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Autoencoders are commonly used in representation learning. They consist of an encoder and a decoder, which provide a straightforward way to map n-dimensional data in input space to a lower m-dimensional representation space and back. The…

机器学习 · 计算机科学 2021-11-16 Viktoria Schuster , Anders Krogh

Cellular electron cryo-tomography enables the 3D visualization of cellular organization in the near-native state and at submolecular resolution. However, the contents of cellular tomograms are often complex, making it difficult to…

定量方法 · 定量生物学 2017-12-29 Xiangrui Zeng , Miguel Ricardo Leung , Tzviya Zeev-Ben-Mordehai , Min Xu

This paper proposes a novel low-rank approximation to the multivariate State-Space Model. The Stochastic Partial Differential Equation (SPDE) approach is applied component-wise to the independent-in-time Mat\'ern Gaussian innovation term in…

统计方法学 · 统计学 2025-09-17 Jacopo Rodeschini , Lorenzo Tedesco , Francesco Finazzi , Philipp Otto , Alessandro Fassò

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…

化学物理 · 物理学 2019-12-30 Yasemin Bozkurt Varolgunes , Tristan Bereau , Joseph F. Rudzinski

Modeling the dynamic behavior of deformable objects is crucial for creating realistic digital worlds. While conventional simulations produce high-quality motions, their computational costs are often prohibitive. Subspace simulation…

Dimension of the encoder output (i.e., the code layer) in an autoencoder is a key hyper-parameter for representing the input data in a proper space. This dimension must be carefully selected in order to guarantee the desired reconstruction…

机器学习 · 计算机科学 2021-02-02 Pedram Fekri , Ali Akbar Safavi , Mehrdad Hosseini Zadeh , Peyman Setoodeh

Finding a reduction of complex, high-dimensional dynamics to its essential, low-dimensional "heart" remains a challenging yet necessary prerequisite for designing efficient numerical approaches. Machine learning methods have the potential…

动力系统 · 数学 2022-06-15 Przemyslaw Zielinski , Jan S. Hesthaven

We propose a new microscopy simulation system that can depict atomistic models in a micrograph visual style, similar to results of physical electron microscopy imaging. This system is scalable, able to represent simulation of electron…

定量方法 · 定量生物学 2026-03-27 Ngan Nguyen , Feng Liang , Dominik Engel , Ciril Bohak , Peter Wonka , Timo Ropinski , Ivan Viola

We present a variational autoencoder framework for learning and generating configurations of structured polymer globules from distance matrices. We used coarse-grained molecular dynamics to sample polyethylene structures, which we used as…

We propose a data-driven 3D shape design method that can learn a generative model from a corpus of existing designs, and use this model to produce a wide range of new designs. The approach learns an encoding of the samples in the training…

This work presents a non-intrusive surrogate modeling scheme based on machine learning technology for predictive modeling of complex systems, described by parametrized time-dependent PDEs. For these problems, typical finite element…

数值分析 · 数学 2021-04-26 Stefanos Nikolopoulos , Ioannis Kalogeris , Vissarion Papadopoulos

In this paper, we investigate some micromechanical aspects of elasto-plasticity in heterogeneous geomaterials. The aim is to upscale the elasto-plastic behavior for a representative volume of the material which is indeed a very challenging…

计算工程、金融与科学 · 计算机科学 2020-11-25 Mahdad Eghbalian , Mehdi Pouragha , Richard Wan

The representation of geometry in real-time 3D perception systems continues to be a critical research issue. Dense maps capture complete surface shape and can be augmented with semantic labels, but their high dimensionality makes them…

计算机视觉与模式识别 · 计算机科学 2019-04-16 Michael Bloesch , Jan Czarnowski , Ronald Clark , Stefan Leutenegger , Andrew J. Davison

Learning robust representations of 3D shapes from voxelized data is essential for advancing AI methods in biomedical imaging. However, most contemporary 3D computer vision approaches operate on point clouds, meshes, or octrees, while…

图像与视频处理 · 电气工程与系统科学 2026-03-05 Rui Li , Artsemi Yushkevich , Mikhail Kudryashev , Artur Yakimovich

While many phenomena in physics and engineering are formally high-dimensional, their long-time dynamics often live on a lower-dimensional manifold. The present work introduces an autoencoder framework that combines implicit regularization…

机器学习 · 计算机科学 2023-12-07 Kevin Zeng , Carlos E. Pérez De Jesús , Andrew J. Fox , Michael D. Graham

Numerical modeling of viscoelastic properties is critical to developing the structure-property relationship of polymer nanocomposites. While it is recognized that the altered polymer region near filler particles, the interphase,…

In spatial blind source separation the observed multivariate random fields are assumed to be mixtures of latent spatially dependent random fields. The objective is to recover latent random fields by estimating the unmixing transformation.…

统计方法学 · 统计学 2024-04-12 Mika Sipilä , Klaus Nordhausen , Sara Taskinen

Learning compact and meaningful latent space representations has been shown to be very useful in generative modeling tasks for visual data. One particular example is applying Vector Quantization (VQ) in variational autoencoders (VQ-VAEs,…

机器学习 · 计算机科学 2024-09-18 Xin Li , Anand Sarwate

We study an element agglomeration coarsening strategy that requires data redistribution at coarse levels when the number of coarse elements becomes smaller than the used computational units (cores). The overall procedure generates coarse…

Fast and efficient simulations of metal additive manufacturing (AM) processes are highly relevant to exploring the full potential of this promising manufacturing technique. The microstructure composition plays an important role in…

计算工程、金融与科学 · 计算机科学 2024-02-28 Sebastian D. Proell , Julian Brotz , Martin Kronbichler , Wolfgang A. Wall , Christoph Meier