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We describe a complete method that learns a neural network which is guaranteed to overestimate a reference function on a given domain. The neural network can then be used as a surrogate for the reference function. The method involves two…

Machine Learning · Computer Science 2021-01-29 Adrien Gauffriau , François Malgouyres , Mélanie Ducoffe

Hypergraph representations are both more efficient and better suited to describe data characterized by relations between two or more objects. In this work, we present a new graph neural network based on message passing capable of processing…

Machine Learning · Computer Science 2022-09-19 Sajjad Heydari , Lorenzo Livi

Spatial Transcriptomics (ST) merges the benefits of pathology images and gene expression, linking molecular profiles with tissue structure to analyze spot-level function comprehensively. Predicting gene expression from histology images is a…

Computer Vision and Pattern Recognition · Computer Science 2025-12-01 Chen Zhang , Yilu An , Ying Chen , Hao Li , Xitong Ling , Lihao Liu , Junjun He , Yuxiang Lin , Zihui Wang , Rongshan Yu

In this paper, we consider the statistical analysis of a protein interaction network. We propose a Bayesian model that uses a hierarchy of probabilistic assumptions about the way proteins interact with one another in order to: (i) identify…

Molecular Networks · Quantitative Biology 2007-11-15 Edoardo M Airoldi , David M Blei , Stephen E Fienberg , Eric P Xing

In recent years, graph convolutional networks (GCNs) play an increasingly critical role in skeleton-based human action recognition. However, most GCN-based methods still have two main limitations: 1) They only consider the motion…

Computer Vision and Pattern Recognition · Computer Science 2022-02-10 Zhigang Tu , Jiaxu Zhang , Hongyan Li , Yujin Chen , Junsong Yuan

Motivation: Biological data and knowledge bases increasingly rely on Semantic Web technologies and the use of knowledge graphs for data integration, retrieval and federated queries. In the past years, feature learning methods that are…

Quantitative Methods · Quantitative Biology 2017-05-01 Mona Alshahrani , Mohammed Asif Khan , Omar Maddouri , Akira R Kinjo , Núria Queralt-Rosinach , Robert Hoehndorf

Hypergraph Convolutional Neural Networks (HGCNNs) have demonstrated their potential in modeling high-order relations preserved in graph-structured data. However, most existing convolution filters are localized and determined by the…

Machine Learning · Computer Science 2022-04-15 Jiying Zhang , Yuzhao Chen , Xi Xiao , Runiu Lu , Shu-Tao Xia

Recently, techniques for applying convolutional neural networks to graph-structured data have emerged. Graph convolutional neural networks (GCNNs) have been used to address node and graph classification and matrix completion. Although the…

Machine Learning · Statistics 2018-11-28 Yingxue Zhang , Soumyasundar Pal , Mark Coates , Deniz Üstebay

Recent advances in graph convolutional networks have significantly improved the performance of chemical predictions, raising a new research question: "how do we explain the predictions of graph convolutional networks?" A possible approach…

Machine Learning · Computer Science 2018-07-06 Hirotaka Akita , Kosuke Nakago , Tomoki Komatsu , Yohei Sugawara , Shin-ichi Maeda , Yukino Baba , Hisashi Kashima

Inspired by the success of Convolutional Neural Networks (CNNs) for supervised prediction in images, we design the Deconvolutional Generative Model (DGM), a new probabilistic generative model whose inference calculations correspond to those…

Computer Vision and Pattern Recognition · Computer Science 2019-12-10 Tan Nguyen , Nhat Ho , Ankit Patel , Anima Anandkumar , Michael I. Jordan , Richard G. Baraniuk

External information propagates in the cell mainly through signaling cascades and transcriptional activation, allowing it to react to a wide spectrum of environmental changes. High throughput experiments identify numerous molecular…

Molecular Networks · Quantitative Biology 2011-01-25 M. Bailly-Bechet , C. Borgs , A. Braunstein , J. Chayes , A. Dagkessamanskaia , J. -M. François , R. Zecchina

Machine learning models are often tuned by nesting optimization of model weights inside the optimization of hyperparameters. We give a method to collapse this nested optimization into joint stochastic optimization of weights and…

Machine Learning · Computer Science 2018-03-09 Jonathan Lorraine , David Duvenaud

The hyperlink prediction task, that of proposing new links between webpages, can be used to improve search engines, expand the visibility of web pages, and increase the connectivity and navigability of the web. Hyperlink prediction is…

Data Structures and Algorithms · Computer Science 2016-11-29 Dario Garcia-Gasulla , Eduard Ayguadé , Jesús Labarta , Ulises Cortés , Toyotaro Suzumura

To enhance the accuracy of protein-protein interaction function prediction, a 2-order graphic neighbor information feature extraction method based on undirected simple graph is proposed in this paper, which extends the 1-order graphic…

Quantitative Methods · Quantitative Biology 2012-07-19 Jingwei Liu

From the spectral plot of the (normalized) graph Laplacian, the essential qualitative properties of a network can be simultaneously deduced. Given a class of empirical networks, reconstruction schemes for elucidating the evolutionary…

Quantitative Methods · Quantitative Biology 2007-05-24 Anirban Banerjee , Jürgen Jost

Link prediction aims to reveal missing edges in a graph. We address this task with a Gaussian process that is transformed using simplified graph convolutions to better leverage the inductive bias of the domain. To scale the Gaussian process…

Machine Learning · Computer Science 2020-02-12 Felix L. Opolka , Pietro Liò

Computational analysis methods including machine learning have a significant impact in the fields of genomics and medicine. High-throughput gene expression analysis methods such as microarray technology and RNA sequencing produce enormous…

Genomics · Quantitative Biology 2022-09-28 Nikita Bhandari , Rahee Walambe , Ketan Kotecha , Satyajeet Khare

Current deep neural networks are highly overparameterized (up to billions of connection weights) and nonlinear. Yet they can fit data almost perfectly through variants of gradient descent algorithms and achieve unexpected levels of…

Proteins are fundamental biological entities mediating key roles in cellular function and disease. This paper introduces a multi-scale graph construction of a protein -- HoloProt -- connecting surface to structure and sequence. The surface…

Machine Learning · Computer Science 2022-04-06 Vignesh Ram Somnath , Charlotte Bunne , Andreas Krause

Laplacian mixture models identify overlapping regions of influence in unlabeled graph and network data in a scalable and computationally efficient way, yielding useful low-dimensional representations. By combining Laplacian eigenspace and…

Machine Learning · Statistics 2018-10-03 Daniel Korenblum