Machine learning predicts electron correlations in disordered materials.
problem Predicting electron correlations in disordered materials.
method Combining neural networks with many-body techniques to learn electron behavior in the Anderson-Hubbard model.
result A neural network accurately predicts electron correlation properties in disordered systems.
Develops methods to learn correlation potentials for time-dependent Kohn-Sham systems.
problem Learning the correlation potential for time-dependent Kohn-Sham systems.
method Optimizing a least-squares objective subject to the TDKS equation using adjoints.
result Learned correlation potential models match ground truth electron densities and can have memory.
Proposes a new model for EHR data using time-dependent Gaussian processes.
problem Joint modeling of multiple clinical variables over time.
method Multivariate nonstationary Gaussian processes with time-varying parameters and posterior inference via HMC.
result The proposed model outperforms stationary models and reveals latent correlations predictive of patient risk.
Model predicts patient trajectories and interventions from EMR data.
problem Forecasting patient outcomes from EMR data.
method Deep state space generative model capturing latent state dynamics.
result Model outperforms state-of-the-art methods on real EMR data.
Framework learns inter-electronic potential for molecular dynamics.
problem Predicting time-dependent Hartree-Fock dynamics from electron density.
method Developed three models using four-index tensors, preserving symmetries.
result Model with eight-fold symmetry performs best across metrics.
Equivariant graph neural networks predict electron density for molecules, liquids, and solids.
problem Predicting electron density for molecules, liquids, and solids using machine learning.
method Equivariant graph neural networks for predicting electron density at query points.
result The model predicts electron density with accuracy beyond state of the art and significantly faster than traditional DFT methods.
Deep learning wave function improves quantum chemistry calculations.
problem Solving the electronic Schrödinger equation for complex molecules is computationally expensive.
method PauliNet, a deep learning wave function ansatz that incorporates physics and is trained with VMC.
result PauliNet achieves nearly exact solutions and outperforms other methods for various molecules.
New method trains deep neural networks for non-interacting kinetic-energy functionals in DFT.
problem Lack of exact relationship between electron density and non-interacting kinetic energy.
method Variational principle to regularize machine-learned density functionals.
result Excellent results on kinetic-energy functionals for various systems.
Deep QMC ansatzes improve variational QMC accuracy.
problem Improving variational QMC accuracy with neural network ansatzes.
method Analysis of deep neural network ansatzes PauliNet and FermiNet convergence to fixed-node limit.
result Deep QMC ansatzes can reach fixed-node limit with large network sizes.
CorGAN generates synthetic healthcare records while preserving privacy.
problem Generating realistic synthetic healthcare records while maintaining privacy.
method Combining Convolutional Generative Adversarial Networks and Convolutional Autoencoders to capture correlations between medical features.
result CorGAN generates synthetic data with performance similar to real data in various ML settings.
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…
Study validates machine learning models for patient outcomes using various methods.
problem Validating machine learning models for patient outcomes in electronic health records.
method Used three state-of-the-art machine learning methods (random forest, gradient boosting, logistic regression) to predict patient outcomes and assess feature importance.
result Permutation tests applied to random forest and gradient boosting models showed the most agreement with clinical interpretation of feature importance.
We study the dynamic evolution of cross-correlations in the Chinese stock market mainly based on the random matrix theory (RMT). The correlation matrices constructed from the return series of 367 A-share stocks traded on the Shanghai Stock Exchange from January 4, 1999 to December 30, 2011 are calculated over a moving …
New method generates diverse EHR data types while maintaining privacy.
problem Privacy risks in sharing EHRs across large scales.
method Refined GAN model, feature constraints, and utility measures.
result New model preserves EHR statistics, correlations, and constraints.
We develop correlated random measures, random measures where the atom weights can exhibit a flexible pattern of dependence, and use them to develop powerful hierarchical Bayesian nonparametric models. Hierarchical Bayesian nonparametric models are usually built from completely random measures, a Poisson-process based c…
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…
Physics-informed ML models improve turbulence understanding in fusion plasmas.
problem Improving turbulence modeling in fusion plasma devices.
method Physics-informed deep learning framework constrained by PDEs.
result Direct quantitative comparisons of turbulent fields between theory and gyrokinetic models.
Paper proposes a graph network for EHR data that learns robust representations.
problem Learning robust representations for EHR data with implicit connections.
method Variationally regularized encoder-decoder graph network.
result Model outperforms existing methods in various EHR predictive tasks.
Study on electronic banking satisfaction in Nigeria.
problem Limited research on factors enhancing end users' satisfaction in electronic banking.
method Empirical analysis of factors influencing electronic banking user satisfaction.
result Factors influencing electronic banking user satisfaction and their relationship with satisfaction.
FAT-GAN simulates electron-proton scattering without theoretical assumptions.
problem Efficiently training GANs to simulate complex particle distributions.
method Developed FAT-GAN using transformed and augmented features to improve GAN performance.
result FAT-GAN accurately reproduces electron momenta distributions in electron-proton scattering.
Privacy-preserving synthetic data from EHRs for learning and inference.
problem Sharing sensitive EHR data while maintaining patient privacy.
method Differentially private normalizing flows for density estimation and variational inference.
result Privacy-preserving synthetic data can yield good utility at a reasonable privacy cost.
Study predicts turbulent electric fields in fusion plasmas using deep learning.
problem Predicting turbulent electric fields in fusion plasmas.
method Physics-informed deep learning, drift-reduced Braginskii theory, experimental data.
result Neutrals broaden turbulent field amplitudes and increase shearing rates.
Deep learning models improved sentence similarity in medical records.
problem Improving sentence similarity in electronic medical records.
method Developed models using traditional machine learning and deep learning approaches, pre-trained sentence embeddings on biomedical corpora.
result Ensembled model achieved a Person correlation coefficient of 0.8528.
Method learns molecular Hamiltonian for accurate electron dynamics predictions.
problem Predict electron dynamics in molecules using learned Hamiltonians.
method Combines linear statistical model with quantum Liouville equation time discretization.
result Predicted electron dynamics closely matches ground truth, even beyond training data.
DenSNet learns electron densities for molecular dynamics, enabling accurate spectroscopic predictions.
problem Lack of accurate electronic observables in MLIPs for molecular dynamics.
method DenSNet uses SE(3)-equivariant neural networks to predict electron densities and total energy.
result DenSNet predicts infrared spectra with excellent agreement to experimental data.
New algorithms improve MPBART for HIV patient data.
problem Improving inference for multinomial outcomes in HIV patient data.
method Introduced two new algorithms for fitting MPBART.
result Better performance in MCMC convergence and predictive accuracy.
We show that the cost of market orders and the profit of infinitesimal market-making or -taking strategies can be expressed in terms of directly observable quantities, namely the spread and the lag-dependent impact function. Imposing that any market taking or liquidity providing strategies is at best marginally profita…
Deep QMC method accurately computes electronic excited states.
problem Accurate calculation of electronic excited states in large systems.
method Extends variational QMC with deep neural networks for excited states.
result Consistently achieves high accuracy for low-lying excited states.
Patient2Vec learns personalized deep EHR representations for better health outcomes prediction.
problem Complexities in EHR data hinder machine learning applications.
method Patient2Vec: A personalized deep learning framework for longitudinal EHR data.
result Patient2Vec achieves AUC of 0.799 in predicting future hospitalizations, outperforming baseline methods.
The paper investigates causal relationships in heart failure prediction using machine learning.
problem Understanding the causal relationships between clinical variables and heart failure.
method Proposes a new computational framework for causal structure discovery (CSD) of mixed-type clinical variables for binary disease outcomes.
result Feature importance from nonlinear classifiers strongly correlates with causal strength of variables, but not differentiating cause and effect.
Agent-based model simulates speculative electronic market with price bubbles.
problem Understanding speculative behavior and price bubbles in electronic markets.
method Agent-based model with two types of traders: mean reverting and speculative.
result Speculative traders lead to increased volatility and price deviations from fundamental value.
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 generating times of the trades is an essentially non-markovian lo…
Machine learning predicts electronic density of states for condensed matter.
problem Predicting the electronic density of states (DOS) in complex condensed matter systems.
method Developed a machine learning framework to predict DOS from density functional theory data, considering geometric configurations of atoms.
result Demonstrated the model's effectiveness in predicting DOS and its components for various silicon configurations.
Automated VOC classification using embedded machine learning.
problem Classifying volatile organic compounds (VOCs) from electronic nose data.
method Embedded machine learning algorithm on Arduino Uno for VOC detection.
result 99% classification accuracy achieved in embedded solution.
New method for accurate Bayesian inference in GLMMs for large-scale data.
problem Challenges in scalable Bayesian inference for GLMMs due to intractable marginal likelihood and high computational cost.
method Stochastic gradient Markov Chain Monte Carlo (SGMCMC) algorithm using Fisher's identity for gradient estimation.
result Accurate posterior inference in large-sample settings with properly calibrated uncertainty.
Prototype for adaptive electron microscopy scans reduces dose and time.
problem Reduce electron microscopy scan time and dose with minimal loss.
method Adaptive partial scanning with reinforcement learning.
result Reinforcement learning trained neural network optimizes scan paths.
Atoms and molecules are important conceptual entities we invented to understand the physical world around us. The key to their usefulness lies in the organization of nuclear and electronic degrees of freedom into a single dynamical variable whose time evolution we can better imagine. The use of such effective variables…
Improves representation learning for individual treatment effect estimation.
problem Estimating individual treatment effects with high accuracy.
method Introduces a structure keeper to maintain correlation between baseline covariates and representations, trains a discriminator to balance representation and information loss.
result Proposed SMRL algorithm minimizes treatment estimation error and outperforms state-of-the-art methods.
A new method predicts electron density accurately from atom-centered models.
problem Predicting electron density accurately from atom-centered models.
method Gradient-based approach to minimize loss function in an optimized sparse feature space.
result Extremely accurate predictions of electron density and total energies.
Neural network predicts electron-ionization mass spectra quickly.
problem Identifying unknown molecules not in existing libraries.
method Lightweight neural network model for predicting mass spectra.
result High accuracy predictions of small molecule mass spectra.
Machine learning aids excited-state molecular dynamics studies.
problem Challenges in studying electronically excited states of molecules.
method Employing machine learning techniques for excited-state molecular dynamics.
result Highlight successes and challenges in machine learning for excited-state processes.
Predicting diagnoses from Electronic Health Records (EHRs) is an important medical application of multi-label learning. We propose a convolutional residual model for multi-label classification from doctor notes in EHR data. A given patient may have multiple diagnoses, and therefore multi-label learning is required. We …
Paper proposes a method to reduce sensor drift in electronic noses.
problem Sensor drift in electronic noses.
method Discriminative subspace projection approach.
result The method minimizes within-class variance and maximizes between-class variance using label information.
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…
Unified machine learning predicts molecular wavefunctions efficiently.
problem Lack of explicit electronic structure in machine learning models for chemistry.
method Deep neural network for quantum mechanical wavefunction prediction.
result Efficient prediction of molecular wavefunctions with full electronic structure access.
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 …
The paper discusses challenges and solutions in trading using AI.
problem Challenges in data-driven learning for electronic trading.
method Explains neural information processing and machine learning approaches.
result Outlines the challenges and solutions in trading AI.