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Models from the AlphaFold (AF) family reliably predict one dominant conformation for most well-ordered proteins but struggle to capture biologically relevant alternate states. Several efforts have focused on eliciting greater conformational…

Biomolecules · Quantitative Biology 2026-04-21 Minji Lee , Colin Kalicki , Minkyu Jeon , Aymen Qabel , Alisia Fadini , Mohammed AlQuraishi

Executing multiple tasks simultaneously in medical image analysis, including segmentation, classification, detection, and regression, often introduces significant challenges regarding model generalizability and the optimization of shared…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Hui Wan , Libin Lan

Accurate prediction of anthropometric body composition variables, such as Appendicular Lean Mass (ALM), Body Fat Percentage (BFP), and Bone Mineral Density (BMD), is essential for early diagnosis of several chronic diseases. Currently,…

Drug repurposing can accelerate the identification of effective compounds for clinical use against SARS-CoV-2, with the advantage of pre-existing clinical safety data and an established supply chain. RNA viruses such as SARS-CoV-2…

Persistent homology has been devised as a promising tool for the topological simplification of complex data. However, it is computationally intractable for large data sets. In this work, we introduce multiresolution persistent homology for…

Biomolecules · Quantitative Biology 2015-04-02 Kelin Xia , Zhixiong Zhao , Guo-Wei Wei

Large Language Models(LLMs) excel in general tasks but struggle in specialized domains like healthcare due to limited domain-specific knowledge.Supervised Fine-Tuning(SFT) data construction for domain adaptation often relies on heuristic…

Machine Learning · Computer Science 2025-09-19 Hongxin Ding , Yue Fang , Runchuan Zhu , Xinke Jiang , Jinyang Zhang , Yongxin Xu , Xu Chu , Junfeng Zhao , Yasha Wang

2. In Section 3, we used some vague statements to affirm the training process of the neural network, which cannot support others to reproduce the results of the paper. In addition, this section does not show the difference between this…

Optimization and Control · Mathematics 2020-07-01 Liang Xue , Jie Liu , Guilin Wen , Hongxin Wang

Accelerating deep model training and inference is crucial in practice. Existing deep learning frameworks usually concentrate on optimizing training speed and pay fewer attentions to inference-specific optimizations. Actually, model…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-08-12 Yongchao Liu , Yue Jin , Yong Chen , Teng Teng , Hang Ou , Rui Zhao , Yao Zhang

Genetic mutations frequently disrupt protein structure, stability, and solubility, acting as primary drivers for a wide spectrum of diseases. Despite the critical importance of these molecular alterations, existing computational models…

Spectral Theory · Mathematics 2026-01-21 Yiming Ren , Junjie Wee , Xi Chen , Grace Qian , Guo-Wei Wei

Deep learning-based diagnostic models often suffer performance drops due to distribution shifts between training (source) and test (target) domains. Collecting and labeling sufficient target domain data for model retraining represents an…

Computer Vision and Pattern Recognition · Computer Science 2025-07-02 Yaofei Duan , Yuhao Huang , Xin Yang , Luyi Han , Xinyu Xie , Zhiyuan Zhu , Ping He , Ka-Hou Chan , Ligang Cui , Sio-Kei Im , Dong Ni , Tao Tan

Deep learning (DL) has been widely applied to enhance automatic modulation classification (AMC). However, the elaborate AMC neural networks are susceptible to various adversarial attacks, which are challenging to handle due to the…

Signal Processing · Electrical Eng. & Systems 2025-09-22 Peihao Dong , Jingchun Wang , Shen Gao , Fuhui Zhou , Qihui Wu

This paper presents a federated learning (FL) approach to train an AI model for SARS-Cov-2 variant classification. We analyze the SARS-CoV-2 spike sequences in a distributed way, without data sharing, to detect different variants of this…

Machine Learning · Computer Science 2023-11-10 Prakash Chourasia , Taslim Murad , Zahra Tayebi , Sarwan Ali , Imdad Ullah Khan , Murray Patterson

Timely and rapid diagnoses are core to informing on optimum interventions that curb the spread of COVID-19. The use of medical images such as chest X-rays and CTs has been advocated to supplement the Reverse-Transcription Polymerase Chain…

Image and Video Processing · Electrical Eng. & Systems 2023-05-31 Ogechukwu Ukwandu , Hanan Hindy , Elochukwu Ukwandu

In the field of antibody engineering, an essential task is to design a novel antibody whose paratopes bind to a specific antigen with correct epitopes. Understanding antibody structure and its paratope can facilitate a mechanistic…

Quantitative Methods · Quantitative Biology 2023-05-08 Yining Wang , Xumeng Gong , Shaochuan Li , Bing Yang , YiWu Sun , Chuan Shi , Yangang Wang , Cheng Yang , Hui Li , Le Song

The acute respiratory distress syndrome (ARDS) is a severe form of hypoxemic respiratory failure with in-hospital mortality of 35-46%. High mortality is thought to be related in part to challenges in making a prompt diagnosis, which may in…

Machine Learning · Computer Science 2021-09-28 Gregory B. Rehm , Chao Wang , Irene Cortes-Puch , Chen-Nee Chuah , Jason Adams

While conventional computer vision emphasizes pixel-level and feature-based objectives, medical image analysis of intricate biological structures necessitates explicit representation of their complex topological properties. Despite their…

Image and Video Processing · Electrical Eng. & Systems 2024-12-31 Yousef Yeganeh , Rui Xiao , Goktug Guvercin , Nassir Navab , Azade Farshad

Accurate multi-class tubular modeling is critical for precise lesion localization and optimal treatment planning. Deep learning methods enable automated shape modeling by prioritizing volumetric overlap accuracy. However, the inherent…

Image and Video Processing · Electrical Eng. & Systems 2025-06-17 Minghui Zhang , Yaoyu Liu , Xin You , Hanxiao Zhang , Yun Gu

This paper presents a novel approach for predicting the relative populations of protein conformations using AlphaFold 2, an AI-powered method that has revolutionized biology by enabling the accurate prediction of protein structures. While…

Training deep models with limited annotations poses a significant challenge when applied to diverse practical domains. Employing semi-supervised learning alongside the self-supervised model offers the potential to enhance label efficiency.…

Computer Vision and Pattern Recognition · Computer Science 2024-11-05 Ziting Wen , Oscar Pizarro , Stefan Williams

Topology optimization (TO) is a popular and powerful computational approach for designing novel structures, materials, and devices. Two computational challenges have limited the applicability of TO to a variety of industrial applications.…

Computational Engineering, Finance, and Science · Computer Science 2020-12-01 Sirui Bi , Jiaxin Zhang , Guannan Zhang
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