Wasserstein distance

We give an improved theoretical analysis of score-based generative modeling. Under a score estimate with small L^2 error (averaged across timesteps), we provide efficient convergence guarantees for any data distribution with second-order moment, by either employing early stopping or assuming a smoothness condition on the score function of the data distribution. Our result does not rely on any log-concavity or functional inequality assumption and has a logarithmic dependence on the smoothness. In particular, we show that under only a finite second moment condition, approximating the following in reverse KL divergence in ε-accuracy can be done in Õ(d log(1/δ)/ε) steps: 1) the variance-δ Gaussian perturbation of any data distribution; 2) data distributions with 1/δ-smooth score functions. Our analysis also provides a quantitative comparison between different discrete approximations and may guide the choice of discretization points in practice.

Simulation-free methods for training continuous-time generative models construct probability paths that go between noise distributions and individual data samples. Recent works, such as Flow Matching, derived paths that are optimal for each data sample. However, these algorithms rely on independent data and noise samples, and do not exploit underlying structure in the data distribution for constructing probability paths. We propose Multisample Flow Matching, a more general framework that uses non-trivial couplings between data and noise samples while satisfying the correct marginal constraints. At very small overhead costs, this generalization allows us to (i) reduce gradient variance during training, (ii) obtain straighter flows for the learned vector field, which allows us to generate high-quality samples using fewer function evaluations, and (iii) obtain transport maps with lower cost in high dimensions, which has applications beyond generative modeling. Importantly, we do so in a completely simulation-free manner with a simple minimization objective. We show that our proposed methods improve sample consistency on downsampled ImageNet data sets, and lead to better low-cost sample generation.

Graph generative models are a highly active branch of machine learning. Given the steady development of new models of ever-increasing complexity, it is necessary to provide a principled way to evaluate and compare them. In this paper, we enumerate the desirable criteria for such a comparison metric and provide an overview of the status quo of graph generative model comparison in use today, which predominantly relies on the maximum mean discrepancy (MMD). We perform a systematic evaluation of MMD in the context of graph generative model comparison, highlighting some of the challenges and pitfalls researchers inadvertently may encounter. After conducting a thorough analysis of the behaviour of MMD on synthetically-generated perturbed graphs as well as on recently-proposed graph generative models, we are able to provide a suitable procedure to mitigate these challenges and pitfalls. We aggregate our findings into a list of practical recommendations for researchers to use when evaluating graph generative models.

While efficient distribution learning is no doubt behind the groundbreaking success of diffusion modeling, its theoretical guarantees are quite limited. In this paper, we provide the first rigorous analysis on approximation and generalization abilities of diffusion modeling for well-known function spaces. The highlight of this paper is that when the true density function belongs to the Besov space and the empirical score matching loss is properly minimized, the generated data distribution achieves the nearly minimax optimal estimation rates in the total variation distance and in the Wasserstein distance of order one. Furthermore, we extend our theory to demonstrate how diffusion models adapt to low-dimensional data distributions. We expect these results advance theoretical understandings of diffusion modeling and its ability to generate verisimilar outputs.

Domain adaptation from one data space (or domain) to another is one of the most challenging tasks of modern data analytics. If the adaptation is done correctly, models built on a specific data space become more robust when confronted to data depicting the same semantic concepts (the classes), but observed by another observation system with its own specificities. Among the many strategies proposed to adapt a domain to another, finding a common representation has shown excellent properties: by finding a common representation for both domains, a single classifier can be effective in both and use labelled samples from the source domain to predict the unlabelled samples of the target domain. In this paper, we propose a regularized unsupervised optimal transportation model to perform the alignment of the representations in the source and target domains. We learn a transportation plan matching both PDFs, which constrains labelled samples in the source domain to remain close during transport. This way, we exploit at the same time the few labeled information in the source and the unlabelled distributions observed in both domains. Experiments in toy and challenging real visual adaptation examples show the interest of the method, that consistently outperforms state of the art approaches.

In this paper, we introduce a new CT image denoising method based on the generative adversarial network (GAN) with Wasserstein distance and perceptual similarity. The Wasserstein distance is a key concept of the optimal transform theory, and promises to improve the performance of the GAN. The perceptual loss compares the perceptual features of a denoised output against those of the ground truth in an established feature space, while the GAN helps migrate the data noise distribution from strong to weak. Therefore, our proposed method transfers our knowledge of visual perception to the image denoising task, is capable of not only reducing the image noise level but also keeping the critical information at the same time. Promising results have been obtained in our experiments with clinical CT images.

We investigate the training and performance of generative adversarial networks using the Maximum Mean Discrepancy (MMD) as critic, termed MMD GANs. As our main theoretical contribution, we clarify the situation with bias in GAN loss functions raised by recent work: we show that gradient estimators used in the optimization process for both MMD GANs and Wasserstein GANs are unbiased, but learning a discriminator based on samples leads to biased gradients for the generator parameters. We also discuss the issue of kernel choice for the MMD critic, and characterize the kernel corresponding to the energy distance used for the Cramer GAN critic. Being an integral probability metric, the MMD benefits from training strategies recently developed for Wasserstein GANs. In experiments, the MMD GAN is able to employ a smaller critic network than the Wasserstein GAN, resulting in a simpler and faster-training algorithm with matching performance. We also propose an improved measure of GAN convergence, the Kernel Inception Distance, and show how to use it to dynamically adapt learning rates during GAN training.

We introduce a new algorithm named WGAN, an alternative to traditional GAN training. In this new model, we show that we can improve the stability of learning, get rid of problems like mode collapse, and provide meaningful learning curves useful for debugging and hyperparameter searches. Furthermore, we show that the corresponding optimization problem is sound, and provide extensive theoretical work highlighting the deep connections to different distances between distributions.