ARX models predict thermal behavior of WBG semiconductors accurately.
arXiv research
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Framework learns inter-electronic potential for molecular dynamics.
Generative Adversarial Networks (GANs) represent a promising class of generative networks that combine neural networks with game theory. From generating realistic images and videos to assisting musical creation, GANs are transforming many fields of arts and sciences. However, their application to healthcare has not bee…
A universal interatomic potential for an arbitrary set of chemical elements is urgently needed in computational materials science. Graph convolution neural network (GCN) has rich expressive power, but previously was mainly employed to transport scalars and vectors, not rank tensors. As classic interatomic poten…
Stability in clinical prediction models is crucial for transferability between studies, yet has received little attention. The problem is paramount in high dimensional data which invites sparse models with feature selection capability. We introduce an effective method to stabilize sparse Cox model of time-to-events usi…
We analyze empirical data from the internet auction site Aukro.cz. The time series of activity shows truncated fractal structure on scales from about 1 minute to about 1 day. The distribution of waiting times as well as the distribution of number of auctions within fixed interval is a power law, with exponents an…
Predicting the biological function of molecules, be it proteins or drug-like compounds, from their atomic structure is an important and long-standing problem. Function is dictated by structure, since it is by spatial interactions that molecules interact with each other, both in terms of steric complementarity, as well …
Study on electronic banking satisfaction in Nigeria.
New method trains deep neural networks for non-interacting kinetic-energy functionals in DFT.
Four-dimensional scanning transmission electron microscopy (4D-STEM) of local atomic diffraction patterns is emerging as a powerful technique for probing intricate details of atomic structure and atomic electric fields. However, efficient processing and interpretation of large volumes of data remain challenging, especi…
Electronic power inverters are capable of quickly delivering reactive power to maintain customer voltages within operating tolerances and to reduce system losses in distribution grids. This paper proposes a systematic and data-driven approach to determine reactive power inverter output as a function of local measuremen…
Cellular Electron Cryo-Tomography (CECT) is a powerful imaging technique for the 3D visualization of cellular structure and organization at submolecular resolution. It enables analyzing the native structures of macromolecular complexes and their spatial organization inside single cells. However, due to the high degree …
Excited-state dynamics simulations are a powerful tool to investigate photo-induced reactions of molecules and materials and provide complementary information to experiments. Since the applicability of these simulation techniques is limited by the costs of the underlying electronic structure calculations, we develop an…
Method learns molecular Hamiltonian for accurate electron dynamics predictions.
DenSNet learns electron densities for molecular dynamics, enabling accurate spectroscopic predictions.
New method uses probabilistic independence to discover disease signatures from medical records.
Quantum hybrid vision transformers improve event classification in high energy physics.
Deep QMC method accurately computes electronic excited states.
We propose a decentralized Maximum Likelihood solution for estimating the stochastic renewable power generation and demand in single bus Direct Current (DC) MicroGrids (MGs), with high penetration of droop controlled power electronic converters. The solution relies on the fact that the primary control parameters are se…
Geometric framework for inverse problems using foliations and dual connections.
New model predicts particle precipitation from magnetosphere to ionosphere.
The paper proposes a method to identify power system oscillation modes using blind source separation.
Agent-based model simulates speculative electronic market with price bubbles.
We apply generative adversarial network (GAN) technology to build an event generator that simulates particle production in electron-proton scattering that is free of theoretical assumptions about underlying particle dynamics. The difficulty of efficiently training a GAN event simulator lies in learning the complicated …
Machine learning predicts electronic density of states for condensed matter.
Prototype for adaptive electron microscopy scans reduces dose and time.
This study applies neural models to automatically recognize medical entities from natural language.
[New and updated results were published in Nature Chemistry, doi:10.1038/s41557-020-0544-y.] The electronic Schrödinger equation describes fundamental properties of molecules and materials, but can only be solved analytically for the hydrogen atom. The numerically exact full configuration-interaction method is exponent…
Equivariant graph neural networks predict electron density for molecules, liquids, and solids.
Proposes a new model for predicting chronic conditions over time.
This paper presents the results of an automated volatile organic compound (VOC) classification process implemented by embedding a machine learning algorithm into an Arduino Uno board. An electronic nose prototype is constructed to detect VOCs from three different fruits. The electronic nose is constructed using an arra…
A new method predicts electron density accurately from atom-centered models.
Machine learning aids excited-state molecular dynamics studies.
Today, despite decades of developments in medicine and the growing interest in precision healthcare, vast majority of diagnoses happen once patients begin to show noticeable signs of illness. Early indication and detection of diseases, however, can provide patients and carers with the chance of early intervention, bett…
We consider the Dirac equation in flat Minkowski 3-space and rewrite it as the Maxwell equation in Minkowski 4-space with torsion. The torsion tensor is defined as the dual of the electromagnetic vector potential. Our model clearly distinguishes the electron and the positron without resorting to "negative frequencies":…
The paper presents a systematic review of state-of-the-art approaches to identify patient cohorts using electronic health records. It gives a comprehensive overview of the most commonly de-tected phenotypes and its underlying data sets. Special attention is given to preprocessing of in-put data and the different modeli…
We examine the correlation of the limit price with the order book, when a limit order comes. We analyzed the Rebuild Order Book of Stock Exchange Electronic Trading Service, which is the centralized order book market of London Stock Exchange. As a result, the limit price is broadly distributed around the best price acc…
Chemical reactions can be described as the stepwise redistribution of electrons in molecules. As such, reactions are often depicted using `arrow-pushing' diagrams which show this movement as a sequence of arrows. We propose an electron path prediction model (ELECTRO) to learn these sequences directly from raw reaction …
Optimal market making strategy for electronic markets with persistent order flows.
Develops methods to learn correlation potentials for time-dependent Kohn-Sham systems.
Data-driven approach discovers molecular photoswitches with separated electronic absorption bands.
Symmetry-electronic fingerprints reveal competing magnetic phases in two-dimensional materials.
AHEAD improves financial market efficiency through ad-hoc auctions.
The success of deep learning has brought forth a wave of interest in computer hardware design to better meet the high demands of neural network inference. In particular, analog computing hardware has been heavily motivated specifically for accelerating neural networks, based on either electronic, optical or photonic de…
Using a relationship between the moments of the probability distribution of times between the two consecutive trades (intertrade time distribution) and the moments of the distribution of a daily number of trades we show, that the underlying point process is essentially non-markovian. A detailed analysis of all trades i…
Accurate real-time monitoring systems of influenza outbreaks help public health officials make informed decisions that may help save lives. We show that information extracted from cloud-based electronic health records databases, in combination with machine learning techniques and historical epidemiological information,…
Significant success has been reported recently using deep neural networks for classification. Such large networks can be computationally intensive, even after training is over. Implementing these trained networks in hardware chips with a limited precision of synaptic weights may improve their speed and energy efficienc…
Paper develops a method for causal representation learning from irregular tensors.