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Modeling the time-dependent evolution of electron density is essential for understanding quantum mechanical behaviors of condensed matter and enabling predictive simulations in spectroscopy, photochemistry, and ultrafast science. Yet, while…

计算物理 · 物理学 2025-09-03 Yuan Chiang , Youngsoo Choi , Daniel Osei-Kuffuor

We introduce the Kernel-Elastic Autoencoder (KAE), a self-supervised generative model based on the transformer architecture with enhanced performance for molecular design. KAE is formulated based on two novel loss functions: modified…

机器学习 · 计算机科学 2024-03-26 Haote Li , Yu Shee , Brandon Allen , Federica Maschietto , Victor Batista

This paper studies the fundamental problem of learning multi-layer generator models. The multi-layer generator model builds multiple layers of latent variables as a prior model on top of the generator, which benefits learning complex data…

计算机视觉与模式识别 · 计算机科学 2023-10-13 Jiali Cui , Ying Nian Wu , Tian Han

Variational autoencoders (VAEs) are powerful generative models with the salient ability to perform inference. Here, we introduce a quantum variational autoencoder (QVAE): a VAE whose latent generative process is implemented as a quantum…

Hybrid constitutive modeling integrates two complementary approaches for describing and predicting a material's mechanical behavior: purely data-driven black-box methods and physically constrained, theory-based models. While black-box…

计算物理 · 物理学 2025-02-28 Kian P. Abdolazizi , Roland C. Aydin , Christian J. Cyron , Kevin Linka

In this paper, we present Convolutional Kolmogorov-Arnold Networks, a novel architecture that integrates the learnable spline-based activation functions of Kolmogorov-Arnold Networks (KANs) into convolutional layers. By replacing…

计算机视觉与模式识别 · 计算机科学 2025-04-01 Alexander Dylan Bodner , Antonio Santiago Tepsich , Jack Natan Spolski , Santiago Pourteau

This paper proposes a joint training method to learn both the variational auto-encoder (VAE) and the latent energy-based model (EBM). The joint training of VAE and latent EBM are based on an objective function that consists of three…

计算机视觉与模式识别 · 计算机科学 2020-06-12 Tian Han , Erik Nijkamp , Linqi Zhou , Bo Pang , Song-Chun Zhu , Ying Nian Wu

Despite their ubiquity, variational autoencoders (VAEs) inherently suffer from posterior collapse, a failure mode in which latent variables are effectively ignored. This failure arises because explicit prior imposition drives optimization…

机器学习 · 计算机科学 2026-05-18 Hazhir Aliahmadi , Irina Babayan , Greg van Anders

Kolmogorov-Arnold Networks represent a recent advancement in machine learning, with the potential to outperform traditional perceptron-based neural networks across various domains as well as provide more interpretability with the use of…

高能物理 - 唯象学 · 物理学 2024-09-26 E. Abasov , P. Volkov , G. Vorotnikov , L. Dudko , A. Zaborenko , E. Iudin , A. Markina , M. Perfilov

We would like to learn latent representations that are low-dimensional and highly interpretable. A model that has these characteristics is the Gaussian Process Latent Variable Model. The benefits and negative of the GP-LVM are complementary…

机器学习 · 统计学 2017-12-19 Erik Bodin , Iman Malik , Carl Henrik Ek , Neill D. F. Campbell

Variational autoencoders (VAE) represent a popular, flexible form of deep generative model that can be stochastically fit to samples from a given random process using an information-theoretic variational bound on the true underlying…

机器学习 · 计算机科学 2019-10-08 Bin Dai , Yu Wang , John Aston , Gang Hua , David Wipf

Variational Autoencoders (VAEs), as a form of deep generative model, have been widely used in recent years, and shown great great peformance in a number of different domains, including image generation and anomaly detection, etc.. This…

机器学习 · 计算机科学 2024-08-28 Liang Cheng , Peiyuan Guan , Amir Taherkordi , Lei Liu , Dapeng Lan

While most modern machine learning methods offer speed and accuracy, few promise interpretability or explainability -- two key features necessary for highly sensitive industries, like medicine, finance, and engineering. Using eight datasets…

机器学习 · 计算机科学 2025-04-08 Nataly R. Panczyk , Omer F. Erdem , Majdi I. Radaideh

Kolmogorov GAM (K-GAM) networks are shown to be an efficient architecture for training and inference. They are an additive model with an embedding that is independent of the function of interest. They provide an alternative to the…

机器学习 · 计算机科学 2025-01-03 Sarah Polson , Vadim Sokolov

Modeling wireless channels accurately remains a challenge due to environmental variations and signal uncertainties. Recent neural networks can learn radio frequency~(RF) signal propagation patterns, but they process each voxel on the ray…

网络与互联网体系结构 · 计算机科学 2026-01-28 Jingzhou Shen , Xuyu Wang

Symbolic neural networks, such as Kolmogorov-Arnold Networks (KAN), offer a promising approach for integrating prior knowledge with data-driven methods, making them valuable for addressing inverse problems in scientific and engineering…

机器学习 · 计算机科学 2024-11-05 Xia Chen , Guoquan Lv , Xinwei Zhuang , Carlos Duarte , Stefano Schiavon , Philipp Geyer

Current state-of-the-art generative models map noise to data distributions by matching flows or scores. A key limitation of these models is their inability to readily integrate available partial observations and additional priors. In…

Variational autoencoders (VAEs) and generative adversarial networks (GANs) enjoy an intuitive connection to manifold learning: in training the decoder/generator is optimized to approximate a homeomorphism between the data distribution and…

机器学习 · 计算机科学 2020-08-28 Henry Li , Ofir Lindenbaum , Xiuyuan Cheng , Alexander Cloninger

Despite recent successes in synthesizing faces and bedrooms, existing generative models struggle to capture more complex image types, potentially due to the oversimplification of their latent space constructions. To tackle this issue,…

机器学习 · 计算机科学 2018-03-13 Wenling Shang , Kihyuk Sohn , Yuandong Tian

Kolmogorov-Arnold Networks (KANs) are emerging as a powerful framework for interpretable and efficient system identification in dynamic systems. By leveraging the Kolmogorov-Arnold representation theorem, KANs enable function approximation…

机器学习 · 计算机科学 2025-06-13 Nart Gashi , Panagiotis Kakosimos , George Papafotiou