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We present a scalable approach for semi-supervised learning on graph-structured data that is based on an efficient variant of convolutional neural networks which operate directly on graphs. We motivate the choice of our convolutional…

Machine Learning · Computer Science 2017-02-23 Thomas N. Kipf , Max Welling

Convolutional Neural Networks (CNNs) have gained a significant attraction in the recent years due to their increasing real-world applications. Their performance is highly dependent to the network structure and the selected optimization…

Neural and Evolutionary Computing · Computer Science 2019-10-01 Parsa Esfahanian , Mohammad Akhavan

Automatic building extraction from optical imagery remains a challenge due to, for example, the complexity of building shapes. Semantic segmentation is an efficient approach for this task. The latest development in deep convolutional neural…

Computer Vision and Pattern Recognition · Computer Science 2019-11-11 Yilei Shi , Qingyu Li , Xiao Xiang Zhu

Subgraph classification is an emerging field in graph representation learning where the task is to classify a group of nodes (i.e., a subgraph) within a graph. Subgraph classification has applications such as predicting the cellular…

Machine Learning · Computer Science 2023-04-19 Shweta Ann Jacob , Paul Louis , Amirali Salehi-Abari

We consider Convolutional Neural Networks (CNNs) with 2D structured features that are symmetric in the spatial dimensions. Such networks arise in modeling pairwise relationships for a sequential recommendation problem, as well as secondary…

Machine Learning · Statistics 2022-03-07 Kehelwala Dewage Gayan Maduranga , Vasily Zadorozhnyy , Qiang Ye

Inferring missing links or detecting spurious ones based on observed graphs, known as link prediction, is a long-standing challenge in graph data analysis. With the recent advances in deep learning, graph neural networks have been used for…

Social and Information Networks · Computer Science 2023-01-03 Xingping Xian , Tao Wu , Xiaoke Ma , Shaojie Qiao , Yabin Shao , Chao Wang , Lin Yuan , Yu Wu

Invariance has recently proven to be a powerful inductive bias in machine learning models. One such class of predictive or generative models are tensor networks. We introduce a new numerical algorithm to construct a basis of tensors that…

Machine Learning · Computer Science 2024-07-02 Brent Sprangers , Nick Vannieuwenhoven

Tumour heterogeneity in breast cancer poses challenges in predicting outcome and response to therapy. Spatial transcriptomics technologies may address these challenges, as they provide a wealth of information about gene expression at the…

Image and Video Processing · Electrical Eng. & Systems 2023-09-19 Md Mamunur Rahaman , Ewan K. A. Millar , Erik Meijering

Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Protein structure classification (PSC) uses supervised learning to predict a protein's CATH/SCOP(e) class from the protein's sequence or 3D structural feature(s). We already modeled 3D structures as (static) protein structure networks…

Machine Learning · Computer Science 2026-05-29 Aydin Wells , Francis A. Gatsi , Aaron Striegel , Tijana Milenković

The GOR program for predicting protein secondary structure is extended to include triple correlation. A score system for a residue pair to be at certain conformation state is derived from the conditional weight matrix describing amino acid…

Biological Physics · Physics 2007-05-23 Xin Liu , Li-mei Zhang , Wei-Mou Zheng

Predicting protein structure from the amino acid sequence has been a challenge with theoretical and practical significance in biophysics. Despite the recent progresses elicited by improved residue-residue contact prediction, contact-based…

Biomolecules · Quantitative Biology 2019-12-19 Wenze Ding , Haipeng Gong

Gene expression data represents a unique challenge in predictive model building, because of the small number of samples $(n)$ compared to the huge amount of features $(p)$. This "$n<<p$" property has hampered application of deep learning…

Machine Learning · Statistics 2018-02-13 Yunchuan Kong , Tianwei Yu

Graph Convolutional Networks (GCNs) have been successfully applied to analyze non-grid data, where the classical convolutional neural networks (CNNs) cannot be directly used. One similarity shared by GCNs and CNNs is the requirement of…

Computer Vision and Pattern Recognition · Computer Science 2020-06-04 Qikui Zhu , Bo Du , Pingkun Yan

We consider the approximation of functions by 2-layer neural networks with a small number of hidden weights based on the squared loss and small datasets. Due to the highly non-convex energy landscape, gradient-based training often suffers…

Machine Learning · Computer Science 2025-08-14 Johannes Hertrich , Sebastian Neumayer

Learning on 3D structures of large biomolecules is emerging as a distinct area in machine learning, but there has yet to emerge a unifying network architecture that simultaneously leverages the graph-structured and geometric aspects of the…

Biomolecules · Quantitative Biology 2021-05-18 Bowen Jing , Stephan Eismann , Patricia Suriana , Raphael J. L. Townshend , Ron Dror

Gaussian graphical models (GGMs) are widely used for statistical modeling, because of ease of inference and the ubiquitous use of the normal distribution in practical approximations. However, they are also known for their limited modeling…

Machine Learning · Statistics 2016-11-22 Qinliang Su , Xuejun Liao , Chunyuan Li , Zhe Gan , Lawrence Carin

Single particle, cryogenic electron microscopy (cryo-EM) experiments now routinely produce high-resolution data for large proteins and their complexes. Building an atomic model into a cryo-EM density map is challenging, particularly when no…

Biomolecules · Quantitative Biology 2020-09-04 Po-Nan Li , Saulo H. P. de Oliveira , Soichi Wakatsuki , Henry van den Bedem

Indoor Positioning based on Machine Learning has drawn increasing attention both in the academy and the industry as meaningful information from the reference data can be extracted. Many researchers are using supervised, semi-supervised, and…

Signal Processing · Electrical Eng. & Systems 2022-11-29 Darwin Quezada-Gaibor , Joaquín Torres-Sospedra , Jari Nurmi , Yevgeni Koucheryavy , Joaquín Huerta

Deep learning based image segmentation has achieved the state-of-the-art performance in many medical applications such as lesion quantification, organ detection, etc. However, most of the methods rely on supervised learning, which require a…

Computer Vision and Pattern Recognition · Computer Science 2020-04-20 Ruizhe Li , Dorothee Auer , Christian Wagner , Xin Chen