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The development of chemical reaction models aids understanding and prediction in areas ranging from biology to electrochemistry and combustion. A systematic approach to building reaction network models uses observational data not only to…

Computational Engineering, Finance, and Science · Computer Science 2019-01-23 Nikhil Galagali , Youssef M. Marzouk

Learning representation on graph plays a crucial role in numerous tasks of pattern recognition. Different from grid-shaped images/videos, on which local convolution kernels can be lattices, however, graphs are fully coordinate-free on…

Machine Learning · Computer Science 2018-11-13 Jiatao Jiang , Zhen Cui , Chunyan Xu , Jian Yang

In increasingly many settings, data sets consist of multiple samples from a population of networks, with vertices aligned across these networks. For example, brain connectivity networks in neuroscience consist of measures of interaction…

Statistics Theory · Mathematics 2021-05-11 Keith Levin , Asad Lodhia , Elizaveta Levina

The paper introduces CycleIK, a neuro-robotic approach that wraps two novel neuro-inspired methods for the inverse kinematics (IK) task, a Generative Adversarial Network (GAN), and a Multi-Layer Perceptron architecture. These methods can be…

Robotics · Computer Science 2023-07-24 Jan-Gerrit Habekost , Erik Strahl , Philipp Allgeuer , Matthias Kerzel , Stefan Wermter

The mechanism of message passing in graph neural networks (GNNs) is still mysterious. Apart from convolutional neural networks, no theoretical origin for GNNs has been proposed. To our surprise, message passing can be best understood in…

Machine Learning · Computer Science 2021-04-16 Xue Li , Yuanzhi Cheng

We propose a new multi-network-based strategy to integrate different layers of genomic information and use them in a coordinate way to identify driving cancer genes. The multi-networks that we consider combine transcription factor…

Molecular Networks · Quantitative Biology 2015-12-10 Laura Cantini , Enzo Medico , Santo Fortunato , Michele Caselle

In the early days of gene expression data, researchers have focused on gene-level analysis, and particularly on finding differentially expressed genes. This usually involved making a simplifying assumption that genes are independent, which…

Applications · Statistics 2021-06-29 Haim Bar , Seojin Bang

Protein-protein interactions (PPIs) are associated with various diseases, including cancer, infections, and neurodegenerative disorders. Obtaining three-dimensional structural information on these PPIs serves as a foundation to interfere…

Biomolecules · Quantitative Biology 2024-07-24 Xiaotong Xu , Alexandre M. J. J. Bonvin

Identifying latent structure in large data matrices is essential for exploring biological processes. Here, we consider recovering gene co-expression networks from gene expression data, where each network encodes relationships between genes…

Methodology · Statistics 2014-11-10 Chuan Gao , Shiwen Zhao , Ian C. McDowell , Christopher D. Brown , Barbara E. Engelhardt

The inference of gene regulatory networks (GRNs) is a foundational stride towards deciphering the fundamentals of complex biological systems. Inferring a possible regulatory link between two genes can be formulated as a link prediction…

Machine Learning · Computer Science 2025-04-25 Binon Teji , Swarup Roy

Signed networks, i.e., networks with positive and negative edges, commonly arise in various domains from social media to epidemiology. Modeling signed networks has many practical applications, including the creation of synthetic data sets…

Quantitative Methods · Quantitative Biology 2022-11-18 Angelina Brilliantova , Hannah Miller , Ivona Bezáková

Graphical model estimation from multi-omics data requires a balance between statistical estimation performance and computational scalability. We introduce a novel pseudolikelihood-based graphical model framework that reparameterizes the…

Machine Learning · Statistics 2025-09-23 Sungdong Lee , Joshua Bang , Youngrae Kim , Hyungwon Choi , Sang-Yun Oh , Joong-Ho Won

The inference of gene regulatory networks from high throughput gene expression data is one of the major challenges in systems biology. This paper aims at analysing and comparing two different algorithmic approaches. The first approach uses…

Quantitative Methods · Quantitative Biology 2008-12-05 A. Braunstein , A. Pagnani , M. Weigt , R. Zecchina

Hypergraph neural networks can model multi-way connections among nodes of the graphs, which are common in real-world applications such as genetic medicine. In particular, genetic pathways or gene sets encode molecular functions driven by…

Machine Learning · Computer Science 2022-10-17 Yuan Luo

Reconstruction of gene regulatory networks is the process of identifying gene dependency from gene expression profile through some computation techniques. In our human body, though all cells pose similar genetic material but the activation…

Due to the nature of deep learning approaches, it is inherently difficult to understand which aspects of a molecular graph drive the predictions of the network. As a mitigation strategy, we constrain certain weights in a multi-task graph…

Machine Learning · Computer Science 2020-11-25 Ryan Henderson , Djork-Arné Clevert , Floriane Montanari

Convolutional neural networks (CNNs) have achieved superior accuracy in many visual related tasks. However, the inference process through intermediate layers is opaque, making it difficult to interpret such networks or develop trust in…

Computer Vision and Pattern Recognition · Computer Science 2021-10-22 Yael Konforti , Alon Shpigler , Boaz Lernerand Aharon Bar-Hillel

The main goal of Systems Biology research is to reconstruct biological networks for its topological analysis so that reconstructed networks can be used for the identification of various kinds of disease. The availability of high-throughput…

Systems and Control · Computer Science 2013-07-02 Khalid Raza , Rajni Jaiswal

Background:Typically, proteins perform key biological functions by interacting with each other. As a consequence, predicting which protein pairs interact is a fundamental problem. Experimental methods are slow, expensive, and may be error…

Biomolecules · Quantitative Biology 2022-02-08 Leonardo Martini , Adriano Fazzone , Luca Becchetti

Genetic interactions confer robustness on cells in response to genetic perturbations. This often occurs through molecular buffering mechanisms that can be predicted using, among other features, the degree of coexpression between genes,…

Quantitative Methods · Quantitative Biology 2017-03-14 Alberto Roverato , Robert Castelo