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Protein language models (PLMs) have emerged as powerful tools to detect complex patterns of protein sequences. However, the capability of PLMs to fully capture information on protein sequences might be limited by focusing on single…

Machine Learning · Computer Science 2025-05-27 Hazem Alsamkary , Mohamed Elshaffei , Mohamed Elkerdawy , Ahmed Elnaggar

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

Machine learning has affected the way in which many phenomena for various domains are modelled, one of these domains being that of structural dynamics. However, because machine-learning algorithms are problem-specific, they often fail to…

Machine Learning · Computer Science 2024-01-08 G. Tsialiamanis , N. Dervilis , D. J. Wagg , K. Worden

Prognostic information is essential for decision-making in breast cancer management. Recently trials have predominantly focused on genomic prognostication tools, even though clinicopathological prognostication is less costly and more widely…

Proteins are complex biomolecules that play a central role in various biological processes, making them critical targets for breakthroughs in molecular biology, medical research, and drug discovery. Deciphering their intricate, hierarchical…

Machine Learning · Computer Science 2025-05-09 Viet Thanh Duy Nguyen , Truong-Son Hy

Most uses of machine learning today involve training a model from scratch for a particular task, or sometimes starting with a model pretrained on a related task and then fine-tuning on a downstream task. Both approaches offer limited…

Machine Learning · Computer Science 2022-05-26 Andrea Gesmundo , Jeff Dean

We present a novel Balanced Incremental Model Agnostic Meta Learning system (BI-MAML) for learning multiple tasks. Our method implements a meta-update rule to incrementally adapt its model to new tasks without forgetting old tasks. Such a…

Machine Learning · Computer Science 2020-06-16 Yang Zheng , Jinlin Xiang , Kun Su , Eli Shlizerman

Accurate estimation of mutational effects on protein-protein binding energies is an open problem with applications in structural biology and therapeutic design. Several deep learning predictors for this task have been proposed, but,…

Biomolecules · Quantitative Biology 2025-07-09 Arthur Deng , Karsten Householder , Fang Wu , Sebastian Thrun , K. Christopher Garcia , Brian Trippe

Recent advances in machine learning (ML) methods have led to substantial improvement in materials property prediction against community benchmarks, but an excellent benchmark score may not imply good generalization of performance. Here we…

Materials Science · Physics 2023-04-26 Kangming Li , Brian DeCost , Kamal Choudhary , Michael Greenwood , Jason Hattrick-Simpers

This paper introduces Domain Generalization Sharpness-Aware Minimization Model-Agnostic Meta-Learning (DGS-MAML), a novel meta-learning algorithm designed to generalize across tasks with limited training data. DGS-MAML combines gradient…

Machine Learning · Computer Science 2025-08-14 Usman Anjum , Chris Stockman , Cat Luong , Justin Zhan

Despite their prevalence in deep-learning communities, over-parameterized models convey high demands of computational costs for proper training. This work studies the fine-grained, modular-level learning dynamics of over-parameterized…

Identifying bio-signals based-sleep stages requires time-consuming and tedious labor of skilled clinicians. Deep learning approaches have been introduced in order to challenge the automatic sleep stage classification conundrum. However, the…

Deep learning models require a large amount of data to perform well. When data is scarce for a target task, we can transfer the knowledge gained by training on similar tasks to quickly learn the target. A successful approach is…

Machine Learning · Computer Science 2021-03-18 Alberto Bernacchia

Background and objective: Employing deep learning models in critical domains such as medical imaging poses challenges associated with the limited availability of training data. We present a strategy for improving the performance and…

Computer Vision and Pattern Recognition · Computer Science 2024-03-27 Eva Pachetti , Sotirios A. Tsaftaris , Sara Colantonio

Pre-trained protein models (PTPMs) represent a protein with one fixed embedding and thus are not capable for diverse tasks. For example, protein structures can shift, namely protein folding, between several conformations in various…

Artificial Intelligence · Computer Science 2022-02-08 Qiang Zhang , Zeyuan Wang , Yuqiang Han , Haoran Yu , Xurui Jin , Huajun Chen

Viral infections are causing significant morbidity and mortality worldwide. Understanding the interaction patterns between a particular virus and human proteins plays a crucial role in unveiling the underlying mechanism of viral infection…

Machine Learning · Computer Science 2021-11-30 Thi Ngan Dong , Graham Brogden , Gisa Gerold , Megha Khosla

While deep generative models show promise for learning inverse protein folding directly from data, the lack of publicly available structure-sequence pairings limits their generalization. Previous improvements and data augmentation efforts…

Artificial Intelligence · Computer Science 2024-07-23 Jiangbin Zheng , Stan Z. Li

Accurate bead geometry prediction in laser-directed energy deposition (L-DED) is often hindered by the scarcity and heterogeneity of experimental datasets collected under different materials, machine configurations, and process parameters.…

Machine Learning · Computer Science 2025-12-30 Abdul Malik Al Mardhouf Al Saadi , Amrita Basak

Masked language modelling (MLM) as a pretraining objective has been widely adopted in genomic sequence modelling. While pretrained models can successfully serve as encoders for various downstream tasks, the distribution shift between…

Machine Learning · Computer Science 2025-02-26 Monireh Safari , Pablo Millan Arias , Scott C. Lowe , Lila Kari , Angel X. Chang , Graham W. Taylor

High-dimensional tensor models are notoriously computationally expensive to train. We present a meta-learning algorithm, MMT, that can significantly speed up the process for spatial tensor models. MMT leverages the property that spatial…

Machine Learning · Computer Science 2018-03-01 Stephan Zheng , Rose Yu , Yisong Yue
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