Diversity is an important criterion for many areas of machine learning (ML), including generative modeling and dataset curation. However, existing metrics for measuring diversity are often domain-specific and limited in flexibility. In this paper we address the diversity evaluation problem by proposing the Vendi Score, which connects and extends ideas from ecology and quantum statistical mechanics to ml. The Vendi Score is defined as the exponential of the Shannon entropy of the eigenvalues of a similarity matrix. This matrix is induced by a user-defined similarity function applied to the sample to be evaluated for diversity. In taking a similarity function as input, the Vendi Score enables its user to specify any desired form of diversity. Importantly, unlike many existing metrics in ML, the Vendi Score does not require a reference dataset or distribution over samples or labels, it is therefore general and applicable to any generative model, decoding algorithm, and dataset from any domain where similarity can be defined. We showcase the Vendi Score on molecular generative modeling where we found it addresses shortcomings of the current diversity metric of choice in that domain. We also applied the Vendi Score to generative models of images and decoding algorithms of text where we found it confirms known results about diversity in those domains. Furthermore, we used the Vendi Score to measure mode collapse, a known shortcoming of generative adversarial networks (GANs). In particular, the Vendi Score revealed that even GANs that capture all the modes of a labelled dataset can be less diverse than the original dataset. Finally, the interpretability of the Vendi Score allowed us to diagnose several benchmark ML datasets for diversity, opening the door for diversity-informed data augmentation.
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An empirical study on evaluation metrics of generative adversarial networks
Evaluating generative adversarial networks (GANs) is inherently challenging. In this paper, we revisit several representative sample-based evaluation metrics for GANs, and address the problem of how to evaluate the evaluation metrics. We start with a few necessary conditions for metrics to produce meaningful scores, such as distinguishing real from generated samples, identifying mode dropping and mode collapsing, and detecting overfitting. With a series of carefully designed experiments, we comprehensively investigate existing sample-based metrics and identify their strengths and limitations in practical settings. Based on these results, we observe that kernel Maximum Mean Discrepancy (MMD) and the 1-Nearest- Neighbor (1-NN) two-sample test seem to satisfy most of the desirable properties, provided that the distances between samples are computed in a suitable feature space. Our experiments also unveil interesting properties about the behavior of several popular GAN models, such as whether they are memorizing training samples, and how far they are from learning the target distribution.
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- Award ID(s):
- 1525919
- NSF-PAR ID:
- 10064659
- Date Published:
- Journal Name:
- arXiv.org
- ISSN:
- 2331-8422
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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This paper addresses the mode collapse for generative adversarial networks (GANs). We view modes as a geometric structure of data distribution in a metric space. Under this geometric lens, we embed subsamples of the dataset from an arbitrary metric space into the L2 space, while preserving their pairwise distance distribution. Not only does this metric embedding determine the dimensionality of the latent space automatically, it also enables us to construct a mixture of Gaussians to draw latent space random vectors. We use the Gaussian mixture model in tandem with a simple augmentation of the objective function to train GANs. Every major step of our method is supported by theoretical analysis, and our experiments on real and synthetic data confirm that the generator is able to produce samples spreading over most of the modes while avoiding unwanted samples, outperforming several recent GAN variants on a number of metrics and offering new features.more » « less
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Generative adversarial networks (GANs) are innovative techniques for learning generative models of complex data distributions from samples. Despite remarkable recent improvements in generating realistic images, one of their major shortcomings is the fact that in practice, they tend to produce samples with little diversity, even when trained on diverse datasets. This phenomenon, known as mode collapse, has been the main focus of several recent advances in GANs. Yet there is little understanding of why mode collapse happens and why recently proposed approaches are able to mitigate mode collapse. We propose a principled approach to handling mode collapse, which we call packing. The main idea is to modify the discriminator to make decisions based on multiple samples from the same class, either real or artificially generated. We borrow analysis tools from binary hypothesis testing—in particular the seminal result of Blackwell [6]—to prove a fundamental connection between packing and mode collapse. We show that packing naturally penalizes generators with mode collapse, thereby favoring generator distributions with less mode collapse during the training process. Numerical experiments on benchmark datasets suggests that packing provides significant improvements in practice as well.more » « less
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Abstract Generative adversarial networks (GANs) have been impactful on many problems and applications but suffer from unstable training. The Wasserstein GAN (WGAN) leverages the Wasserstein distance to avoid the caveats in the minmax two-player training of GANs but has other defects such as mode collapse and lack of metric to detect the convergence. We introduce a novel inferential Wasserstein GAN (iWGAN) model, which is a principled framework to fuse autoencoders and WGANs. The iWGAN model jointly learns an encoder network and a generator network motivated by the iterative primal-dual optimization process. The encoder network maps the observed samples to the latent space and the generator network maps the samples from the latent space to the data space. We establish the generalization error bound of the iWGAN to theoretically justify its performance. We further provide a rigorous probabilistic interpretation of our model under the framework of maximum likelihood estimation. The iWGAN, with a clear stopping criteria, has many advantages over other autoencoder GANs. The empirical experiments show that the iWGAN greatly mitigates the symptom of mode collapse, speeds up the convergence, and is able to provide a measurement of quality check for each individual sample. We illustrate the ability of the iWGAN by obtaining competitive and stable performances for benchmark datasets.
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