English
Related papers

Related papers: Optimizing Mirror-Image Peptide Sequence Design fo…

200 papers

Mixup~\cite{zhang2017mixup} is a recently proposed method for training deep neural networks where additional samples are generated during training by convexly combining random pairs of images and their associated labels. While simple to…

Machine Learning · Statistics 2020-01-08 Sunil Thulasidasan , Gopinath Chennupati , Jeff Bilmes , Tanmoy Bhattacharya , Sarah Michalak

Semi-supervised learning utilizes insights from unlabeled data to improve model generalization, thereby reducing reliance on large labeled datasets. Most existing studies focus on limited samples and fail to capture the overall data…

Computer Vision and Pattern Recognition · Computer Science 2025-03-13 Xiuzhen Guo , Lianyuan Yu , Ji Shi , Na Lei , Hongxiao Wang

Materials synthesis platforms that are designed for autonomous experimentation are capable of collecting multimodal diagnostic data that can be utilized for feedback to optimize material properties. Pulsed laser deposition (PLD) is emerging…

Materials Science · Physics 2024-11-01 Sumner B. Harris , Christopher M. Rouleau , Kai Xiao , Rama K. Vasudevan

Data augmentation for domain-specific image classification tasks often struggles to simultaneously address diversity, faithfulness, and label clarity of generated data, leading to suboptimal performance in downstream tasks. While existing…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Yixuan Dong , Fang-Yi Su , Jung-Hsien Chiang

Feedforward multilayer networks trained by supervised learning have recently demonstrated state of the art performance on image labeling problems such as boundary prediction and scene parsing. As even very low error rates can limit…

Computer Vision and Pattern Recognition · Computer Science 2013-12-09 Gary B. Huang , Viren Jain

The cornerstone of computational drug design is the calculation of binding affinity between two biological counterparts, especially a chemical compound, i.e., a ligand, and a protein. Predicting the strength of protein-ligand binding with…

Biomolecules · Quantitative Biology 2019-12-04 Yanjun Li , Mohammad A. Rezaei , Chenglong Li , Xiaolin Li , Dapeng Wu

Proteins are the main workhorses of biological functions in a cell, a tissue, or an organism. Identification and quantification of proteins in a given sample, e.g. a cell type under normal/disease conditions, are fundamental tasks for the…

Computational Engineering, Finance, and Science · Computer Science 2017-10-10 Ngoc Hieu Tran , Zachariah Levine , Lei Xin , Baozhen Shan , Ming Li

Image-guided depth completion aims at generating a dense depth map from sparse LiDAR data and RGB image. Recent methods have shown promising performance by reformulating it as a classification problem with two sub-tasks: depth…

Computer Vision and Pattern Recognition · Computer Science 2024-05-16 Zhiwen Yang , Jiehua Zhang , Liang Li , Chenggang Yan , Yaoqi Sun , Haibing Yin

Accurate training labels are a key component for multi-class medical image segmentation. Their annotation is costly and time-consuming because it requires domain expertise. This work aims to develop a dual-branch network and automatically…

Computer Vision and Pattern Recognition · Computer Science 2024-03-07 Jianfei Liu , Christopher Parnell , Ronald M. Summers

Conventional Supervised Learning approaches focus on the mapping from input features to output labels. After training, the learnt models alone are adapted onto testing features to predict testing labels in isolation, with training data…

Machine Learning · Computer Science 2021-06-16 Yi Luo , Aiguo Chen , Bei Hui , Ke Yan

Protein-ligand binding affinity (PLBA) prediction is the fundamental task in drug discovery. Recently, various deep learning-based models predict binding affinity by incorporating the three-dimensional structure of protein-ligand complexes…

Biomolecules · Quantitative Biology 2023-12-21 Jiaxian Yan , Zhaofeng Ye , Ziyi Yang , Chengqiang Lu , Shengyu Zhang , Qi Liu , Jiezhong Qiu

Labeling medical images depends on professional knowledge, making it difficult to acquire large amount of annotated medical images with high quality in a short time. Thus, making good use of limited labeled samples in a small dataset to…

Computer Vision and Pattern Recognition · Computer Science 2022-10-04 Peng Jiang , Juan Liu , Lang Wang , Zhihui Ynag , Hongyu Dong , Jing Feng

Peptide design plays a pivotal role in therapeutics, allowing brand new possibility to leverage target binding sites that are previously undruggable. Most existing methods are either inefficient or only concerned with the target-agnostic…

Biomolecules · Quantitative Biology 2024-10-31 Xiangzhe Kong , Yinjun Jia , Wenbing Huang , Yang Liu

Predicting accurate protein-ligand binding affinity is important in drug discovery but remains a challenge even with computationally expensive biophysics-based energy scoring methods and state-of-the-art deep learning approaches. Despite…

With the development of 3D and 2D data acquisition techniques, it has become easy to obtain point clouds and images of scenes simultaneously, which further facilitates dual-modal semantic segmentation. Most existing methods for…

Computer Vision and Pattern Recognition · Computer Science 2024-09-23 Qiulei Dong , Jianan Li , Shuang Deng

Liquid chromatography with tandem mass spectrometry (LC-MS/MS) based proteomics is a well-established research field with major applications such as identification of disease biomarkers, drug discovery, drug design and development. In…

Quantitative Methods · Quantitative Biology 2018-01-08 Fatema Tuz Zohora , Ngoc Hieu Tran , Xianglilan Zhang , Lei Xin , Baozhen Shan , Ming Li

We investigate whether synthetic images generated by diffusion models can enhance multi-label classification of protein subcellular localization. Specifically, we implement a simplified class-conditional denoising diffusion probabilistic…

Computer Vision and Pattern Recognition · Computer Science 2025-05-30 Sylvey Lin , Zhi-Yi Cao

Despite the remarkable performance of supervised medical image segmentation models, relying on a large amount of labeled data is impractical in real-world situations. Semi-supervised learning approaches aim to alleviate this challenge using…

Computer Vision and Pattern Recognition · Computer Science 2025-09-17 Yunyao Lu , Yihang Wu , Ahmad Chaddad , Tareef Daqqaq , Reem Kateb

Metaproteomics are becoming widely used in microbiome research for gaining insights into the functional state of the microbial community. Current metaproteomics studies are generally based on high-throughput tandem mass spectrometry (MS/MS)…

Quantitative Methods · Quantitative Biology 2020-09-24 Xuan Guo , Shichao Feng

Training state-of-the-art (SOTA) deep models often requires extensive data, resulting in substantial training and storage costs. To address these challenges, dataset condensation has been developed to learn a small synthetic set that…

Computer Vision and Pattern Recognition · Computer Science 2024-02-27 Hansong Zhang , Shikun Li , Pengju Wang , Dan Zeng , Shiming Ge