相关论文: VAE for Modified 1-Hot Generative Materials Modeli…

A major challenge in materials design is how to efficiently search the vast chemical design space to find the materials with desired properties. One effective strategy is to develop sampling algorithms that can exploit both explicit…

Variational Autoencoders (VAEs) are powerful generative models capable of learning compact latent representations. However, conventional VAEs often generate relatively blurry images due to their assumption of an isotropic Gaussian latent…

In this paper we explore the effect of architectural choices on learning a Variational Autoencoder (VAE) for text generation. In contrast to the previously introduced VAE model for text where both the encoder and decoder are RNNs, we…

Inverse design, which seeks to find optimal parameters for a target output, is a central challenge in engineering. Surrogate-based optimization (SBO) has become a standard approach, yet it is fundamentally structured to converge to a…

We present a framework for fine-tuning flow-matching generative models to enforce physical constraints and solve inverse problems in scientific systems. Starting from a model trained on low-fidelity or observational data, we apply a…

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,…

Harnessing the rich nonlinear dynamics of highly-deformable materials has the potential to unlock the next generation of functional smart materials and devices. However, unlocking such potential requires effective strategies to spatially…

The usage of deep generative models for image compression has led to impressive performance gains over classical codecs while neural video compression is still in its infancy. Here, we propose an end-to-end, deep generative modeling…

Selective manipulation of data attributes using deep generative models is an active area of research. In this paper, we present a novel method to structure the latent space of a Variational Auto-Encoder (VAE) to encode different…

Computer-driven molecular design combines the principles of chemistry, physics, and artificial intelligence to identify novel chemical compounds and materials with desired properties for a specific application. In particular,…

We propose a novel approach to model viscoelasticity materials using neural networks, which capture rate-dependent and nonlinear constitutive relations. However, inputs and outputs of the neural networks are not directly observable, and…

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Finding new superconductors with a high critical temperature ($T_c$) has been a challenging task due to computational and experimental costs. We present a diffusion model inspired by the computer vision community to generate new…

We present a conditional variational auto-encoder (VAE) which, to avoid the substantial cost of training from scratch, uses an architecture and training objective capable of leveraging a foundation model in the form of a pretrained…

Large climate-model ensembles are computationally expensive; yet many downstream analyses would benefit from additional, statistically consistent realizations of spatiotemporal climate variables. We study a generative modeling approach for…

The design of metamaterials which support unique optical responses is the basis for most thin-film nanophotonics applications. In practice this inverse design problem can be difficult to solve systematically due to the large design…

Generative AI models for music and the arts in general are increasingly complex and hard to understand. The field of eXplainable AI (XAI) seeks to make complex and opaque AI models such as neural networks more understandable to people. One…

Recent image generation models show remarkable generation performance. However, they mirror strong location preference in datasets, which we call spatial bias. Therefore, generators render poor samples at unseen locations and scales. We…

Variational autoencdoers (VAE) are a popular approach to generative modelling. However, exploiting the capabilities of VAEs in practice can be difficult. Recent work on regularised and entropic autoencoders have begun to explore the…

We develop a framework for incorporating structured graphical models in the \emph{encoders} of variational autoencoders (VAEs) that allows us to induce interpretable representations through approximate variational inference. This allows us…