Related papers: Generative Modeling of Entangled Polymers with a D…
We study how to generate molecule conformations (i.e., 3D structures) from a molecular graph. Traditional methods, such as molecular dynamics, sample conformations via computationally expensive simulations. Recently, machine learning…
Variational Autoencoders (VAEs) have been shown to be remarkably effective in recovering model latent spaces for several computer vision tasks. However, currently trained VAEs, for a number of reasons, seem to fall short in learning…
We investigate a variant of variational autoencoders where there is a superstructure of discrete latent variables on top of the latent features. In general, our superstructure is a tree structure of multiple super latent variables and it is…
In recent years, machine learning models, chiefly deep neural networks, have revealed suited to learn accurate energy-density functionals from data. However, problematic instabilities have been shown to occur in the search of ground-state…
The generation of discontinuous distributions is a difficult task for most known frameworks such as generative autoencoders and generative adversarial networks. Generative non-invertible models are unable to accurately generate such…
We develop a novel probabilistic generative model based on the variational autoencoder approach. Notable aspects of our architecture are: a novel way of specifying the latent variables prior, and the introduction of an ordinality enforcing…
A disentangled representation of a data set should be capable of recovering the underlying factors that generated it. One question that arises is whether using Euclidean space for latent variable models can produce a disentangled…
Variational auto-encoders (VAEs) are a popular and powerful deep generative model. Previous works on VAEs have assumed a factorized likelihood model, whereby the output uncertainty of each pixel is assumed to be independent. This…
We propose a manifold matching approach to generative models which includes a distribution generator (or data generator) and a metric generator. In our framework, we view the real data set as some manifold embedded in a high-dimensional…
We propose an auto-encoder architecture for multi-texture synthesis. The approach relies on both a compact encoder accounting for second order neural statistics and a generator incorporating adaptive periodic content. Images are embedded in…
Disentangled representation learning finds compact, independent and easy-to-interpret factors of the data. Learning such has been shown to require an inductive bias, which we explicitly encode in a generative model of images. Specifically,…
The framework of variational autoencoders allows us to efficiently learn deep latent-variable models, such that the model's marginal distribution over observed variables fits the data. Often, we're interested in going a step further, and…
We study the problem of self-supervised structured representation learning using autoencoders for downstream tasks such as generative modeling. Unlike most methods which rely on matching an arbitrary, relatively unstructured, prior…
In the development of locally resonant metamaterials, the physical resonator design is often omitted and replaced by an idealized mass-spring system. This paper presents a novel approach for designing multimodal resonant structures, which…
Inverse problems and inverse design in multiphase media, i.e., recovering or engineering microstructures to achieve target macroscopic responses, require operating on discrete-valued material fields, rendering the problem non-differentiable…
Optimizing molecular design and discovering novel chemical structures to meet certain objectives, such as quantitative estimates of the drug-likeness score (QEDs), is NP-hard due to the vast combinatorial design space of discrete molecular…
Large language models (LLMs) encode a diverse range of linguistic features within their latent representations, which can be harnessed to steer their output toward specific target characteristics. In this paper, we modify the internal…
We introduce a convolutional neural network for inferring a compact disentangled graphical description of objects from 2D images that can be used for volumetric reconstruction. The network comprises an encoder and a twin-tailed decoder. The…
Entangled networks of stiff biopolymers exhibit complex dynamic response, emerging from the topological constraints that neighboring filaments impose upon each other. We propose a class of reference models for entanglement dynamics of stiff…
In this paper, we explore the use of a variational autoencoder (VAE), a deep generative model, to compress and generate images of dark matter density fields from $\Lambda$CDM like cosmological simulations. The VAE learns a compact,…