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Foundation models (FMs) are able to leverage large volumes of unlabeled data to demonstrate superior performance across a wide range of tasks. However, FMs developed for biomedical domains have largely remained unimodal, i.e., independently…

We introduce a unified Python package for the prediction of protein biophysical properties, streamlining previous tools developed by the Bio2Byte research group. This suite facilitates comprehensive assessments of protein characteristics,…

Quantitative Methods · Quantitative Biology 2024-07-10 Jose Gavalda-Garcia , Adrian Diaz , Wim Vranken

A wide range of engineering applications uses optimisation techniques as part of their solution process. The researcher uses specialized software that implements well-known optimisation techniques to solve his problem. However, when it…

Biometrics-related research has been accelerated significantly by deep learning technology. However, there are limited open-source resources to help researchers evaluate their deep learning-based biometrics algorithms efficiently,…

Computer Vision and Pattern Recognition · Computer Science 2019-02-04 Xiang Xu , Ioannis A. Kakadiaris

Over the last two decades, the field of computational science has seen a dramatic shift towards incorporating high-throughput computation and big-data analysis as fundamental pillars of the scientific discovery process. This has…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-11-18 Martin Uhrin , Sebastiaan P. Huber , Jusong Yu , Nicola Marzari , Giovanni Pizzi

Recent advances in both theory and methods have created opportunities to simulate biomolecular processes more efficiently using adaptive ensemble simulations. Ensemble-based simulations are used widely to compute a number of individual…

Computational Engineering, Finance, and Science · Computer Science 2020-09-14 Vivek Balasubramanian , Travis Jensen , Matteo Turilli , Peter Kasson , Michael Shirts , Shantenu Jha

Analysis of genomics data is central to nearly all areas of modern biology. Despite significant progress in artificial intelligence (AI) and computational methods, these technologies require significant human oversight to generate novel and…

With the agile development process of most academic and corporate entities, designing a robust computational back-end system that can support their ever-changing data needs is a constantly evolving challenge. We propose the implementation…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-07 Conor Flynn , Kristin P. Bennett , John S. Erickson , Aaron Green , Oshani Seneviratne

The phase field model can accurately simulate the evolution of microstructures with complex morphologies, and it has been widely used for cell modeling in the last two decades. However, compared to other cellular models such as the…

Biological Physics · Physics 2022-06-13 Xiangyu Kuang , Guoye Guan , Chao Tang , Lei Zhang

The most important way to achieve higher performance in computer systems is through heterogeneous computing, i.e., by adopting hardware platforms containing more than one type of processor, such as CPUs, GPUs, and FPGAs. Several types of…

Software Engineering · Computer Science 2020-05-19 Hugo Andrade , Ivica Crnkovic , Jan Bosch

While scaling laws promise significant performance gains for recommender systems, efficiently deploying hyperscale models remains a major unsolved challenge. In contrast to fields where FMs are already widely adopted such as natural…

Information Retrieval · Computer Science 2025-08-08 Dai Li , Kevin Course , Wei Li , Hongwei Li , Jie Hua , Yiqi Chen , Zhao Zhu , Rui Jian , Xuan Cao , Bi Xue , Yu Shi , Jing Qian , Kai Ren , Matt Ma , Qunshu Zhang , Rui Li

Component-Based Development (CBD) is a popular approach to mitigating the costs of creating software systems. However, it is not clear to what extent the core component selection and adaptation activities of CBD can be implemented to…

Software Engineering · Computer Science 2022-05-11 Todd Wareham , Marieke Sweers

Open-source, multilingual medical large language models (LLMs) have the potential to serve linguistically diverse populations across different regions. Adapting generic LLMs for healthcare often requires continual pretraining, but this…

Computation and Language · Computer Science 2024-09-10 Meng Zhou , Surajsinh Parmar , Anubhav Bhatti

Many recently introduced enhanced sampling techniques are based on biasing coarse descriptors (collective variables) of a molecular system on the fly. Sometimes the calculation of such collective variables is expensive and becomes a…

Computational Physics · Physics 2015-09-01 Marco Jacopo Ferrarotti , Sandro Bottaro , Andrea Pérez-Villa , Giovanni Bussi

Federated learning leverages data across institutions to improve clinical discovery while complying with data-sharing restrictions and protecting patient privacy. This paper provides a gentle introduction to this approach in bioinformatics,…

Client heterogeneity poses significant challenges to the performance of Quantum Federated Learning (QFL). To overcome these limitations, we propose a new approach leveraging deep unfolding, which enables clients to autonomously optimize…

Machine Learning · Computer Science 2025-06-26 Shanika Iroshi Nanayakkara , Shiva Raj Pokhrel

This paper presents a new modeling strategy for joint unsupervised analysis of multiple high-throughput biological studies. As in Multi-study Factor Analysis, our goals are to identify both common factors shared across studies and…

Applications · Statistics 2018-06-27 Roberta De Vito , Ruggero Bellio , Lorenzo Trippa , Giovanni Parmigiani

A bioinformatics platform is introduced aimed at identifying models of disease-specific pathways, as well as a set of network measures that can quantify changes in terms of global structure or single link disruptions.The approach integrates…

Molecular Networks · Quantitative Biology 2012-01-17 A. Barla , S. Riccadonna , S. Masecchia , M. Squillario , M. Filosi , G. Jurman , C. Furlanello

The process of engineering and deploying applications in the edge/embedded space is massively complicated by the non-homogeneous nature of the software stack and the complexity of diagnostics & debugging. Often different languages and…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-15 Anthony Arnold , Mark Marron

The advent of modern data processing has led to an increasing tendency towards interdisciplinarity, which frequently involves the importation of different technical approaches. Consequently, there is an urgent need for a unified data…

Machine Learning · Computer Science 2024-06-04 Chen Zhang , Lecheng Jia , Wei Zhang , Ning Wen