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We present Path Integral Sampler~(PIS), a novel algorithm to draw samples from unnormalized probability density functions. The PIS is built on the Schr\"odinger bridge problem which aims to recover the most likely evolution of a diffusion process given its initial distribution and terminal distribution. The PIS draws samples from the initial distribution and then propagates the samples through the Schr\"odinger bridge to reach the terminal distribution. Applying the Girsanov theorem, with a simple prior diffusion, we formulate the PIS as a stochastic optimal control problem whose running cost is the control energy and terminal cost is chosen according to the target distribution. By modeling the control as a neural network, we establish a sampling algorithm that can be trained end-to-end. We provide theoretical justification of the sampling quality of PIS in terms of Wasserstein distance when sub-optimal control is used. Moreover, the path integrals theory is used to compute importance weights of the samples to compensate for the bias induced by the sub-optimality of the controller and time-discretization. We experimentally demonstrate the advantages of PIS compared with other start-of-the-art sampling methods on a variety of tasks.

We introduce the $\gamma$-model, a predictive model of environment dynamics with an infinite probabilistic horizon. Replacing standard single-step models with $\gamma$-models leads to generalizations of the procedures central to model-based control, including the model rollout and model-based value estimation. The $\gamma$-model, trained with a generative reinterpretation of temporal difference learning, is a natural continuous analogue of the successor representation and a hybrid between model-free and model-based mechanisms. Like a value function, it contains information about the long-term future; like a standard predictive model, it is independent of task reward. We instantiate the $\gamma$-model as both a generative adversarial network and normalizing flow, discuss how its training reflects an inescapable tradeoff between training-time and testing-time compounding errors, and empirically investigate its utility for prediction and control.

In this paper a class of optimization problems with uncertain linear constraints is discussed. It is assumed that the constraint coefficients are random vectors whose probability distributions are only partially known. Possibility theory is used to model the imprecise probabilities. In one of the interpretations, a possibility distribution (a membership function of a fuzzy set) in the set of coefficient realizations induces a necessity measure, which in turn defines a family of probability distributions in this set. The distributionally robust approach is then used to transform the imprecise constraints into deterministic counterparts. Namely, the uncertain left-had side of each constraint is replaced with the expected value with respect to the worst probability distribution that can occur. It is shown how to represent the resulting problem by using linear or second order cone constraints. This leads to problems which are computationally tractable for a wide class of optimization models, in particular for linear programming.

This work recasts time-dependent optimal control problems governed by partial differential equations in a Dynamic Mode Decomposition with control framework. Indeed, since the numerical solution of such problems requires a lot of computational effort, we rely on this specific data-driven technique, using both solution and desired state measurements to extract the underlying system dynamics. Thus, after the Dynamic Mode Decomposition operators construction, we reconstruct and perform future predictions for all the variables of interest at a lower computational cost with respect to the standard space-time discretized models. We test the methodology in terms of relative reconstruction and prediction errors on a boundary control for a Graetz flow and on a distributed control with Stokes constraints.

Semiconductor device models are essential to understand the charge transport in thin film transistors (TFTs). Using these TFT models to draw inference involves estimating parameters used to fit to the experimental data. These experimental data can involve extracted charge carrier mobility or measured current. Estimating these parameters help us draw inferences about device performance. Fitting a TFT model for a given experimental data using the model parameters relies on manual fine tuning of multiple parameters by human experts. Several of these parameters may have confounding effects on the experimental data, making their individual effect extraction a non-intuitive process during manual tuning. To avoid this convoluted process, we propose a new method for automating the model parameter extraction process resulting in an accurate model fitting. In this work, model choice based approximate Bayesian computation (aBc) is used for generating the posterior distribution of the estimated parameters using observed mobility at various gate voltage values. Furthermore, it is shown that the extracted parameters can be accurately predicted from the mobility curves using gradient boosted trees. This work also provides a comparative analysis of the proposed framework with fine-tuned neural networks wherein the proposed framework is shown to perform better.

The goal of Out-of-Distribution (OOD) generalization problem is to train a predictor that generalizes on all environments. Popular approaches in this field use the hypothesis that such a predictor shall be an \textit{invariant predictor} that captures the mechanism that remains constant across environments. While these approaches have been experimentally successful in various case studies, there is still much room for the theoretical validation of this hypothesis. This paper presents a new set of theoretical conditions necessary for an invariant predictor to achieve the OOD optimality. Our theory not only applies to non-linear cases, but also generalizes the necessary condition used in \citet{rojas2018invariant}. We also derive Inter Gradient Alignment algorithm from our theory and demonstrate its competitiveness on MNIST-derived benchmark datasets as well as on two of the three \textit{Invariance Unit Tests} proposed by \citet{aubinlinear}.

While Generative Adversarial Networks (GANs) have empirically produced impressive results on learning complex real-world distributions, recent work has shown that they suffer from lack of diversity or mode collapse. The theoretical work of Arora et al.~\cite{AroraGeLiMaZh17} suggests a dilemma about GANs' statistical properties: powerful discriminators cause overfitting, whereas weak discriminators cannot detect mode collapse. In contrast, we show in this paper that GANs can in principle learn distributions in Wasserstein distance (or KL-divergence in many cases) with polynomial sample complexity, if the discriminator class has strong distinguishing power against the particular generator class (instead of against all possible generators). For various generator classes such as mixture of Gaussians, exponential families, and invertible neural networks generators, we design corresponding discriminators (which are often neural nets of specific architectures) such that the Integral Probability Metric (IPM) induced by the discriminators can provably approximate the Wasserstein distance and/or KL-divergence. This implies that if the training is successful, then the learned distribution is close to the true distribution in Wasserstein distance or KL divergence, and thus cannot drop modes. Our preliminary experiments show that on synthetic datasets the test IPM is well correlated with KL divergence, indicating that the lack of diversity may be caused by the sub-optimality in optimization instead of statistical inefficiency.

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the structure of such complex data, but performing these inferences is generally difficult. Message-passing algorithms, such as belief propagation, are a natural way to disseminate evidence amongst correlated variables while exploiting the graph structure, but these algorithms can struggle when the conditional dependency graphs contain loops. Here we use Graph Neural Networks (GNNs) to learn a message-passing algorithm that solves these inference tasks. We first show that the architecture of GNNs is well-matched to inference tasks. We then demonstrate the efficacy of this inference approach by training GNNs on a collection of graphical models and showing that they substantially outperform belief propagation on loopy graphs. Our message-passing algorithms generalize out of the training set to larger graphs and graphs with different structure.

Quantum machine learning is expected to be one of the first potential general-purpose applications of near-term quantum devices. A major recent breakthrough in classical machine learning is the notion of generative adversarial training, where the gradients of a discriminator model are used to train a separate generative model. In this work and a companion paper, we extend adversarial training to the quantum domain and show how to construct generative adversarial networks using quantum circuits. Furthermore, we also show how to compute gradients -- a key element in generative adversarial network training -- using another quantum circuit. We give an example of a simple practical circuit ansatz to parametrize quantum machine learning models and perform a simple numerical experiment to demonstrate that quantum generative adversarial networks can be trained successfully.

We introduce an effective model to overcome the problem of mode collapse when training Generative Adversarial Networks (GAN). Firstly, we propose a new generator objective that finds it better to tackle mode collapse. And, we apply an independent Autoencoders (AE) to constrain the generator and consider its reconstructed samples as "real" samples to slow down the convergence of discriminator that enables to reduce the gradient vanishing problem and stabilize the model. Secondly, from mappings between latent and data spaces provided by AE, we further regularize AE by the relative distance between the latent and data samples to explicitly prevent the generator falling into mode collapse setting. This idea comes when we find a new way to visualize the mode collapse on MNIST dataset. To the best of our knowledge, our method is the first to propose and apply successfully the relative distance of latent and data samples for stabilizing GAN. Thirdly, our proposed model, namely Generative Adversarial Autoencoder Networks (GAAN), is stable and has suffered from neither gradient vanishing nor mode collapse issues, as empirically demonstrated on synthetic, MNIST, MNIST-1K, CelebA and CIFAR-10 datasets. Experimental results show that our method can approximate well multi-modal distribution and achieve better results than state-of-the-art methods on these benchmark datasets. Our model implementation is published here: //github.com/tntrung/gaan