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

Deep generative models are stochastic neural networks capable of learning the distribution of data so as to generate new samples. Conditional Variational Autoencoder (CVAE) is a powerful deep generative model aiming at maximizing the lower…

Inverse materials design has proven successful in accelerating novel material discovery. Many inverse materials design methods use unsupervised learning where a latent space is learned to offer a compact description of materials…

We deal with the problem of learning the underlying disentangled latent factors that are shared between the paired bi-modal data in cross-modal retrieval. Our assumption is that the data in both modalities are complex, structured, and high…

An implicit goal in works on deep generative models is that such models should be able to generate novel examples that were not previously seen in the training data. In this paper, we investigate to what extent this property holds for…

We develop the sparse VAE for unsupervised representation learning on high-dimensional data. The sparse VAE learns a set of latent factors (representations) which summarize the associations in the observed data features. The underlying…

Metamaterials are artificially engineered structures that manipulate electromagnetic waves, having optical properties absent in natural materials. Recently, machine learning for the inverse design of metamaterials has drawn attention.…

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of…

The decoder-based machine learning generative algorithms such as Generative Adversarial Networks (GAN), Variational Auto-Encoders (VAE), Transformers show impressive results when constructing objects similar to those in a training ensemble.…

Conditional Generative Models are now acknowledged an essential tool in Machine Learning. This paper focuses on their control. While many approaches aim at disentangling the data through the coordinate-wise control of their latent…

We propose a flipped-Adversarial AutoEncoder (FAAE) that simultaneously trains a generative model G that maps an arbitrary latent code distribution to a data distribution and an encoder E that embodies an "inverse mapping" that encodes a…

We propose to learn model invariances as a means of interpreting a model. This is motivated by a reverse engineering principle. If we understand a problem, we may introduce inductive biases in our model in the form of invariances.…

By composing graphical models with deep learning architectures, we learn generative models with the strengths of both frameworks. The structured variational autoencoder (SVAE) inherits structure and interpretability from graphical models,…

Generative adversarial networks (GANs) are a powerful framework for generative tasks. However, they are difficult to train and tend to miss modes of the true data generation process. Although GANs can learn a rich representation of the…

Functional soft materials, comprising colloidal and molecular building blocks that self-organize into complex structures as a result of their tunable interactions, enable a wide array of technological applications. Inverse methods provide…

Recent advances in generative AI offer promising solutions for synthetic data generation but often rely on large datasets for effective training. To address this limitation, we propose a novel generative model that learns from limited data…

Deep generative models are increasingly becoming integral parts of the in silico molecule design pipeline and have dual goals of learning the chemical and structural features that render candidate molecules viable while also being flexible…

Variational Autoencoders are one of the most commonly used generative models, particularly for image data. A prominent difficulty in training VAEs is data that is supported on a lower-dimensional manifold. Recent work by Dai and Wipf (2020)…

Understanding how nano- or micro-scale structures and material properties can be optimally configured to attain specific functionalities remains a fundamental challenge. Photonic metasurfaces, for instance, can be spectrally tuned through…

The design/discovery of new materials is highly non-trivial owing to the near-infinite possibilities of material candidates, and multiple required property/performance objectives. Thus, machine learning tools are now commonly employed to…

In this study, an image-assisted Approximate Bayesian Computation (ABC) parameter inverse method is proposed to identify the design parameters. In the proposed method, the images are mapped to a low-dimensional latent space by Variational…