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A suitable piece of software is presented to connect Abaqus, a sophisticated finite element package, with Matlab, the most comprehensive program for mathematical analysis. This interface between these well-known codes not only benefits from…

Mathematical Software · Computer Science 2017-11-29 George Papazafeiropoulos , Miguel Muñiz-Calvente , Emilio Martínez-Pañeda

Inverse protein folding is a fundamental task in computational protein design, which aims to design protein sequences that fold into the desired backbone structures. While the development of machine learning algorithms for this task has…

Machine Learning · Computer Science 2024-11-05 Yiheng Zhu , Jialu Wu , Qiuyi Li , Jiahuan Yan , Mingze Yin , Wei Wu , Mingyang Li , Jieping Ye , Zheng Wang , Jian Wu

Somatic mutations, or alterations in DNA of a somatic cell, are key markers of cancer. In recent years, mutational signature analysis has become a prominent field of study within cancer research, commonly with Nonnegative Matrix…

Quantitative Methods · Quantitative Biology 2025-07-01 Iris Lang , Jenna Landy , Giovanni Parmigiani

In recent years, deep neural networks have showcased their predictive power across a variety of tasks. Beyond natural language processing, the transformer architecture has proven efficient in addressing tabular data problems and challenges…

Machine Learning · Computer Science 2025-04-14 Anton Thielmann , Arik Reuter , Benjamin Saefken

Visual Multi-Object Tracking (MOT) is a crucial component of robotic perception, yet existing Tracking-By-Detection (TBD) methods often rely on 2D cues, such as bounding boxes and motion modeling, which struggle under occlusions and…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Buyin Deng , Lingxin Huang , Kai Luo , Fei Teng , Kailun Yang

Real-world problems are often dependent on multiple data modalities, making multimodal fusion essential for leveraging diverse information sources. In high-stakes domains, such as in healthcare, understanding how each modality contributes…

Neural and Evolutionary Computing · Computer Science 2025-05-19 Mafalda Malafaia , Thalea Schlender , Tanja Alderliesten , Peter A. N. Bosman

Mass spectra, which are agglomerations of ionized fragments from targeted molecules, play a crucial role across various fields for the identification of molecular structures. A prevalent analysis method involves spectral library…

Machine Learning · Computer Science 2023-06-29 Jiwon Park , Jeonghee Jo , Sungroh Yoon

Circular RNAs (circRNAs) are important components of the non-coding RNA regulatory network. Previous circRNA identification primarily relies on high-throughput RNA sequencing (RNA-seq) data combined with alignment-based algorithms that…

Machine Learning · Computer Science 2025-07-14 Tianyou Jiang

Developing foundation models in medical imaging requires continuous monitoring of downstream performance. Researchers are burdened with tracking numerous experiments, design choices, and their effects on performance, often relying on…

Computer Vision and Pattern Recognition · Computer Science 2026-04-02 Jan Tagscherer , Sarah de Boer , Lena Philipp , Fennie van der Graaf , Dré Peeters , Joeran Bosma , Lars Leijten , Bogdan Obreja , Ewoud Smit , Alessa Hering

The availability of handy multi-modal (i.e., RGB-D) sensors has brought about a surge of face anti-spoofing research. However, the current multi-modal face presentation attack detection (PAD) has two defects: (1) The framework based on…

Computer Vision and Pattern Recognition · Computer Science 2023-05-08 Ajian Liu , Zichang Tan , Zitong Yu , Chenxu Zhao , Jun Wan , Yanyan Liang , Zhen Lei , Du Zhang , Stan Z. Li , Guodong Guo

Motif extraction is an important task in motif based molecular representation learning. Previously, machine learning approaches employing either rule-based or string-based techniques to extract motifs. Rule-based approaches may extract…

Quantitative Methods · Quantitative Biology 2023-12-27 Zhaoning Yu , Hongyang Gao

AI-synthesized text and images have gained significant attention, particularly due to the widespread dissemination of multi-modal manipulations on the internet, which has resulted in numerous negative impacts on society. Existing methods…

Computer Vision and Pattern Recognition · Computer Science 2024-10-28 Jiazhen Wang , Bin Liu , Changtao Miao , Zhiwei Zhao , Wanyi Zhuang , Qi Chu , Nenghai Yu

Background: Mining gene modules from genomic data is an important step to detect gene members of pathways or other relations such as protein-protein interactions. In this work, we explore the plausibility of detecting gene modules by…

Machine Learning · Computer Science 2017-05-12 YaoGong Zhang , YingJie Xu , Xin Fan , YuXiang Hong , Jiahui Liu , ZhiCheng He , YaLou Huang , MaoQiang Xie

Artificial neural networks show promising performance in detecting correlations within data that are associated with specific outcomes. However, the black-box nature of such models can hinder the knowledge advancement in research fields by…

Machine Learning · Computer Science 2023-10-09 Jonas C. Ditz , Bernhard Reuter , Nico Pfeifer

Mutation testing is an approach to check the robustness of test suites. The program code is slightly changed by mutations to inject errors. A test suite is robust enough if it finds such errors. Tools for mutation testing usually integrate…

Software Engineering · Computer Science 2024-04-23 Christoph Bockisch , Gabriele Taentzer , Daniel Neufeld

Spectral fingerprints (SFs) are unique power spectra signatures of human brain regions of interest (ROIs, Keitel & Gross, 2016). SFs allow for accurate ROI identification and can serve as biomarkers of differences exhibited by…

An accurate AI-based diagnostic system for induction motors (IMs) holds the potential to enhance proactive maintenance, mitigating unplanned downtime and curbing overall maintenance costs within an industrial environment. Notably, among the…

Machine Learning · Computer Science 2025-10-20 Usman Ali

In protein engineering, while computational models are increasingly used to predict mutation effects, their evaluations primarily rely on high-throughput deep mutational scanning (DMS) experiments that use surrogate readouts, which may not…

Quantitative Methods · Quantitative Biology 2025-03-11 Liang Zhang , Hua Pang , Chenghao Zhang , Song Li , Yang Tan , Fan Jiang , Mingchen Li , Yuanxi Yu , Ziyi Zhou , Banghao Wu , Bingxin Zhou , Hao Liu , Pan Tan , Liang Hong

In science, we are interested not only in forecasting but also in understanding how predictions are made, specifically what the interpretable underlying model looks like. Data-driven machine learning technology can significantly streamline…

Symbolic Computation · Computer Science 2025-05-29 Weiting Liu , Jiaxu Cui , Jiao Hu , En Wang , Bo Yang

Predicting the ground-state 3D molecular conformations from 2D molecular graphs is critical in computational chemistry due to its profound impact on molecular properties. Deep learning (DL) approaches have recently emerged as promising…

Chemical Physics · Physics 2024-10-22 Taewon Kim , Hyunjin Seo , Sungsoo Ahn , Eunho Yang
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