The conventional understanding of adversarial training in generative adversarial networks (GANs) is that the discriminator is trained to estimate a divergence, and the generator learns to minimize this divergence. We argue that despite the fact that many variants of GANs were developed following this paradigm, the current theoretical understanding of GANs and their practical algorithms are inconsistent. In this paper, we leverage Wasserstein gradient flows which characterize the evolution of particles in the sample space, to gain theoretical insights and algorithmic inspiration of GANs. We introduce a unified generative modeling framework - MonoFlow: the particle evolution is rescaled via a monotonically increasing mapping of the log density ratio. Under our framework, adversarial training can be viewed as a procedure first obtaining MonoFlow's vector field via training the discriminator and the generator learns to draw the particle flow defined by the corresponding vector field. We also reveal the fundamental difference between variational divergence minimization and adversarial training. This analysis helps us to identify what types of generator loss functions can lead to the successful training of GANs and suggest that GANs may have more loss designs beyond the literature (e.g., non-saturated loss), as long as they realize MonoFlow. Consistent empirical studies are included to validate the effectiveness of our framework.
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Deep neural networks (DNN) have outstanding performance in various applications. Despite numerous efforts of the research community, out-of-distribution (OOD) samples remain a significant limitation of DNN classifiers. The ability to identify previously unseen inputs as novel is crucial in safety-critical applications such as self-driving cars, unmanned aerial vehicles, and robots. Existing approaches to detect OOD samples treat a DNN as a black box and evaluate the confidence score of the output predictions. Unfortunately, this method frequently fails, because DNNs are not trained to reduce their confidence for OOD inputs. In this work, we introduce a novel method for OOD detection. Our method is motivated by theoretical analysis of neuron activation patterns (NAP) in ReLU-based architectures. The proposed method does not introduce a high computational overhead due to the binary representation of the activation patterns extracted from convolutional layers. The extensive empirical evaluation proves its high performance on various DNN architectures and seven image datasets.
Discrete latent variables are considered important for real world data, which has motivated research on Variational Autoencoders (VAEs) with discrete latents. However, standard VAE training is not possible in this case, which has motivated different strategies to manipulate discrete distributions in order to train discrete VAEs similarly to conventional ones. Here we ask if it is also possible to keep the discrete nature of the latents fully intact by applying a direct discrete optimization for the encoding model. The approach is consequently strongly diverting from standard VAE-training by sidestepping sampling approximation, reparameterization trick and amortization. Discrete optimization is realized in a variational setting using truncated posteriors in conjunction with evolutionary algorithms. For VAEs with binary latents, we (A) show how such a discrete variational method ties into gradient ascent for network weights, and (B) how the decoder is used to select latent states for training. Conventional amortized training is more efficient and applicable to large neural networks. However, using smaller networks, we here find direct discrete optimization to be efficiently scalable to hundreds of latents. More importantly, we find the effectiveness of direct optimization to be highly competitive in `zero-shot' learning. In contrast to large supervised networks, the here investigated VAEs can, e.g., denoise a single image without previous training on clean data and/or training on large image datasets. More generally, the studied approach shows that training of VAEs is indeed possible without sampling-based approximation and reparameterization, which may be interesting for the analysis of VAE-training in general. For `zero-shot' settings a direct optimization, furthermore, makes VAEs competitive where they have previously been outperformed by non-generative approaches.
Anomaly detection (AD) is a crucial machine learning task that aims to learn patterns from a set of normal training samples to identify abnormal samples in test data. Most existing AD studies assume that the training and test data are drawn from the same data distribution, but the test data can have large distribution shifts arising in many real-world applications due to different natural variations such as new lighting conditions, object poses, or background appearances, rendering existing AD methods ineffective in such cases. In this paper, we consider the problem of anomaly detection under distribution shift and establish performance benchmarks on three widely-used AD and out-of-distribution (OOD) generalization datasets. We demonstrate that simple adaptation of state-of-the-art OOD generalization methods to AD settings fails to work effectively due to the lack of labeled anomaly data. We further introduce a novel robust AD approach to diverse distribution shifts by minimizing the distribution gap between in-distribution and OOD normal samples in both the training and inference stages in an unsupervised way. Our extensive empirical results on the three datasets show that our approach substantially outperforms state-of-the-art AD methods and OOD generalization methods on data with various distribution shifts, while maintaining the detection accuracy on in-distribution data.
In this paper, we consider a new approach for semi-discretization in time and spatial discretization of a class of semi-linear stochastic partial differential equations (SPDEs) with multiplicative noise. The drift term of the SPDEs is only assumed to satisfy a one-sided Lipschitz condition and the diffusion term is assumed to be globally Lipschitz continuous. Our new strategy for time discretization is based on the Milstein method from stochastic differential equations. We use the energy method for its error analysis and show a strong convergence order of nearly $1$ for the approximate solution. The proof is based on new H\"older continuity estimates of the SPDE solution and the nonlinear term. For the general polynomial-type drift term, there are difficulties in deriving even the stability of the numerical solutions. We propose an interpolation-based finite element method for spatial discretization to overcome the difficulties. Then we obtain $H^1$ stability, higher moment $H^1$ stability, $L^2$ stability, and higher moment $L^2$ stability results using numerical and stochastic techniques. The nearly optimal convergence orders in time and space are hence obtained by coupling all previous results. Numerical experiments are presented to implement the proposed numerical scheme and to validate the theoretical results.
The conditional moment problem is a powerful formulation for describing structural causal parameters in terms of observables, a prominent example being instrumental variable regression. A standard approach reduces the problem to a finite set of marginal moment conditions and applies the optimally weighted generalized method of moments (OWGMM), but this requires we know a finite set of identifying moments, can still be inefficient even if identifying, or can be theoretically efficient but practically unwieldy if we use a growing sieve of moment conditions. Motivated by a variational minimax reformulation of OWGMM, we define a very general class of estimators for the conditional moment problem, which we term the variational method of moments (VMM) and which naturally enables controlling infinitely-many moments. We provide a detailed theoretical analysis of multiple VMM estimators, including ones based on kernel methods and neural nets, and provide conditions under which these are consistent, asymptotically normal, and semiparametrically efficient in the full conditional moment model. We additionally provide algorithms for valid statistical inference based on the same kind of variational reformulations, both for kernel- and neural-net-based varieties. Finally, we demonstrate the strong performance of our proposed estimation and inference algorithms in a detailed series of synthetic experiments.
Locating 3D objects from a single RGB image via Perspective-n-Point (PnP) is a long-standing problem in computer vision. Driven by end-to-end deep learning, recent studies suggest interpreting PnP as a differentiable layer, allowing for partial learning of 2D-3D point correspondences by backpropagating the gradients of pose loss. Yet, learning the entire correspondences from scratch is highly challenging, particularly for ambiguous pose solutions, where the globally optimal pose is theoretically non-differentiable w.r.t. the points. In this paper, we propose the EPro-PnP, a probabilistic PnP layer for general end-to-end pose estimation, which outputs a distribution of pose with differentiable probability density on the SE(3) manifold. The 2D-3D coordinates and corresponding weights are treated as intermediate variables learned by minimizing the KL divergence between the predicted and target pose distribution. The underlying principle generalizes previous approaches, and resembles the attention mechanism. EPro-PnP can enhance existing correspondence networks, closing the gap between PnP-based method and the task-specific leaders on the LineMOD 6DoF pose estimation benchmark. Furthermore, EPro-PnP helps to explore new possibilities of network design, as we demonstrate a novel deformable correspondence network with the state-of-the-art pose accuracy on the nuScenes 3D object detection benchmark. Our code is available at //github.com/tjiiv-cprg/EPro-PnP-v2.
Diffusion models have shown incredible capabilities as generative models; indeed, they power the current state-of-the-art models on text-conditioned image generation such as Imagen and DALL-E 2. In this work we review, demystify, and unify the understanding of diffusion models across both variational and score-based perspectives. We first derive Variational Diffusion Models (VDM) as a special case of a Markovian Hierarchical Variational Autoencoder, where three key assumptions enable tractable computation and scalable optimization of the ELBO. We then prove that optimizing a VDM boils down to learning a neural network to predict one of three potential objectives: the original source input from any arbitrary noisification of it, the original source noise from any arbitrarily noisified input, or the score function of a noisified input at any arbitrary noise level. We then dive deeper into what it means to learn the score function, and connect the variational perspective of a diffusion model explicitly with the Score-based Generative Modeling perspective through Tweedie's Formula. Lastly, we cover how to learn a conditional distribution using diffusion models via guidance.
The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.
Generative adversarial networks (GANs) have been extensively studied in the past few years. Arguably the revolutionary techniques are in the area of computer vision such as plausible image generation, image to image translation, facial attribute manipulation and similar domains. Despite the significant success achieved in computer vision field, applying GANs over real-world problems still have three main challenges: (1) High quality image generation; (2) Diverse image generation; and (3) Stable training. Considering numerous GAN-related research in the literature, we provide a study on the architecture-variants and loss-variants, which are proposed to handle these three challenges from two perspectives. We propose loss and architecture-variants for classifying most popular GANs, and discuss the potential improvements with focusing on these two aspects. While several reviews for GANs have been presented, there is no work focusing on the review of GAN-variants based on handling challenges mentioned above. In this paper, we review and critically discuss 7 architecture-variant GANs and 9 loss-variant GANs for remedying those three challenges. The objective of this review is to provide an insight on the footprint that current GANs research focuses on the performance improvement. Code related to GAN-variants studied in this work is summarized on //github.com/sheqi/GAN_Review.
With the rapid increase of large-scale, real-world datasets, it becomes critical to address the problem of long-tailed data distribution (i.e., a few classes account for most of the data, while most classes are under-represented). Existing solutions typically adopt class re-balancing strategies such as re-sampling and re-weighting based on the number of observations for each class. In this work, we argue that as the number of samples increases, the additional benefit of a newly added data point will diminish. We introduce a novel theoretical framework to measure data overlap by associating with each sample a small neighboring region rather than a single point. The effective number of samples is defined as the volume of samples and can be calculated by a simple formula $(1-\beta^{n})/(1-\beta)$, where $n$ is the number of samples and $\beta \in [0,1)$ is a hyperparameter. We design a re-weighting scheme that uses the effective number of samples for each class to re-balance the loss, thereby yielding a class-balanced loss. Comprehensive experiments are conducted on artificially induced long-tailed CIFAR datasets and large-scale datasets including ImageNet and iNaturalist. Our results show that when trained with the proposed class-balanced loss, the network is able to achieve significant performance gains on long-tailed datasets.
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