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Register a new userA Variational Perspective on Diffusion-Based Generative Models and Score Matching
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Added by
Chin-Wei Huang
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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Discrete-time diffusion-based generative models and score matching methods have shown promising results in modeling high-dimensional image data. Recently, Song et al. (2021) show that diffusion processes that transform data into noise can be reversed via learning the score function, i.e. the gradient of the log-density of the perturbed data. They propose to plug the learned score function into an inverse formula to define a generative diffusion process. Despite the empirical success, a theoretical underpinning of this procedure is still lacking. In this work, we approach the (continuous-time) generative diffusion directly and derive a variational framework for likelihood estimation, which includes continuous-time normalizing flows as a special case, and can be seen as an infinitely deep variational autoencoder. Under this framework, we show that minimizing the score-matching loss is equivalent to maximizing a lower bound of the likelihood of the plug-in reverse SDE proposed by Song et al. (2021), bridging the theoretical gap.
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While adversarial training is considered as a standard defense method against adversarial attacks for image classifiers, adversarial purification, which purifies attacked images into clean images with a standalone purification model, has shown promises as an alternative defense method. Recently, an Energy-Based Model (EBM) trained with Markov-Chain Monte-Carlo (MCMC) has been highlighted as a purification model, where an attacked image is purified by running a long Markov-chain using the gradients of the EBM. Yet, the practicality of the adversarial purification using an EBM remains questionable because the number of MCMC steps required for such purification is too large. In this paper, we propose a novel adversarial purification method based on an EBM trained with Denoising Score-Matching (DSM). We show that an EBM trained with DSM can quickly purify attacked images within a few steps. We further introduce a simple yet effective randomized purification scheme that injects random noises into images before purification. This process screens the adversarial perturbations imposed on images by the random noises and brings the images to the regime where the EBM can denoise well. We show that our purification method is robust against various attacks and demonstrate its state-of-the-art performances.
Several machine learning applications involve the optimization of higher-order derivatives (e.g., gradients of gradients) during training, which can be expensive in respect to memory and computation even with automatic differentiation. As a typical example in generative modeling, score matching (SM) involves the optimization of the trace of a Hessian. To improve computing efficiency, we rewrite the SM objective and its variants in terms of directional derivatives, and present a generic strategy to efficiently approximate any-order directional derivative with finite difference (FD). Our approximation only involves function evaluations, which can be executed in parallel, and no gradient computations. Thus, it reduces the total computational cost while also improving numerical stability. We provide two instantiations by reformulating variants of SM objectives into the FD forms. Empirically, we demonstrate that our methods produce results comparable to the gradient-based counterparts while being much more computationally efficient.
Diffusion-based generative models have demonstrated a capacity for perceptually impressive synthesis, but can they also be great likelihood-based models? We answer this in the affirmative, and introduce a family of diffusion-based generative models that obtain state-of-the-art likelihoods on standard image density estimation benchmarks. Unlike other diffusion-based models, our method allows for efficient optimization of the noise schedule jointly with the rest of the model. We show that the variational lower bound (VLB) simplifies to a remarkably short expression in terms of the signal-to-noise ratio of the diffused data, thereby improving our theoretical understanding of this model class. Using this insight, we prove an equivalence between several models proposed in the literature. In addition, we show that the continuous-time VLB is invariant to the noise schedule, except for the signal-to-noise ratio at its endpoints. This enables us to learn a noise schedule that minimizes the variance of the resulting VLB estimator, leading to faster optimization. Combining these advances with architectural improvements, we obtain state-of-the-art likelihoods on image density estimation benchmarks, outperforming autoregressive models that have dominated these benchmarks for many years, with often significantly faster optimization. In addition, we show how to turn the model into a bits-back compression scheme, and demonstrate lossless compression rates close to the theoretical optimum.
The imputation of missing values in time series has many applications in healthcare and finance. While autoregressive models are natural candidates for time series imputation, score-based diffusion models have recently outperformed existing counterparts including autoregressive models in many tasks such as image generation and audio synthesis, and would be promising for time series imputation. In this paper, we propose Conditional Score-based Diffusion models for Imputation (CSDI), a novel time series imputation method that utilizes score-based diffusion models conditioned on observed data. Unlike existing score-based approaches, the conditional diffusion model is explicitly trained for imputation and can exploit correlations between observed values. On healthcare and environmental data, CSDI improves by 40-70% over existing probabilistic imputation methods on popular performance metrics. In addition, deterministic imputation by CSDI reduces the error by 5-20% compared to the state-of-the-art deterministic imputation methods. Furthermore, CSDI can also be applied to time series interpolation and probabilistic forecasting, and is competitive with existing baselines.
Score matching is a popular method for estimating unnormalized statistical models. However, it has been so far limited to simple, shallow models or low-dimensional data, due to the difficulty of computing the Hessian of log-density functions. We show this difficulty can be mitigated by projecting the scores onto random vectors before comparing them. This objective, called sliced score matching, only involves Hessian-vector products, which can be easily implemented using reverse-mode automatic differentiation. Therefore, sliced score matching is amenable to more complex models and higher dimensional data compared to score matching. Theoretically, we prove the consistency and asymptotic normality of sliced score matching estimators. Moreover, we demonstrate that sliced score matching can be used to learn deep score estimators for implicit distributions. In our experiments, we show sliced score matching can learn deep energy-based models effectively, and can produce accurate score estimates for applications such as variational inference with implicit distributions and training Wasserstein Auto-Encoders.
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