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Prediction of protein-ligand (PL) binding affinity remains the key to drug discovery. Popular approaches in recent years involve graph neural networks (GNNs), which are used to learn the topology and geometry of PL complexes. However, GNNs…

Machine Learning · Computer Science 2022-05-17 Dmitrii Gavrilev , Nurlybek Amangeldiuly , Sergei Ivanov , Evgeny Burnaev

Efficient computation of node proximity queries such as transition probabilities, Personalized PageRank, and Katz are of fundamental importance in various graph mining and learning tasks. In particular, several recent works leverage fast…

Data Structures and Algorithms · Computer Science 2021-11-29 Hanzhi Wang , Mingguo He , Zhewei Wei , Sibo Wang , Ye Yuan , Xiaoyong Du , Ji-Rong Wen

We propose proximal backpropagation (ProxProp) as a novel algorithm that takes implicit instead of explicit gradient steps to update the network parameters during neural network training. Our algorithm is motivated by the step size…

Machine Learning · Computer Science 2018-02-21 Thomas Frerix , Thomas Möllenhoff , Michael Moeller , Daniel Cremers

A graphical model is a structured representation of locally dependent random variables. A traditional method to reason over these random variables is to perform inference using belief propagation. When provided with the true data generating…

Machine Learning · Computer Science 2021-03-17 Victor Garcia Satorras , Max Welling

Spiking Neural Networks (SNNs) contain more biologically realistic structures and biologically-inspired learning principles than those in standard Artificial Neural Networks (ANNs). SNNs are considered the third generation of ANNs, powerful…

Neural and Evolutionary Computing · Computer Science 2021-06-01 Tielin Zhang , Shuncheng Jia , Xiang Cheng , Bo Xu

The ability to learn continually without forgetting the past tasks is a desired attribute for artificial learning systems. Existing approaches to enable such learning in artificial neural networks usually rely on network growth, importance…

Machine Learning · Computer Science 2021-03-18 Gobinda Saha , Isha Garg , Kaushik Roy

Equilibrium Propagation (EP) is a biologically plausible local learning algorithm initially developed for convergent recurrent neural networks (RNNs), where weight updates rely solely on the connecting neuron states across two phases. The…

Neural and Evolutionary Computing · Computer Science 2024-07-04 Jiaqi Lin , Malyaban Bal , Abhronil Sengupta

Random backpropagation (RBP) is a variant of the backpropagation algorithm for training neural networks, where the transpose of the forward matrices are replaced by fixed random matrices in the calculation of the weight updates. It is…

Machine Learning · Computer Science 2017-12-25 Pierre Baldi , Peter Sadowski , Zhiqin Lu

By and large, Backpropagation (BP) is regarded as one of the most important neural computation algorithms at the basis of the progress in machine learning, including the recent advances in deep learning. However, its computational structure…

Artificial Intelligence · Computer Science 2018-08-22 Alessandro Betti , Marco Gori , Giuseppe Marra

Backpropagation (BP), the standard learning algorithm for artificial neural networks, is often considered biologically implausible. In contrast, the standard learning algorithm for predictive coding (PC) models in neuroscience, known as the…

Neural and Evolutionary Computing · Computer Science 2023-05-24 Nick Alonso , Jeff Krichmar , Emre Neftci

We introduce PropNEAT, a fast backpropagation implementation of NEAT that uses a bidirectional mapping of the genome graph to a layer-based architecture that preserves the NEAT genomes whilst enabling efficient GPU backpropagation. We test…

Machine Learning · Computer Science 2024-11-07 Michael Merry , Patricia Riddle , Jim Warren

Deep learning has revolutionized the computer vision and image classification domains. In this context Convolutional Neural Networks (CNNs) based architectures are the most widely applied models. In this article, we introduced two…

Computer Vision and Pattern Recognition · Computer Science 2023-05-24 Seyedsaman Emami , Gonzalo Martínez-Muñoz

Backpropagation (BP) is a core component of the contemporary deep learning incarnation of neural networks. Briefly, BP is an algorithm that exploits the computational architecture of neural networks to efficiently evaluate the gradient of a…

Machine Learning · Statistics 2021-07-21 Dirk Ostwald , Franziska Usée

While the popularity of physics-informed neural networks (PINNs) is steadily rising, to this date, PINNs have not been successful in simulating multi-scale and singular perturbation problems. In this work, we present a new training paradigm…

Machine Learning · Computer Science 2024-03-27 Zhiwei Fang , Sifan Wang , Paris Perdikaris

Recently, deep neural networks (DNNs) have shown advantages in accelerating optimization algorithms. One approach is to unfold finite number of iterations of conventional optimization algorithms and to learn parameters in the algorithms.…

Machine Learning · Computer Science 2021-04-23 Byung Hyun Lee , Se Young Chun

We argue the case for Gaussian Belief Propagation (GBP) as a strong algorithmic framework for the distributed, generic and incremental probabilistic estimation we need in Spatial AI as we aim at high performance smart robots and devices…

Artificial Intelligence · Computer Science 2022-11-08 Andrew J. Davison , Joseph Ortiz

Spiking neural networks (SNN) have recently emerged as alternatives to traditional neural networks, owing to energy efficiency benefits and capacity to better capture biological neuronal mechanisms. However, the classic backpropagation…

Neural and Evolutionary Computing · Computer Science 2023-03-13 Jane H. Lee , Saeid Haghighatshoar , Amin Karbasi

Back-propagation (BP) is widely used learning algorithm for neural network optimization. However, BP requires enormous computation cost and is too slow to train in central processing unit (CPU). Therefore current neural network optimizaiton…

Machine Learning · Computer Science 2023-08-22 Ryoungwoo Jang

There is an increasing convergence between biologically plausible computational models of inference and learning with local update rules and the global gradient-based optimization of neural network models employed in machine learning. One…

Machine Learning · Computer Science 2021-11-16 Andre Ofner , Raihan Kabir Ratul , Suhita Ghosh , Sebastian Stober

Deep artificial neural networks (DNNs) are typically trained via gradient-based learning algorithms, namely backpropagation. Evolution strategies (ES) can rival backprop-based algorithms such as Q-learning and policy gradients on…

Neural and Evolutionary Computing · Computer Science 2018-04-24 Felipe Petroski Such , Vashisht Madhavan , Edoardo Conti , Joel Lehman , Kenneth O. Stanley , Jeff Clune