相关论文: Generating valid Euclidean distance matrices

Distances are pervasive in machine learning. They serve as similarity measures, loss functions, and learning targets; it is said that a good distance measure solves a task. When defining distances, the triangle inequality has proven to be a…

We present a 3D capsule module for processing point clouds that is equivariant to 3D rotations and translations, as well as invariant to permutations of the input points. The operator receives a sparse set of local reference frames,…

This paper explains the math behind a generative adversarial network (GAN) model and why it is hard to be trained. Wasserstein GAN is intended to improve GANs' training by adopting a smooth metric for measuring the distance between two…

Using a large-scale, experimentally captured 3D microstructure dataset, we implement the generative adversarial network (GAN) framework to learn and generate 3D microstructures of solid oxide fuel cell electrodes. The generated…

Utilizing 3D point cloud data has become an urgent need for the deployment of artificial intelligence in many areas like facial recognition and self-driving. However, deep learning for 3D point clouds is still vulnerable to adversarial…

Generative Adversarial Networks (GANs) are one of the most practical methods for learning data distributions. A popular GAN formulation is based on the use of Wasserstein distance as a metric between probability distributions.…

We introduce a new framework for molecular graph generation with 3D molecular generative models. Our Synthetic Coordinate Embedding (SyCo) framework maps molecular graphs to Euclidean point clouds via synthetic conformer coordinates and…

Generative Adversarial Networks have surprising ability for generating sharp and realistic images, though they are known to suffer from the so-called mode collapse problem. In this paper, we propose a new GAN variant called Mixture Density…

Generative Adversarial Networks (GANs) are powerful generative models, but suffer from training instability. The recently proposed Wasserstein GAN (WGAN) makes progress toward stable training of GANs, but sometimes can still generate only…

We propose NetGAN - the first implicit generative model for graphs able to mimic real-world networks. We pose the problem of graph generation as learning the distribution of biased random walks over the input graph. The proposed model is…

We present a framework for embedding graph structured data into a vector space, taking into account node features and topology of a graph into the optimal transport (OT) problem. Then we propose a novel distance between two graphs, named…

In the recent years Generative Adversarial Networks (GANs) have demonstrated significant progress in generating authentic looking data. In this work we introduce our simple method to exploit the advancements in well established image-based…

Our main motivation is to propose an efficient approach to generate novel multi-element stable chemical compounds that can be used in real world applications. This task can be formulated as a combinatorial problem, and it takes many hours…

Generative adversarial networks (GANs) have proven effective in modeling distributions of high-dimensional data. However, their training instability is a well-known hindrance to convergence, which results in practical challenges in their…

This paper proposes two algorithms for estimating square Wasserstein distance matrices from a small number of entries. These matrices are used to compute manifold learning embeddings like multidimensional scaling (MDS) or Isomap, but…

We proposed a new criterion \textit{noise-stability}, which revised the classical rigidity theory, for evaluation of MDS algorithms which can truthfully represent the fidelity of global structure reconstruction; then we proved the…

We define a metric---the network Gromov-Wasserstein distance---on weighted, directed networks that is sensitive to the presence of outliers. In addition to proving its theoretical properties, we supply network invariants based on optimal…

The study of multidimensional discriminator (critic) output for Generative Adversarial Networks has been underexplored in the literature. In this paper, we generalize the Wasserstein GAN framework to take advantage of multidimensional…

The quest for efficient and robust deep learning models for molecular systems representation is increasingly critical in scientific exploration. The advent of message passing neural networks has marked a transformative era in graph-based…

Generative Adversarial Networks (GANs), as a framework for estimating generative models via an adversarial process, have attracted huge attention and have proven to be powerful in a variety of tasks. However, training GANs is well known for…