning. We introduce the…

Machine Learning · Computer Science 2025-10-14 Xinhui Chen , Zuchao Li , Mengqi Gao , Yufeng Zhang , Chak Tou Leong , Haoyang Li , Jiaqi Chen

Less than 1% of protein sequences are structurally and functionally annotated. Natural Language Processing (NLP) community has recently embraced self-supervised learning as a powerful approach to learn representations from unlabeled text,…

Biomolecules · Quantitative Biology 2020-12-08 Modestas Filipavicius , Matteo Manica , Joris Cadow , Maria Rodriguez Martinez

The present gap between the amount of available protein sequence due to the development of next generation sequencing technology (NGS) and slow and expensive experimental extraction of useful information like annotation of protein sequence…

Computer Vision and Pattern Recognition · Computer Science 2018-11-02 Sheikh Muhammad Saiful Islam , Md Mahedi Hasan

We propose ProtLLM, a versatile cross-modal large language model (LLM) for both protein-centric and protein-language tasks. ProtLLM features a unique dynamic protein mounting mechanism, enabling it to handle complex inputs where the natural…

Biomolecules · Quantitative Biology 2024-03-14 Le Zhuo , Zewen Chi , Minghao Xu , Heyan Huang , Heqi Zheng , Conghui He , Xian-Ling Mao , Wentao Zhang

Most approaches to prediction of protein function from primary structure are based on similarity between the query sequence and sequences of known function. This approach, however, disregards the occurrence of gene duplication (paralogy) or…

Populations and Evolution · Quantitative Biology 2014-04-03 Paulo Bandiera-Paiva , Jackson C. Lima , Marcelo R. S. Briones

Understanding the intricate interplay among sequence, structure, and function remains a fundamental challenge in proteomics. The sequence-structure-function paradigm posits that biological roles are governed by the tertiary geometric…

Biomolecules · Quantitative Biology 2026-05-14 Hongwang Xiao , Wenjun Lin , Xi Chen , Hui Wang , Kai Chen , Jiashan Li , Yuancheng Sun , Sicheng Dai , Boya Wu , Qiwei Ye

Predicting multiple functions labeled with Enzyme Commission (EC) numbers from the enzyme sequence is of great significance but remains a challenge due to its sparse multi-label classification nature, i.e., each enzyme is typically…

Biomolecules · Quantitative Biology 2025-06-09 Zhao Yang , Bing Su , Jiahao Chen , Ji-Rong Wen

Objective. Epidemiological studies require data that are in alignment with the classifications established for occupations or economic activities. The classifications usually include hundreds of codes and titles. Manual coding of raw data…

Computation and Language · Computer Science 2020-12-15 Nenad Savic , Nicolas Bovio , Fabian Gilbert , Irina Guseva Canu

A central challenge in the study of protein evolution is the identification of historic amino acid sequence changes responsible for creating novel functions observed in present-day proteins. To address this problem, we developed a new…

Genomics · Quantitative Biology 2014-06-13 Victor Hanson-Smith , Christopher Baker , Alexander Johnson

We propose a novel interpretable deep neural network for text classification, called ProtoryNet, based on a new concept of prototype trajectories. Motivated by the prototype theory in modern linguistics, ProtoryNet makes a prediction by…

Machine Learning · Computer Science 2023-11-07 Dat Hong , Tong Wang , Stephen S. Baek

We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-training and downstream tasks on both experimental and…

Generalizable protein function prediction is increasingly constrained by the growing mismatch between exponentially expanding sequences of environmental proteins and the comparatively slow accumulation of experimentally verified functional…

Quantitative Methods · Quantitative Biology 2026-02-27 Ashley Babjac , Adrienne Hoarfrost