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Register a new userSliced Score Matching: A Scalable Approach to Density and Score Estimation
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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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Autoregressive models use chain rule to define a joint probability distribution as a product of conditionals. These conditionals need to be normalized, imposing constraints on the functional families that can be used. To increase flexibility, we propose autoregressive conditional score models (AR-CSM) where we parameterize the joint distribution in terms of the derivatives of univariate log-conditionals (scores), which need not be normalized. To train AR-CSM, we introduce a new divergence between distributions named Composite Score Matching (CSM). For AR-CSM models, this divergence between data and model distributions can be computed and optimized efficiently, requiring no expensive sampling or adversarial training. Compared to previous score matching algorithms, our method is more scalable to high dimensional data and more stable to optimize. We show with extensive experimental results that it can be applied to density estimation on synthetic data, image generation, image denoising, and training latent variable models with implicit encoders.
Recent advance in diffusion models incorporates the Stochastic Differential Equation (SDE), which brings the state-of-the art performance on image generation tasks. This paper improves such diffusion models by analyzing the model at the zero diffusion time. In real datasets, the score function diverges as the diffusion time ($t$) decreases to zero, and this observation leads an argument that the score estimation fails at $t=0$ with any neural network structure. Subsequently, we introduce Unbounded Diffusion Model (UDM) that resolves the score diverging problem with an easily applicable modification to any diffusion models. Additionally, we introduce a new SDE that overcomes the theoretic and practical limitations of Variance Exploding SDE. On top of that, the introduced Soft Truncation method improves the sample quality by mitigating the loss scale issue that happens at $t=0$. We further provide a theoretic result of the proposed method to uncover the behind mechanism of the diffusion models.
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.
Estimation of density functions supported on general domains arises when the data is naturally restricted to a proper subset of the real space. This problem is complicated by typically intractable normalizing constants. Score matching provides a powerful tool for estimating densities with such intractable normalizing constants, but as originally proposed is limited to densities on $mathbb{R}^m$ and $mathbb{R}_+^m$. In this paper, we offer a natural generalization of score matching that accommodates densities supported on a very general class of domains. We apply the framework to truncated graphical and pairwise interaction models, and provide theoretical guarantees for the resulting estimators. We also generalize a recently proposed method from bounded to unbounded domains, and empirically demonstrate the advantages of our method.
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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