Related papers: eT 2.0: An efficient open-source molecular electro…
Extreme learning machine (ELM) as an emerging branch of shallow networks has shown its excellent generalization and fast learning speed. However, for blended data, the robustness of ELM is weak because its weights and biases of hidden nodes…
Electrical impedance tomography (EIT) is a non-invasive imaging technique, capable of reconstructing images of the electrical conductivity of tissues and materials. It is popular in diverse application areas, from medical imaging to…
Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be applied directly to predict the desired properties or be…
Forte is an open-source library specialized in multireference electronic structure theories for molecular systems and the rapid prototyping of new methods. This paper gives an overview of the capabilities of Forte, its software…
Electrical impedance tomography (EIT) is a noninvasive imaging method whereby electrical measurements on the boundary of a conductive medium (the data) are taken according to a prescribed protocol set and inverted to map the internal…
Electrical Resistivity Tomography (ERT) is increasingly used to study subsurface hydrological processes. It shows promising potential for estimating soil water content, a key but challenging property to quantify. However, converting the…
Recently, large-scale transformer-based models have been proven to be effective over various tasks across many domains. Nevertheless, applying them in industrial production requires tedious and heavy works to reduce inference costs. To fill…
This work introduces the Eigen Memory Tree (EMT), a novel online memory model for sequential learning scenarios. EMTs store data at the leaves of a binary tree and route new samples through the structure using the principal components of…
Deep-learning electronic structure calculations show great potential for revolutionizing the landscape of computational materials research. However, current neural-network architectures are not deemed suitable for widespread general-purpose…
We demonstrate a classical analogue of electromagnetically induced transparency (EIT) in a highly flexible planar terahertz metamaterial (MM) comprised of three-gap split ring resonators. The keys to achieve EIT in this system are the…
Cryo-electron tomography (cryo-ET) has emerged as a powerful tool for studying the structural heterogeneity of proteins and their complexes, offering insights into macromolecular dynamics directly within cells. Driven by recent…
Understanding the applicability and limitations of electronic-structure methods needs careful and efficient comparison with accurate reference data. Knowledge of the quality and errors of electronic-structure calculations is crucial to…
Electrical Capacitance Tomography (ECT) is an imaging technique providing the distribution of permittivity in a medium by the mean of electrodes. As for any imaging systems, the reachable spatial resolution is a key parameter. In this paper…
Atomic ensembles, comprising clouds of atoms addressed by laser fields, provide an attractive system for both the storage of quantum information, and the coherent conversion of quantum information between atomic and optical degrees of…
Argon molecular dynamics (MD) simulations are performed with a newly developed MD program, Easy M(1)odular M(2)olecular M(3)echanics (EM3). The program was developed in an object-oriented fashion containing classes for each critical part of…
We propose Easy End-to-End Diffusion-based Text to Speech, a simple and efficient end-to-end text-to-speech model based on diffusion. E3 TTS directly takes plain text as input and generates an audio waveform through an iterative refinement…
Heterogeneity has been an indispensable aspect of distributed computing throughout the history of these systems. In particular, with the increasing prevalence of accelerator technologies (e.g., GPUs and TPUs) and the emergence of…
The analysis of complex multiphysics astrophysical simulations presents a unique and rapidly growing set of challenges: reproducibility, parallelization, and vast increases in data size and complexity chief among them. In order to meet…
Advantages of introducing the electron structure function (ESF) in electron induced processes are demonstrated. Contrary to the photon structure function it is directly measured in such processes. At present energies a simultaneous analysis…
We present second-order molecular cluster perturbation theory (MCPT(2)), a linear scaling methodology to calculate arbitrarily large systems with explicit calculation of individual wavefunctions in a coupled-cluster framework. This new…