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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

This paper introduces an Interpretable Neural Network (INN) incorporating spatial information to tackle the opaque parameterization process of random weighted neural networks. The INN leverages spatial information to elucidate the…

Machine Learning · Computer Science 2024-04-16 Jing Nan , Wei Dai

Learning feature interactions is the key to success for the large-scale CTR prediction in Ads ranking and recommender systems. In industry, deep neural network-based models are widely adopted for modeling such problems. Researchers proposed…

Information Retrieval · Computer Science 2023-01-20 YaChen Yan , Liubo Li

Tree-structured neural networks exploit valuable syntactic parse information as they interpret the meanings of sentences. However, they suffer from two key technical problems that make them slow and unwieldy for large-scale NLP tasks: they…

Computation and Language · Computer Science 2016-08-01 Samuel R. Bowman , Jon Gauthier , Abhinav Rastogi , Raghav Gupta , Christopher D. Manning , Christopher Potts

Learning feature interactions is the key to success for the large-scale CTR prediction and recommendation. In practice, handcrafted feature engineering usually requires exhaustive searching. In order to reduce the high cost of human efforts…

Machine Learning · Computer Science 2023-01-04 YaChen Yan , Liubo Li

We introduce an optimized physics-informed neural network (PINN) trained to solve the problem of identifying and characterizing a surface breaking crack in a metal plate. PINNs are neural networks that can combine data and physics in the…

Machine Learning · Computer Science 2020-05-09 Khemraj Shukla , Patricio Clark Di Leoni , James Blackshire , Daniel Sparkman , George Em Karniadakis

We introduce semi-parametric inducing point networks (SPIN), a general-purpose architecture that can query the training set at inference time in a compute-efficient manner. Semi-parametric architectures are typically more compact than…

Machine Learning · Computer Science 2023-03-31 Richa Rastogi , Yair Schiff , Alon Hacohen , Zhaozhi Li , Ian Lee , Yuntian Deng , Mert R. Sabuncu , Volodymyr Kuleshov

Artificial Neural Networks form the basis of very powerful learning methods. It has been observed that a naive application of fully connected neural networks to data with many irrelevant variables often leads to overfitting. In an attempt…

Machine Learning · Computer Science 2020-02-12 Gitesh Dawer , Yangzi Guo , Sida Liu , Adrian Barbu

Reconstructing the structural connectivity between interacting units from observed activity is a challenge across many different disciplines. The fundamental first step is to establish whether or to what extent the interactions between the…

Neurons and Cognition · Quantitative Biology 2016-11-02 Elliot A. Martin , Jaroslav Hlinka , Jörn Davidsen

In recent years, scientific machine learning, particularly physic-informed neural networks (PINNs), has introduced new innovative methods to understanding the differential equations that describe power system dynamics, providing a more…

Systems and Control · Electrical Eng. & Systems 2024-03-12 Huynh T. T. Tran , Hieu T. Nguyen

In this paper, the training dynamics of PINNs with a feature mapping layer via the limiting Conjugate Kernel and Neural Tangent Kernel is investigated, shedding light on the convergence of PINNs; Although the commonly used Fourier-based…

Machine Learning · Computer Science 2024-10-22 Chengxi Zeng , Tilo Burghardt , Alberto M Gambaruto

Drug discovery often relies on the successful prediction of protein-ligand binding affinity. Recent advances have shown great promise in applying graph neural networks (GNNs) for better affinity prediction by learning the representations of…

Quantitative Methods · Quantitative Biology 2021-07-24 Shuangli Li , Jingbo Zhou , Tong Xu , Liang Huang , Fan Wang , Haoyi Xiong , Weili Huang , Dejing Dou , Hui Xiong

Protein interactions are important in a broad range of biological processes. Traditionally, computational methods have been developed to automatically predict protein interface from hand-crafted features. Recent approaches employ deep…

Machine Learning · Computer Science 2020-07-21 Yi Liu , Hao Yuan , Lei Cai , Shuiwang Ji

Physics-informed neural networks (PINNs) are a new tool for solving boundary value problems by defining loss functions of neural networks based on governing equations, boundary conditions, and initial conditions. Recent investigations have…

Computational Engineering, Finance, and Science · Computer Science 2023-11-14 Ali Harandi , Ahmad Moeineddin , Michael Kaliske , Stefanie Reese , Shahed Rezaei

Dynamical systems with interacting agents are universal in nature, commonly modeled by a graph of relationships between their constituents. Recently, various works have been presented to tackle the problem of inferring those relationships…

Machine Learning · Computer Science 2022-11-28 Seungwoong Ha , Hawoong Jeong

Interpreting predictions from tree ensemble methods such as gradient boosting machines and random forests is important, yet feature attribution for trees is often heuristic and not individualized for each prediction. Here we show that…

Machine Learning · Computer Science 2019-03-08 Scott M. Lundberg , Gabriel G. Erion , Su-In Lee

Differential equations are indispensable to engineering and hence to innovation. In recent years, physics-informed neural networks (PINN) have emerged as a novel method for solving differential equations. PINN method has the advantage of…

Computational Engineering, Finance, and Science · Computer Science 2022-01-07 Mayank Raj , Pramod Kumbhar , Ratna Kumar Annabattula

Cellular function is widely believed to be organized in a modular fashion. On all scales and at all levels of complexity, relatively independent sub-units perform relatively independent sub-tasks of biological function. This functional…

Molecular Networks · Quantitative Biology 2010-12-22 Stefan Pinkert , Joerg Schultz , Joerg Reichardt

Generalized linear and additive models are very efficient regression tools but the selection of relevant terms becomes difficult if higher order interactions are needed. In contrast, tree-based methods also known as recursive partitioning…

Methodology · Statistics 2015-04-21 Gerhard Tutz , Moritz Berger

Physics-Informed Neural Network (PINN) is a novel multi-task learning framework useful for solving physical problems modeled using differential equations (DEs) by integrating the knowledge of physics and known constraints into the…

Machine Learning · Computer Science 2024-09-18 Shivprasad Kathane , Shyamprasad Karagadde