相关论文: DP-GEN: A concurrent learning platform for the gen…

With increasing emphasis on carbon neutrality, accurate and efficient combustion prediction has become essential for the design and optimization of new generation combustion systems. This study established a computational framework by…

With gates of a quantum computer designed to encode multi-dimensional vectors, projections of quantum computer states onto specific qubit states can produce kernels of reproducing kernel Hilbert spaces. We show that quantum kernels obtained…

Deep generative models have shown immense potential in generating unseen data that has properties of real data. These models learn complex data-generating distributions starting from a smaller set of latent dimensions. However, generative…

Deep learning-based physical-layer secret key generation (PKG) has been used to overcome the imperfect uplink/downlink channel reciprocity in frequency division duplexing (FDD) orthogonal frequency division multiplexing (OFDM) systems.…

The operation and planning of large-scale power systems are becoming more challenging with the increasing penetration of stochastic renewable generation. In order to minimize the decision risks in power systems with large amount of…

Deep kernel learning is a promising combination of deep neural networks and nonparametric function learning. However, as a data driven approach, the performance of deep kernel learning can still be restricted by scarce or insufficient data,…

An efficient and trajectory-free active learning method is proposed to automatically sample data points for constructing globally accurate reactive potential energy surfaces (PESs) using neural networks (NNs). Although NNs do not provide…

Privacy-preserving releasing of complex data (e.g., image, text, audio) represents a long-standing challenge for the data mining research community. Due to rich semantics of the data and lack of a priori knowledge about the analysis task,…

We present an optimized implementation of the recently proposed symmetric gradient domain machine learning (sGDML) model. The sGDML model is able to faithfully reproduce global potential energy surfaces (PES) for molecules with a few dozen…

Machine Learning (ML) approximations to Density Functional Theory (DFT) potential energy surfaces (PESs) are showing great promise for reducing the computational cost of accurate molecular simulations, but at present they are not applicable…

Mixed-dimensional heterostructures composed of two-dimensional (2D) and three-dimensional (3D) materials are undisputed next-generation materials for engineered devices due to their changeable properties. The present work computationally…

We propose a novel diffusion map particle system (DMPS) for generative modeling, based on diffusion maps and Laplacian-adjusted Wasserstein gradient descent (LAWGD). Diffusion maps are used to approximate the generator of the corresponding…

This work introduces a novel probabilistic deep learning technique called deep Gaussian mixture ensembles (DGMEs), which enables accurate quantification of both epistemic and aleatoric uncertainty. By assuming the data generating process…

Deep generative replay has emerged as a promising approach for continual learning in decision-making tasks. This approach addresses the problem of catastrophic forgetting by leveraging the generation of trajectories from previously…

We present StdGEN++, a novel and comprehensive system for generating high-fidelity, semantically decomposed 3D characters from diverse inputs. Existing 3D generative methods often produce monolithic meshes that lack the structural…

While modern machine learning models rely on increasingly large training datasets, data is often limited in privacy-sensitive domains. Generative models trained with differential privacy (DP) on sensitive data can sidestep this challenge,…

Kernel models of potential energy surfaces (PES) for polyatomic molecules are often restricted by a specific choice of the kernel function. This can be avoided by optimizing the complexity of the kernel function. For regression problems…

Password guessing approaches via deep learning have recently been investigated with significant breakthroughs in their ability to generate novel, realistic password candidates. In the present work we study a broad collection of deep…

High-performance GPU kernels are critical to modern machine learning systems, yet developing efficient implementations remains a challenging, expert-driven process due to the tight coupling between algorithmic structure, memory hierarchy…

Deep generative models (DGMs) are data-eager because learning a complex model on limited data suffers from a large variance and easily overfits. Inspired by the classical perspective of the bias-variance tradeoff, we propose regularized…