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Continual fine-tuning aims to adapt a pre-trained backbone to new tasks sequentially while preserving performance on earlier tasks whose data are no longer available. Existing approaches fall into two categories which include input- and…

Machine Learning · Computer Science 2026-03-17 Hang Thi-Thuy Le , Long Minh Bui , Minh Hoang , Trong Nghia Hoang

Machine learning classification tasks often benefit from predicting a set of possible labels with confidence scores to capture uncertainty. However, existing methods struggle with the high-dimensional nature of the data and the lack of…

Machine Learning · Computer Science 2024-07-08 Rui Luo , Zhixin Zhou

Probabilistic inference provides a language for describing how organisms may learn from and adapt to their environment. The computations needed to implement probabilistic inference often require specific representations, akin to having the…

Molecular Networks · Quantitative Biology 2018-06-28 Yarden Katz , Michael Springer , Walter Fontana

In Proteomics, only the de novo peptide sequencing approach allows a partial amino acid sequence of a peptide to be found from a MS/MS spectrum. In this article a preliminary work is presented to discover a complete protein sequence from…

Quantitative Methods · Quantitative Biology 2008-12-18 Jean-Charles Boisson , Laetitia Jourdan , El-Ghazali Talbi , Christian Rolando

We are now witnessing significant progress of deep learning methods in a variety of tasks (or datasets) of proteins. However, there is a lack of a standard benchmark to evaluate the performance of different methods, which hinders the…

Machine Learning · Computer Science 2022-09-20 Minghao Xu , Zuobai Zhang , Jiarui Lu , Zhaocheng Zhu , Yangtian Zhang , Chang Ma , Runcheng Liu , Jian Tang

Discovery gene-disease links is important in biology and medicine areas, enabling disease identification and drug repurposing. Machine learning approaches accelerate this process by leveraging biological knowledge represented in ontologies…

Machine Learning · Computer Science 2025-04-14 Catarina Canastra , Cátia Pesquita

We propose an effective method to improve Protein Function Prediction (PFP) utilizing hierarchical features of Gene Ontology (GO) terms. Our method consists of a language model for encoding the protein sequence and a Graph Convolutional…

Artificial Intelligence · Computer Science 2021-12-07 Kyudam Choi , Yurim Lee , Cheongwon Kim , Minsung Yoon

Two proteins are homologous if they have a common evolutionary origin, and the binary classification problem is to identify proteins in a candidate set that are homologous to a particular native protein. The feature (explanatory) variables…

Machine Learning · Statistics 2019-09-11 Jabed H Tomal , William J Welch , Ruben H Zamar

Citation matching is a challenging task due to different problems such as the variety of citation styles, mistakes in reference strings and the quality of identified reference segments. The classic citation matching configuration used in…

Digital Libraries · Computer Science 2019-06-12 Behnam Ghavimi , Wolfgang Otto , Philipp Mayr

The remarkable success of AlphaFold2 in providing accurate atomic-level prediction of protein structures from their amino acid sequence has transformed approaches to the protein folding problem. However, its core paradigm of mapping one…

Applications · Statistics 2025-12-12 Yongkai Chen , Samuel WK Wong , SC Kou

In machine learning, classification is usually seen as a function approximation problem, where the goal is to learn a function that maps input features to class labels. In this paper, we propose a novel clustering and classification…

Machine Learning · Computer Science 2025-02-25 Hrushikesh Mhaskar , Ryan O'Dowd , Efstratios Tsoukanis

The advent of highly accurate protein structure prediction methods has fueled an exponential expansion of the protein structure database. Consequently, there is a rising demand for rapid and precise structural homolog search. Traditional…

Biomolecules · Quantitative Biology 2023-12-01 Yuan Liu , Hong-Bin Shen

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its…

Biomolecules · Quantitative Biology 2024-02-09 Zuobai Zhang , Jiarui Lu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Among several quantitative invariants found in evolutionary genomics, one of the most striking is the scaling of the overall abundance of proteins, or protein domains, sharing a specific functional annotation across genomes of given size.…

Genomics · Quantitative Biology 2017-03-30 Eleonora de Lazzari , Jacopo Grilli , Sergei Maslov , Marco Cosentino Lagomarsino

Genomic signal processing has been used successfully in bioinformatics to analyze biomolecular sequences and gain varied insights into DNA structure, gene organization, protein binding, sequence evolution, etc. But challenges remain in…

Genomics · Quantitative Biology 2022-11-04 Saish Jaiswal , Shreya Nema , Hema A Murthy , Manikandan Narayanan

A good feature representation is a determinant factor to achieve high performance for many machine learning algorithms in terms of classification. This is especially true for techniques that do not build complex internal representations of…

Neural and Evolutionary Computing · Computer Science 2019-08-22 Noëlie Cherrier , Jean-Philippe Poli , Maxime Defurne , Franck Sabatié

The biological functions of proteins often depend on dynamic structural ensembles. In this work, we develop a flow-based generative modeling approach for learning and sampling the conformational landscapes of proteins. We repurpose highly…

Biomolecules · Quantitative Biology 2024-09-04 Bowen Jing , Bonnie Berger , Tommi Jaakkola

When analyzing the genome, researchers have discovered that proteins bind to DNA based on certain patterns of the DNA sequence known as "motifs". However, it is difficult to manually construct motifs due to their complexity. Recently,…

Machine Learning · Computer Science 2017-02-23 Jack Lanchantin , Ritambhara Singh , Yanjun Qi

Understanding the structural and functional characteristics of proteins are crucial for developing preventative and curative strategies that impact fields from drug discovery to policy development. An important and popular technique for…

Machine Learning · Computer Science 2024-10-17 Sarwan Ali , Taslim Murad , Prakash Chourasia , Haris Mansoor , Imdad Ullah Khan , Pin-Yu Chen , Murray Patterson

This paper aims to retrieve proteins with similar structures and semantics from large-scale protein dataset, facilitating the functional interpretation of protein structures derived by structural determination methods like cryo-Electron…

Biomolecules · Quantitative Biology 2025-06-11 Qifeng Wu , Zhengzhe Liu , Han Zhu , Yizhou Zhao , Daisuke Kihara , Min Xu