相关论文: CHA2: CHemistry Aware Convex Hull Autoencoder Towa…

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…

Compact and accurate representations of 3D shapes are central to many perception and robotics tasks. State-of-the-art learning-based methods can reconstruct single objects but scale poorly to large datasets. We present a novel recursive…

The ultimate aim of the study is to explore the inverse design of porous metamaterials using a deep learning-based generative framework. Specifically, we develop a property-variational autoencoder (pVAE), a variational autoencoder (VAE)…

Neural audio codecs, neural networks which compress a waveform into discrete tokens, play a crucial role in the recent development of audio generative models. State-of-the-art codecs rely on the end-to-end training of an autoencoder and a…

Compressed sensing techniques enable efficient acquisition and recovery of sparse, high-dimensional data signals via low-dimensional projections. In this work, we propose Uncertainty Autoencoders, a learning framework for unsupervised…

We demonstrate a machine learning approach designed to extract hidden chemistry/physics to facilitate new materials discovery. In particular, we propose a novel method for learning latent knowledge from material structure data in which…

Automatic Chemical Design is a framework for generating novel molecules with optimized properties. The original scheme, featuring Bayesian optimization over the latent space of a variational autoencoder, suffers from the pathology that it…

Autoencoders learn data representations (codes) in such a way that the input is reproduced at the output of the network. However, it is not always clear what kind of properties of the input data need to be captured by the codes. Kernel…

Machine learning has the potential to automate molecular design and drastically accelerate the discovery of new functional compounds. Towards this goal, generative models and reinforcement learning (RL) using string and graph…

Unsupervised learning-based anomaly detection in latent space has gained importance since discriminating anomalies from normal data becomes difficult in high-dimensional space. Both density estimation and distance-based methods to detect…

Learning latent representations of registered meshes is useful for many 3D tasks. Techniques have recently shifted to neural mesh autoencoders. Although they demonstrate higher precision than traditional methods, they remain unable to…

Variational autoencoders (VAEs) are essential tools in end-to-end representation learning. However, the sequential text generation common pitfall with VAEs is that the model tends to ignore latent variables with a strong auto-regressive…

A convolutional autoencoder is trained using a database of airfoil aerodynamic simulations and assessed in terms of overall accuracy and interpretability. The goal is to predict the stall and to investigate the ability of the autoencoder to…

Autoencoding is a popular method in representation learning. Conventional autoencoders employ symmetric encoding-decoding procedures and a simple Euclidean latent space to detect hidden low-dimensional structures in an unsupervised way.…

Recent research in the design of end to end communication system using deep learning has produced models which can outperform traditional communication schemes. Most of these architectures leveraged autoencoders to design the encoder at the…

This paper introduces a novel hierarchical autoencoder that maps 3D models into a highly compressed latent space. The hierarchical autoencoder is specifically designed to tackle the challenges arising from large-scale datasets and…

We propose and demonstrate a generative deep learning approach for the shape recognition of an arbitrary object from its acoustic scattering properties. The strategy exploits deep neural networks to learn the mapping between the latent…

We present a variational autoencoder framework for learning and generating configurations of structured polymer globules from distance matrices. We used coarse-grained molecular dynamics to sample polyethylene structures, which we used as…

In this work, we propose a novel convolutional autoencoder based architecture to generate subspace specific feature representations that are best suited for classification task. The class-specific data is assumed to lie in low dimensional…

Ultrafast diffraction imaging is a powerful tool to retrieve the geometric structure of gas-phase molecules with combined picometre spatial and attosecond temporal resolution. However, structural retrieval becomes progressively difficult…