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In this work, we introduce a novel deep learning architecture, Variable Length Embeddings (VLEs), an autoregressive model that can produce a latent representation composed of an arbitrary number of tokens. As a proof of concept, we…

Deep generative models have emerged as influential instruments for data generation and manipulation. Enhancing the controllability of these models by selectively modifying data attributes has been a recent focus. Variational Autoencoders…

In recent years, deep generative models have been successfully adopted for various molecular design tasks, particularly in the life and material sciences. A critical challenge for pre-trained generative molecular design (GMD) models is to…

In this paper, we describe the "implicit autoencoder" (IAE), a generative autoencoder in which both the generative path and the recognition path are parametrized by implicit distributions. We use two generative adversarial networks to…

Variational autoencoders (VAEs) and other generative methods have garnered growing interest not just for their generative properties but also for the ability to dis-entangle a low-dimensional latent variable space. However, few existing…

In computational design and fabrication, neural networks are becoming important surrogates for bulky forward simulations. A long-standing, intertwined question is that of inverse design: how to compute a design that satisfies a desired…

Generative models have emerged as powerful tools in medical imaging, enabling tasks such as segmentation, anomaly detection, and high-quality synthetic data generation. These models typically rely on learning meaningful latent…

Generative Adversarial Networks (GANs) play an increasingly important role in machine learning. However, there is one fundamental issue hindering their practical applications: the absence of capability for encoding real-world samples. The…

Generative models based on generative adversarial networks (GANs) and variational autoencoders (VAEs) have been widely studied in the fields of image generation, speech generation, and drug discovery, but, only a few studies have focused on…

Image generative models can learn the distributions of the training data and consequently generate examples by sampling from these distributions. However, when the training dataset is corrupted with outliers, generative models will likely…

Inverse protein folding -- the task of predicting a protein sequence from its backbone atom coordinates -- has surfaced as an important problem in the "top down", de novo design of proteins. Contemporary approaches have cast this problem as…

Latent variable models such as the Variational Auto-Encoder (VAE) have become a go-to tool for analyzing biological data, especially in the field of single-cell genomics. One remaining challenge is the interpretability of latent variables…

Many deep generative models are defined as a push-forward of a Gaussian measure by a continuous generator, such as Generative Adversarial Networks (GANs) or Variational Auto-Encoders (VAEs). This work explores the latent space of such deep…

As a widely recognized approach to deep generative modeling, Variational Auto-Encoders (VAEs) still face challenges with the quality of generated images, often presenting noticeable blurriness. This issue stems from the unrealistic…

Variational autoencoders (VAEs) have been used extensively to discover low-dimensional latent factors governing neural activity and animal behavior. However, without careful model selection, the uncovered latent factors may reflect noise in…

Inverse microstructure design plays a central role in materials discovery, yet remains challenging due to the complexity of structure-property linkages and the scarcity of labeled training data. We propose Design-GenNO, a physics-informed…

We propose a cross-domain latent modulation mechanism within a variational autoencoders (VAE) framework to enable improved transfer learning. Our key idea is to procure deep representations from one data domain and use it as perturbation to…

Inverse problems are fundamental to many scientific and engineering disciplines; they arise when one seeks to reconstruct hidden, underlying quantities from noisy measurements. Many applications demand not just point estimates but…

Vitrimer is a new, exciting class of sustainable polymers with the ability to heal due to their dynamic covalent adaptive network that can go through associative rearrangement reactions. However, a limited choice of constituent molecules…

The capability to generate simulation-ready garment models from 3D shapes of clothed humans will significantly enhance the interpretability of captured geometry of real garments, as well as their faithful reproduction in the virtual world.…