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Characterizing interactions between drugs is important to avoid potentially harmful combinations, to reduce off-target effects of treatments and to fight antibiotic resistant pathogens, among others. Here we present a network inference…

Molecular Networks · Quantitative Biology 2014-11-07 Roger Guimera , Marta Sales-Pardo

We propose a network architecture capable of reliably estimating uncertainty of regression based predictions without sacrificing accuracy. The current state-of-the-art uncertainty algorithms either fall short of achieving prediction…

Machine Learning · Computer Science 2022-02-22 Kinjal Patel , Steven Waslander

Identification of drug-target interactions (DTIs) plays a key role in drug discovery. The high cost and labor-intensive nature of in vitro and in vivo experiments have highlighted the importance of in silico-based DTI prediction approaches.…

Quantitative Methods · Quantitative Biology 2019-09-11 Ingoo Lee , Jongsoo Keum , Hojung Nam

Deep neural networks usually benefit from unsupervised pre-training, e.g. auto-encoders. However, the classifier further needs supervised fine-tuning methods for good discrimination. Besides, due to the limits of full-connection, the…

Computer Vision and Pattern Recognition · Computer Science 2016-05-10 Hailin Shi , Xiangyu Zhu , Zhen Lei , Shengcai Liao , Stan Z. Li

Proteins congregate into complexes to perform fundamental cellular functions. Phenotypic outcomes, in health and disease, are often mechanistically driven by the remodeling of protein complexes by protein coding mutations or cellular…

Under certain statistical assumptions of noise, recent self-supervised approaches for denoising have been introduced to learn network parameters without true clean images, and these methods can restore an image by exploiting information…

Computer Vision and Pattern Recognition · Computer Science 2020-01-10 Seunghwan Lee , Donghyeon Cho , Jiwon Kim , Tae Hyun Kim

Automatically extracting Protein-Protein Interactions (PPI) from biomedical literature provides additional support for precision medicine efforts. This paper proposes a novel memory network-based model (MNM) for PPI extraction, which…

Computation and Language · Computer Science 2020-01-08 Huiwei Zhou , Zhuang Liu , Shixian Ning , Yunlong Yang , Chengkun Lang , Yingyu Lin , Kun Ma

Cold-start drug-target interaction (DTI) prediction focuses on interaction between novel drugs and proteins. Previous methods typically learn transferable interaction patterns between structures of drug and proteins to tackle it. However,…

Machine Learning · Computer Science 2025-10-07 Ziying Zhang , Yaqing Wang , Yuxuan Sun , Min Ye , Quanming Yao

The robustness of image recognition algorithms remains a critical challenge, as current models often depend on large quantities of labeled data. In this paper, we propose a hybrid approach that combines the adaptability of neural networks…

Computer Vision and Pattern Recognition · Computer Science 2025-03-26 Sina Ditzel , Achref Jaziri , Iuliia Pliushch , Visvanathan Ramesh

Motivation: Predicting the drug-target interaction is crucial for drug discovery as well as drug repurposing. Machine learning is commonly used in drug-target affinity (DTA) problem. However, machine learning model faces the cold-start…

Biomolecules · Quantitative Biology 2022-02-03 Tri Minh Nguyen , Thin Nguyen , Truyen Tran

We introduce Bi-GNN for modeling biological link prediction tasks such as drug-drug interaction (DDI) and protein-protein interaction (PPI). Taking drug-drug interaction as an example, existing methods using machine learning either only…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 Yunsheng Bai , Ken Gu , Yizhou Sun , Wei Wang

Latest diffusion models have shown promising results in category-level 6D object pose estimation by modeling the conditional pose distribution with depth image input. The existing methods, however, suffer from slow convergence during…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Seunghyun Lee , Tae-Kyun Kim

Introduction Accurate prediction of protein-protein interactions (PPIs) is crucial for understanding cellular functions and advancing drug development. Existing in-silico methods use direct sequence embeddings from Protein Language Models…

Machine Learning · Computer Science 2025-10-17 Islam Akef Ebeid , Haoteng Tang , Pengfei Gu

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

We present a representation learning method that learns features at multiple different levels of scale. Working within the unsupervised framework of denoising autoencoders, we observe that when the input is heavily corrupted during…

Machine Learning · Computer Science 2015-04-14 Krzysztof J. Geras , Charles Sutton

Automatically learning features, especially robust features, has attracted much attention in the machine learning community. In this paper, we propose a new method to learn non-linear robust features by taking advantage of the data manifold…

Machine Learning · Computer Science 2017-05-29 Yanan Li , Donghui Wang

Enhancer-promoter interactions (EPIs) regulate the expression of specific genes in cells, and EPIs are important for understanding gene regulation, cell differentiation and disease mechanisms. EPI identification through the wet experiments…

Genomics · Quantitative Biology 2021-01-01 Shuai Liu , Xinran Xu , Zhihao Yang , Xiaohan Zhao , Wen Zhang

In this work we address disentanglement of style and content in speech signals. We propose a fully convolutional variational autoencoder employing two encoders: a content encoder and a style encoder. To foster disentanglement, we propose…

Audio and Speech Processing · Electrical Eng. & Systems 2021-03-12 Janek Ebbers , Michael Kuhlmann , Tobias Cord-Landwehr , Reinhold Haeb-Umbach

Protein-protein and protein nucleic acid interactions are vitally important for a wide range of biological processes, including regulation of gene expression, protein synthesis, and replication and assembly of many viruses. We have…

Machine Learning · Computer Science 2007-05-23 Michael Terribilini , Jae-Hyung Lee , Changhui Yan , Robert L. Jernigan , Susan Carpenter , Vasant Honavar , Drena Dobbs

Fingerprint image denoising is a very important step in fingerprint identification. to improve the denoising effect of fingerprint image,we have designs a fingerprint denoising algorithm based on deep encoder-decoder network,which encoder…

Computer Vision and Pattern Recognition · Computer Science 2020-05-05 Weiya Fan