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Deep learning, as a highly efficient method for metasurface inverse design, commonly use simulation data to train deep neural networks (DNNs) that can map desired functionalities to proper metasurface designs. However, the assumptions and…

Simulation of fluid flow in porous media has many applications, from the micro-scale (cell membranes, filters, rocks) to macro-scale (groundwater, hydrocarbon reservoirs, and geothermal) and beyond. Direct simulation of flow in porous media…

Due to costly efforts during data acquisition and model training, Deep Neural Networks (DNNs) belong to the intellectual property of the model creator. Hence, unauthorized use, theft, or modification may lead to legal repercussions.…

We present a neural network (NN) potential based on a new set of atomic fingerprints built upon two- and three-body contributions that probe distances and local orientational order respectively. Compared to existing NN potentials, the…

Numerical simulators are essential tools in the study of natural fluid-systems, but their performance often limits application in practice. Recent machine-learning approaches have demonstrated their ability to accelerate spatio-temporal…

Simulating abundances of stable water isotopologues, i.e. molecules differing in their isotopic composition, within climate models allows for comparisons with proxy data and, thus, for testing hypotheses about past climate and validating…

Recent years have witnessed growing interest in the application of deep neural networks (DNNs) for receiver design, which can potentially be applied in complex environments without relying on knowledge of the channel model. However, the…

Deep learning has led to a paradigm shift in artificial intelligence, including web, text and image search, speech recognition, as well as bioinformatics, with growing impact in chemical physics. Machine learning in general and deep…

Spiking neural networks (SNNs) are biologically inspired energy-efficient models that use sparse binary spike-based communication between neurons, making them attractive for resource-constrained edge devices. Federated learning enables such…

We present a physics-inspired neural network (PINN) model for direct prediction of hydrodynamic forces and torques experienced by individual particles in stationary beds of randomly distributed spheres. In line with our findings, it has…

Manual analysis of XRD data is usually laborious and time consuming. The deep neural network (DNN) based models trained by synthetic XRD patterns are proved to be an automatic, accurate, and high throughput method to analysis common XRD…

We show how machine learning techniques based on Bayesian inference can be used to reach new levels of realism in the computer simulation of molecular materials, focusing here on water. We train our machine-learning algorithm using…

We propose a new molecular simulation framework that combines the transferability, robustness and chemical flexibility of an ab initio method with the accuracy and efficiency of a machine learned force field. The key to achieve this mix is…

Deep Operator Network (DeepONet), a recently introduced deep learning operator network, approximates linear and nonlinear solution operators by taking parametric functions (infinite-dimensional objects) as inputs and mapping them to…

In molecular simulations, machine-learning force fields can achieve ab initio accuracy at a lower cost but remain limited in the explicit modeling of electrons. In this work, we develop an electron-aware machine-learning force field, in…

Abstract knowledge is deeply grounded in many computer-based applications. An important research area of Artificial Intelligence (AI) deals with the automatic derivation of knowledge from data. Machine learning offers the according…

Deep Neural Networks (DNNs) are the current state-of-the-art models in many speech related tasks. There is a growing interest, though, for more biologically realistic, hardware friendly and energy efficient models, named Spiking Neural…

For multilayer materials in thin substrate systems, interfacial failure is one of the most challenges. The traction-separation relations (TSR) quantitatively describe the mechanical behavior of a material interface undergoing openings,…

Energy communities (ECs) play a key role in enabling local demand shifting and enhancing self-sufficiency, as energy systems transition toward decentralized structures with high shares of renewable generation. To optimally operate them,…

Spiking Neural Networks (SNN) are models for "realistic" neuronal computation, which makes them somehow different in scope from "ordinary" deep-learning models widely used in AI platforms nowadays. SNNs focus on timed latency (and possibly…