Related papers: Fast Neural Network Approach for Direct Covariant …

The valence force field (VFF) model is a concise physical interpretation of the atomic interaction in terms of the bond and angle variations in the explicit quadratic functional form, while the machine learning (ML) method is a flexible…

In the design of tensegrity structures, traditional form-finding methods utilize kinematic and static approaches to identify geometric configurations that achieve equilibrium. However, these methods often fall short when applied to actual…

Neural networks have been known for a long time as a tool for different types of classification, but only just in the last decade they have showed their entire power. Along with appearing of hardware that is capable to support demanding…

We introduce a novel hybrid methodology combining classical finite element methods (FEM) with neural networks to create a well-performing and generalizable surrogate model for forward and inverse problems. The residual from finite element…

We present the Graph Forward-Forward (GFF) algorithm, an extension of the Forward-Forward procedure to graphs, able to handle features distributed over a graph's nodes. This allows training graph neural networks with forward passes only,…

Deep networks are now able to achieve human-level performance on a broad spectrum of recognition tasks. Independently, neuromorphic computing has now demonstrated unprecedented energy-efficiency through a new chip architecture based on…

Density functional theory (DFT) calculations determine the relaxed atomic positions and lattice parameters that minimize the formation energy of a structure. We present an equivariant graph neural network (EGNN) model to predict the outcome…

We develop a representation suitable for the unconstrained recognition of words in natural images: the general case of no fixed lexicon and unknown length. To this end we propose a convolutional neural network (CNN) based architecture which…

In the present paper, we introduce a new neural network-based tool for the prediction of formation energies of atomic structures based on elemental and structural features of Voronoi-tessellated materials. We provide a concise overview of…

One of the main computational bottlenecks when working with kernel based learning is dealing with the large and typically dense kernel matrix. Techniques dealing with fast approximations of the matrix vector product for these kernel…

Neural architecture search has attracted wide attentions in both academia and industry. To accelerate it, researchers proposed weight-sharing methods which first train a super-network to reuse computation among different operators, from…

Neural networks allow Q-learning reinforcement learning agents such as deep Q-networks (DQN) to approximate complex mappings from state spaces to value functions. However, this also brings drawbacks when compared to other function…

In comparison to classical shallow representation learning techniques, deep neural networks have achieved superior performance in nearly every application benchmark. But despite their clear empirical advantages, it is still not well…

Accurate dynamic models are crucial for many robotic applications. Traditional approaches to deriving these models are based on the application of Lagrangian or Newtonian mechanics. Although these methods provide a good insight into the…

Machine learning force fields (MLFFs) are a promising approach to balance the accuracy of quantum mechanics with the efficiency of classical potentials, yet selecting an optimal model amid increasingly diverse architectures that delivers…

Deep Learning methods have seen a wide range of successful applications across different industries. Up until now, applications to physical simulations such as CFD (Computational Fluid Dynamics), have been limited to simple test-cases of…

CoVariance Neural Networks (VNNs) perform convolutions on the graph determined by the covariance matrix of the data, which enables expressive and stable covariance-based learning. However, covariance matrices are typically dense, fail to…

We have designed a new method to fit the energy and atomic forces using a single artificial neural network (SANN) for any number of chemical species present in a molecular system. The traditional approach for fitting the potential energy…

Network robustness is critical for various societal and industrial networks again malicious attacks. In particular, connectivity robustness and controllability robustness reflect how well a networked system can maintain its connectedness…

In this work we present a new framework for neural networks compression with fine-tuning, which we called Neural Network Compression Framework (NNCF). It leverages recent advances of various network compression methods and implements some…