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Natural language offers an intuitive and flexible means for humans to communicate with the robots that we will increasingly work alongside in our homes and workplaces. Recent advancements have given rise to robots that are able to interpret…

Proteins, essential to biological systems, perform functions intricately linked to their three-dimensional structures. Understanding the relationship between protein structures and their amino acid sequences remains a core challenge in…

Quantitative Methods · Quantitative Biology 2024-11-04 Liang He , Peiran Jin , Yaosen Min , Shufang Xie , Lijun Wu , Tao Qin , Xiaozhuan Liang , Kaiyuan Gao , Yuliang Jiang , Tie-Yan Liu

Representing token embeddings as probability distributions over learned manifolds allows for more flexible contextual inference, reducing representational rigidity while enhancing semantic granularity. Comparative evaluations demonstrate…

Computation and Language · Computer Science 2025-04-25 Christopher Nightingale , Dominic Lavington , Jonathan Thistlethwaite , Sebastian Penhaligon , Thomas Belinski , David Boldo

Recent advances in Natural Language Processing (NLP) have ignited interest in developing effective methods for predicting protein-ligand interactions (PLIs) given their relevance to drug discovery and protein engineering efforts and the…

Quantitative Methods · Quantitative Biology 2024-10-18 James Michels , Ramya Bandarupalli , Amin Ahangar Akbari , Thai Le , Hong Xiao , Jing Li , Erik F. Y. Hom

Motivation: Protein interactions are fundamental building blocks of biochemical reaction systems underlying cellular functions. The complexity and functionality of such systems emerge not from the protein interactions themselves but from…

Molecular Networks · Quantitative Biology 2011-06-15 Johannes Köster , Eli Zamir , Sven Rahmann

Language models are powerful tools for molecular design. Currently, the dominant paradigm is to parse molecular graphs into linear string representations that can easily be trained on. This approach has been very successful, however, it is…

Machine Learning · Computer Science 2023-05-11 Daniel Flam-Shepherd , Alán Aspuru-Guzik

Within bioinformatics, the textual alignment of amino acid sequences has long dominated the determination of similarity between proteins, with all that implies for shared structure, function and evolutionary descent. Despite the relative…

Quantitative Methods · Quantitative Biology 2016-02-10 Amit K Chattopadhyay , Diar Nasiev , Darren R Flower

We describe an approach to robust domain-independent syntactic parsing of unrestricted naturally-occurring (English) input. The technique involves parsing sequences of part-of-speech and punctuation labels using a unification-based grammar…

cmp-lg · Computer Science 2008-02-03 Ted Briscoe , John Carroll

The Basic Local Alignment Search Tool (BLAST) is currently the most popular method for searching databases of biological sequences. BLAST compares sequences via similarity defined by a weighted edit distance, which results in it being…

Biomolecules · Quantitative Biology 2020-10-29 Amir Shanehsazzadeh , David Belanger , David Dohan

Motivation: Proteins are of great significance in living organisms. However, understanding their functions encounters numerous challenges, such as insufficient integration of multimodal information, a large number of training parameters,…

Machine Learning · Computer Science 2025-05-23 Zhicong Wang , Zicheng Ma , Ziqiang Cao , Changlong Zhou , Jun Zhang , Yiqin Gao

Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

Spatially proximate amino acids in a protein tend to coevolve. A protein's three-dimensional (3D) structure hence leaves an echo of correlations in the evolutionary record. Reverse engineering 3D structures from such correlations is an open…

Quantitative Methods · Quantitative Biology 2013-01-15 Magnus Ekeberg , Cecilia Lövkvist , Yueheng Lan , Martin Weigt , Erik Aurell

Since language is tied to cognition, we expect the linguistic structures to reflect patterns we encounter in nature and analyzed by physics. Within this realm we investigate the process of protolanguage acquisition, using analytical and…

Physics and Society · Physics 2015-05-14 A. Nicolaidis , Kosmas Kosmidis , Panos Argyrakis

The 21st century is presenting humankind with unprecedented environmental and medical challenges. The ability to design novel proteins tailored for specific purposes could transform our ability to respond timely to these issues. Recent…

Biomolecules · Quantitative Biology 2022-08-24 Noelia Ferruz , Birte Höcker

This study presents an unsupervised method to infer discreteness, syntax and temporal structures of fruit-bats vocalizations, as a case study of graded vocal systems, and evaluates the complexity of communication patterns in relation with…

Machine Learning · Computer Science 2025-12-19 Luigi Assom

Structural kernels are a flexible learning paradigm that has been widely used in Natural Language Processing. However, the problem of model selection in kernel-based methods is usually overlooked. Previous approaches mostly rely on setting…

Computation and Language · Computer Science 2015-08-11 Daniel Beck , Trevor Cohn , Christian Hardmeier , Lucia Specia

Previous works show that Pre-trained Language Models (PLMs) can capture factual knowledge. However, some analyses reveal that PLMs fail to perform it robustly, e.g., being sensitive to the changes of prompts when extracting factual…

Computation and Language · Computer Science 2022-10-21 Shaobo Li , Xiaoguang Li , Lifeng Shang , Chengjie Sun , Bingquan Liu , Zhenzhou Ji , Xin Jiang , Qun Liu

Predicting three dimensional residue-residue contacts from evolutionary information in protein sequences was attempted already in the early 1990s. However, contact prediction accuracies of methods evaluated in CASP experiments before CASP11…

Biomolecules · Quantitative Biology 2018-10-16 Sanzo Miyazawa

A plethora of protein language models have been released in recent years. Yet comparatively little work has addressed how to best sample from them to optimize desired biological properties. We fill this gap by proposing a flexible,…

Machine Learning · Computer Science 2026-05-08 Calvin McCarter , Nick Bhattacharya , Sebastian W. Ober , Hunter Elliott

Recent advancements in pre-trained language models (PLMs) have demonstrated that these models possess some degree of syntactic awareness. To leverage this knowledge, we propose a novel chart-based method for extracting parse trees from…

Computation and Language · Computer Science 2023-06-02 Jiaxi Li , Wei Lu