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Extracting insight from the enormous quantity of data generated from molecular simulations requires the identification of a small number of collective variables whose corresponding low-dimensional free-energy landscape retains the essential…

Chemical Physics · Physics 2019-12-30 Yasemin Bozkurt Varolgunes , Tristan Bereau , Joseph F. Rudzinski

Multi-agent coordination is crucial for reliable multi-robot navigation in shared spaces such as automated warehouses. In regions of dense robot traffic, local coordination methods may fail to find a deadlock-free solution. In these…

Robotics · Computer Science 2025-03-06 Yue Meng , Nathalie Majcherczyk , Wenliang Liu , Scott Kiesel , Chuchu Fan , Federico Pecora

Quantum transducers are critical for quantum interconnect, enabling coherent signal transfer across disparate frequency domains. Beyond material and device advances, protocol design has become a powerful means to improve transduction. We…

Quantum Physics · Physics 2026-03-05 Pengcheng Liao , Haowei Shi , Quntao Zhuang

A fundamental limitation of probabilistic deep learning is its predominant reliance on Gaussian priors. This simplistic assumption prevents models from accurately capturing the complex, non-Gaussian landscapes of natural data, particularly…

Machine Learning · Computer Science 2025-08-18 Feng-ao Wang , Shaobo Chen , Yao Xuan , Junwei Liu , Qi Gao , Hongdong Zhu , Junjie Hou , Lixin Yuan , Jinyu Cheng , Chenxin Yi , Hai Wei , Yin Ma , Tao Xu , Kai Wen , Yixue Li

Given the complex geometry of white matter streamlines, Autoencoders have been proposed as a dimension-reduction tool to simplify the analysis streamlines in a low-dimensional latent spaces. However, despite these recent successes, the…

Machine Learning · Statistics 2023-11-21 Andrew Lizarraga , Brandon Taraku , Edouardo Honig , Ying Nian Wu , Shantanu H. Joshi

Integrating physics models within machine learning models holds considerable promise toward learning robust models with improved interpretability and abilities to extrapolate. In this work, we focus on the integration of incomplete physics…

Machine Learning · Computer Science 2021-10-28 Naoya Takeishi , Alexandros Kalousis

The popular VQ-VAE models reconstruct images through learning a discrete codebook but suffer from a significant issue in the rapid quality degradation of image reconstruction as the compression rate rises. One major reason is that a higher…

Computer Vision and Pattern Recognition · Computer Science 2023-11-07 Xinmiao Lin , Yikang Li , Jenhao Hsiao , Chiuman Ho , Yu Kong

In recent years, deep generative models have been successfully adopted for various molecular design tasks, particularly in the life and material sciences. A critical challenge for pre-trained generative molecular design (GMD) models is to…

Machine Learning · Computer Science 2024-06-03 A N M Nafiz Abeer , Sanket Jantre , Nathan M Urban , Byung-Jun Yoon

Conformational sampling of biomolecules using molecular dynamics simulations often produces large amount of high dimensional data that makes it difficult to interpret using conventional analysis techniques. Dimensionality reduction methods…

Biomolecules · Quantitative Biology 2021-12-08 Mahdi Ghorbani , Samarjeet Prasad , Jeffery B. Klauda , Bernard R. Brooks

Approximate computing offers promising energy efficiency benefits for error-tolerant applications, but discovering optimal approximations requires extensive design space exploration (DSE). Predicting the accuracy of circuits composed of…

Hardware Architecture · Computer Science 2026-03-20 Ondrej Vlcek , Vojtech Mrazek

In this paper, we consider the problem of preamble design in multiple-input multiple-output (MIMO) systems employing offset quadrature amplitude modulation based filter bank multicarrier (OQAM/FBMC) and propose a preamble optimization…

Information Theory · Computer Science 2018-02-13 Wenfeng Liu , Da Chen , Kai Luo , Tao Jiang , Daiming Qu

In this work, we investigate a simple and must-known conditional generative framework based on Vector Quantised-Variational AutoEncoder (VQ-VAE) and Generative Pre-trained Transformer (GPT) for human motion generation from textural…

Computer Vision and Pattern Recognition · Computer Science 2023-09-26 Jianrong Zhang , Yangsong Zhang , Xiaodong Cun , Shaoli Huang , Yong Zhang , Hongwei Zhao , Hongtao Lu , Xi Shen

Many different methods to train deep generative models have been introduced in the past. In this paper, we propose to extend the variational auto-encoder (VAE) framework with a new type of prior which we call "Variational Mixture of…

Machine Learning · Computer Science 2018-02-27 Jakub M. Tomczak , Max Welling

In recent years, the field of machine learning has made phenomenal progress in the pursuit of simulating real-world data generation processes. One notable example of such success is the variational autoencoder (VAE). In this work, with a…

Machine Learning · Statistics 2021-12-30 Hwan Goh , Sheroze Sheriffdeen , Jonathan Wittmer , Tan Bui-Thanh

To address the challenges in learning deep generative models (e.g.,the blurriness of variational auto-encoder and the instability of training generative adversarial networks, we propose a novel deep generative model, named…

Machine Learning · Computer Science 2019-02-26 Shunkang Zhang , Yuan Gao , Yuling Jiao , Jin Liu , Yang Wang , Can Yang

Probabilistic generative models are attractive for scientific modeling because their inferred parameters can be used to generate hypotheses and design experiments. This requires that the learned model provide an accurate representation of…

Machine Learning · Statistics 2023-01-18 Liyun Tu , Austin Talbot , Neil Gallagher , David Carlson

Data-driven flow-field reconstruction typically relies on autoencoder architectures that compress high-dimensional states into low-dimensional latent representations. However, classical approaches such as variational autoencoders (VAEs)…

Machine Learning · Computer Science 2026-01-14 AmirPouya Hemmasian , Amir Barati Farimani

Hybrid analog/digital precoding allows millimeter wave MIMO systems to leverage large antenna array gains while permitting low cost and power consumption hardware. Most prior work has focused on hybrid precoding for narrow-band mmWave…

Information Theory · Computer Science 2016-01-28 Ahmed Alkhateeb , Robert W. Heath

Widely used deep latent variable models (DLVMs), in particular Variational Autoencoders (VAEs), employ overly simplistic priors on the latent space. To achieve strong clustering performance, existing methods that replace the standard normal…

Machine Learning · Computer Science 2025-03-12 Andrew A. Stirn , David A. Knowles

Many real-world problems require reasoning across multiple scales, demanding models which operate not on single data points, but on entire distributions. We introduce generative distribution embeddings (GDE), a framework that lifts…

Machine Learning · Computer Science 2026-02-23 Nic Fishman , Gokul Gowri , Peng Yin , Jonathan Gootenberg , Omar Abudayyeh
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