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Latent space geometry provides a rigorous and empirically valuable framework for interacting with the latent variables of deep generative models. This approach reinterprets Euclidean latent spaces as Riemannian through a pull-back metric,…
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…
The contractive auto-encoder learns a representation of the input data that captures the local manifold structure around each data point, through the leading singular vectors of the Jacobian of the transformation from input to…
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…
The ability of deep neural networks to generalize well in the overparameterized regime has become a subject of significant research interest. We show that overparameterized autoencoders exhibit memorization, a form of inductive bias that…
Physics-constrained data-driven computing is an emerging computational paradigm that allows simulation of complex materials directly based on material database and bypass the classical constitutive model construction. However, it remains…
To have a superior generalization, a deep learning neural network often involves a large size of training sample. With increase of hidden layers in order to increase learning ability, neural network has potential degradation in accuracy.…
A fundamental aspect of limitations in learning any computation in neural architectures is characterizing their optimal capacities. An important, widely-used neural architecture is known as autoencoders where the network reconstructs the…
There has been a lot of recent interest in designing neural network models to estimate a distribution from a set of examples. We introduce a simple modification for autoencoder neural networks that yields powerful generative models. Our…
Autoencoders are neural network formulations where the input and output of the network are identical and the goal is to identify the hidden representation in the provided datasets. Generally, autoencoders project the data nonlinearly onto a…
A rapidly growing area of research is the use of machine learning approaches such as autoencoders for dimensionality reduction of data and models in scientific applications. We show that the canonical formulation of autoencoders suffers…
Deep neural network autoencoders are routinely used computationally for model reduction. They allow recognizing the intrinsic dimension of data that lie in a $k$-dimensional subset $K$ of an input Euclidean space $\mathbb{R}^n$. The…
Autoencoders have seen wide success in domains ranging from feature selection to information retrieval. Despite this success, designing an autoencoder for a given task remains a challenging undertaking due to the lack of firm intuition on…
We introduce a novel self-supervised learning framework that automatically learns representations from input computer-aided design (CAD) models for downstream tasks, including part classification, modeling segmentation, and machining…
An autoencoder is a neural network which data projects to and from a lower dimensional latent space, where this data is easier to understand and model. The autoencoder consists of two sub-networks, the encoder and the decoder, which carry…
Due to its geometric properties, hyperbolic space can support high-fidelity embeddings of tree- and graph-structured data, upon which various hyperbolic networks have been developed. Existing hyperbolic networks encode geometric priors not…
In many machine learning tasks, learning a good representation of the data can be the key to building a well-performant solution. This is because most learning algorithms operate with the features in order to find models for the data. For…
Classical autoencoders are neural networks that can learn efficient low dimensional representations of data in higher dimensional space. The task of an autoencoder is, given an input $x$, is to map $x$ to a lower dimensional point $y$ such…
In this paper we introduce the deep kernelized autoencoder, a neural network model that allows an explicit approximation of (i) the mapping from an input space to an arbitrary, user-specified kernel space and (ii) the back-projection from…
This paper presents an autoencoder-based neural network architecture to compress histopathological images while retaining the denser and more meaningful representation of the original images. Current research into improving compression…