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In Materials Science, material development involves evaluating and optimizing the internal structures of the material, generically referred to as microstructures. Microstructures structure is stochastic, analogously to image textures. A…
Autoencoders exhibit impressive abilities to embed the data manifold into a low-dimensional latent space, making them a staple of representation learning methods. However, without explicit supervision, which is often unavailable, the…
Diffusion magnetic resonance imaging (dMRI) is an important tool in characterizing tissue microstructure based on biophysical models, which are complex and highly non-linear. Resolving microstructures with optimization techniques is prone…
Microscopy techniques generate vast amounts of complex image data that in principle can be used to discover simpler, interpretable, and parsimonious forms to reveal the underlying physical structures, such as elementary building blocks in…
Phase-field modeling is an elegant and versatile computation tool to predict microstructure evolution in materials in the mesoscale regime. However, these simulations require rigorous numerical solutions of differential equations, which are…
In this work we introduce an Autoencoder for molecular conformations. Our proposed model converts the discrete spatial arrangements of atoms in a given molecular graph (conformation) into and from a continuous fixed-sized latent…
Aluminum alloys are increasingly utilized as lightweight materials in the automobile industry due to their superior capability in withstanding high mechanical loads. A significant challenge impeding the large-scale use of these alloys in…
In this paper, a methodology for fine scale modeling of large scale structures is proposed, which combines the variational multiscale method, domain decomposition and model order reduction. The influence of the fine scale on the coarse…
Image acquisition techniques such as micro-computed tomography are nowadays widely available. Quantitative analysis of the resulting 3D image data enables geometric characterization of the micro-structure of materials. Stochastic geometry…
Intracranial recordings have opened a unique opportunity to simultaneously measure activity across multiregional networks in the human brain. Recent works have focused on developing transformer-based neurofoundation models of such…
Shape priors learned from data are commonly used to reconstruct 3D objects from partial or noisy data. Yet no such shape priors are available for indoor scenes, since typical 3D autoencoders cannot handle their scale, complexity, or…
Modelling multivariate spatio-temporal data with complex dependency structures is a challenging task but can be simplified by assuming that the original variables are generated from independent latent components. If these components are…
Variational autoencoders employ an encoding neural network to generate a probabilistic representation of a data set within a low-dimensional space of latent variables followed by a decoding stage that maps the latent variables back to the…
In this paper, we present a framework for multiscale topology optimization of fluid-flow devices. The objective is to minimize dissipated power, subject to a desired contact-area. The proposed strategy is to design optimal microstructures…
Electron and scanning probe microscopy produce vast amounts of data in the form of images or hyperspectral data, such as EELS or 4D STEM, that contain information on a wide range of structural, physical, and chemical properties of…
Deformation component analysis is a fundamental problem in geometry processing and shape understanding. Existing approaches mainly extract deformation components in local regions at a similar scale while deformations of real-world objects…
Spatially localized deformation components are very useful for shape analysis and synthesis in 3D geometry processing. Several methods have recently been developed, with an aim to extract intuitive and interpretable deformation components.…
Materials exhibit geometric structures across mesoscopic to microscopic scales, influencing macroscale properties such as appearance, mechanical strength, and thermal behavior. Capturing and modeling these multiscale structures is…
Understanding material surfaces and interfaces is vital in applications like catalysis or electronics. By combining energies from electronic structure with statistical mechanics, ab initio simulations can in principle predict the structure…
Local causal states are latent representations that capture organized pattern and structure in complex spatiotemporal systems. We expand their functionality, framing them as spacetime autoencoders. Previously, they were only considered as…