Related papers: Active learning and element embedding approach in …

In this work, we explore the use of deep learning techniques to learn how nuclear cross sections change as we add or remove protons and neutrons. As a proof of principle, we focus on the neutron-induced reactions in the fast energy regime.…

We present a robust Deep Hedging framework for the pricing and hedging of option portfolios that significantly improves training efficiency and model robustness. In particular, we propose a neural model for training model embeddings which…

In this paper, we propose a systematic approach for accelerating finite element-type methods by machine learning for the numerical solution of partial differential equations (PDEs). The main idea is to use a neural network to learn the…

The reliability with Machine Learning (ML) techniques in novel materials discovery often depend on the quality of the dataset, in addition to the relevant features used in describing the material. In this regard, the current study presents…

We propose a complement to constitutive modeling that augments neural networks with material principles to capture anisotropy and inelasticity at finite strains. The key element is a dual potential that governs dissipation, consistently…

Several pool-based active learning algorithms (AL) were employed to model potential energy surfaces (PESs) with a minimum number of electronic structure calculations. Theoretical and empirical results suggest that superior strategies can be…

Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across…

Many real-world problems can be formalized as predicting links in a partially observed network. Examples include Facebook friendship suggestions, consumer-product recommendations, and the identification of hidden interactions between actors…

We propose machine learning (ML) models to predict the electron density -- the fundamental unknown of a material's ground state -- across the composition space of concentrated alloys. From this, other physical properties can be inferred,…

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…

Deep learning has taken part in the competition since not long ago to learn and identify phase transitions in physical systems such as many body quantum systems, whose underlying lattice structures are generally regular as they're in…

Ferroelectric perovskites have been ubiquitously applied in piezoelectric devices for decades, among which, eco-friendly lead-free (K,Na)NbO3-based materials have been recently demonstrated to be an excellent candidate for sustainable…

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…

Emulator embedded neural networks, which are a type of physics informed neural network, leverage multi-fidelity data sources for efficient design exploration of aerospace engineering systems. Multiple realizations of the neural network…

The effectiveness and performance of artificial neural networks, particularly for visual tasks, depends in crucial ways on the receptive field of neurons. The receptive field itself depends on the interplay between several architectural…

While much attention of neural network methods is devoted to high-dimensional PDE problems, in this work we consider methods designed to work for elliptic problems on domains $\Omega \subset \mathbb{R} ^d, $ $d=1,2,3$ in association with…

We present a novel deep learning (DL) approach to produce highly accurate predictions of macroscopic physical properties of solid solution binary alloys and magnetic systems. The major idea is to make use of the correlations between…

Diffusion involving atom transport from one location to another governs many important processes and behaviors such as precipitation and phase nucleation. Local chemical complexity in compositionally complex alloys poses challenges for…

A neural network architecture is presented that exploits the multilevel properties of high-dimensional parameter-dependent partial differential equations, enabling an efficient approximation of parameter-to-solution maps, rivaling…

Neural network-based collaborative filtering systems focus on designing network architectures to learn better representations while fixing the input to the user/item interaction vectors and/or ID. In this paper, we first show that the…