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Variational autoencoders (VAEs) are powerful deep generative models widely used to represent high-dimensional complex data through a low-dimensional latent space learned in an unsupervised manner. In the original VAE model, the input data…
The recently developed variational autoencoders (VAEs) have proved to be an effective confluence of the rich representational power of neural networks with Bayesian methods. However, most work on VAEs use a rather simple prior over the…
Finding an interpretable non-redundant representation of real-world data is one of the key problems in Machine Learning. Biological neural networks are known to solve this problem quite well in unsupervised manner, yet unsupervised…
Thin films are ubiquitous in modern technology and highly useful in materials discovery and design. For achieving optimal extrinsic properties their microstructure needs to be controlled in a multi-parameter space, which usually requires a…
A variational autoencoder (VAE) is a probabilistic machine learning framework for posterior inference that projects an input set of high-dimensional data to a lower-dimensional, latent space. The latent space learned with a VAE offers…
Kernel classifiers and regressors designed for structured data, such as sequences, trees and graphs, have significantly advanced a number of interdisciplinary areas such as computational biology and drug design. Typically, kernels are…
Multimodal dimensional emotion recognition has drawn a great attention from the affective computing community and numerous schemes have been extensively investigated, making a significant progress in this area. However, several questions…
Many applications, such as text modelling, high-throughput sequencing, and recommender systems, require analysing sparse, high-dimensional, and overdispersed discrete (count-valued or binary) data. Although probabilistic matrix…
We investigate how symmetries present in datasets affect the structure of the latent space learned by Variational Autoencoders (VAEs). By training VAEs on data originating from simple mechanical systems and particle collisions, we analyze…
Structured variational autoencoders (SVAEs) combine probabilistic graphical model priors on latent variables, deep neural networks to link latent variables to observed data, and structure-exploiting algorithms for approximate posterior…
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…
High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…
Autoencoders are powerful machine learning models used to compress information from multiple data sources. However, autoencoders, like all artificial neural networks, are often unidentifiable and uninterpretable. This research focuses on…
We investigate methods of microstructure representation for the purpose of predicting processing condition from microstructure image data. A binary alloy (uranium-molybdenum) that is currently under development as a nuclear fuel was studied…
Time series sequence prediction and modelling has proven to be a challenging endeavor in real world datasets. Two key issues are the multi-dimensionality of data and the interaction of independent dimensions forming a latent output signal,…
Urban analytics utilizes extensive datasets with diverse urban information to simulate, predict trends, and uncover complex patterns within cities. While these data enables advanced analysis, it also presents challenges due to its…
Hierarchical structures exhibit critical features across multiple scales. However, designing multiscale structures demands significant computational resources, and ensuring connectivity between microstructures remains a key challenge. To…
The manifold hypothesis states that high-dimensional data can be modeled as lying on or near a low-dimensional, nonlinear manifold. Variational Autoencoders (VAEs) approximate this manifold by learning mappings from low-dimensional latent…
Machine-learning models have demonstrated a great ability to learn complex patterns and make predictions. In high-dimensional nonlinear problems of fluid dynamics, data representation often greatly affects the performance and…
Pattern extraction algorithms are enabling insights into the ever-growing amount of today's datasets by translating reoccurring data properties into compact representations. Yet, a practical problem arises: With increasing data volumes and…