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 Learning Graphical Models


Learning Nonsymmetric Determinantal Point Processes

Neural Information Processing Systems

Determinantal point processes (DPPs) have attracted substantial attention as an elegant probabilistic model that captures the balance between quality and diversity within sets. DPPs are conventionally parameterized by a positive semi-definite kernel matrix, and this symmetric kernel encodes only repulsive interactions between items. These so-called symmetric DPPs have significant expressive power, and have been successfully applied to a variety of machine learning tasks, including recommendation systems, information retrieval, and automatic summarization, among many others. Efficient algorithms for learning symmetric DPPs and sampling from these models have been reasonably well studied. However, relatively little attention has been given to nonsymmetric DPPs, which relax the symmetric constraint on the kernel. Nonsymmetric DPPs allow for both repulsive and attractive item interactions, which can significantly improve modeling power, resulting in a model that may better fit for some applications. We present a method that enables a tractable algorithm, based on maximum likelihood estimation, for learning nonsymmetric DPPs from data composed of observed subsets. Our method imposes a particular decomposition of the nonsymmetric kernel that enables such tractable learning algorithms, which we analyze both theoretically and experimentally. We evaluate our model on synthetic and real-world datasets, demonstrating improved predictive performance compared to symmetric DPPs, which have previously shown strong performance on modeling tasks associated with these datasets.


Scalable Bayesian inference of dendritic voltage via spatiotemporal recurrent state space models

Neural Information Processing Systems

Recent advances in optical voltage sensors have brought us closer to a critical goal in cellular neuroscience: imaging the full spatiotemporal voltage on a dendritic tree. However, current sensors and imaging approaches still face significant limitations in SNR and sampling frequency; therefore statistical denoising and interpolation methods remain critical for understanding single-trial spatiotemporal dendritic voltage dynamics. Previous denoising approaches were either based on an inadequate linear voltage model or scaled poorly to large trees. Here we introduce a scalable fully Bayesian approach. We develop a generative nonlinear model that requires few parameters per compartment of the cell but is nonetheless flexible enough to sample realistic spatiotemporal data. The model captures different dynamics in each compartment and leverages biophysical knowledge to constrain intra-and inter-compartmental dynamics. We obtain a full posterior distribution over spatiotemporal voltage via an augmented Gibbs sampling algorithm. The nonlinear smoother model outperforms previously developed linear methods, and scales to much larger systems than previous methods based on sequential Monte Carlo approaches.


Minimum Stein Discrepancy Estimators

Neural Information Processing Systems

When maximum likelihood estimation is infeasible, one often turns to score matching, contrastive divergence, or minimum probability flow to obtain tractable parameter estimates. We provide a unifying perspective of these techniques as minimum Stein discrepancy estimators, and use this lens to design new diffusion kernel Stein discrepancy (DKSD) and diffusion score matching (DSM) estimators with complementary strengths. We establish the consistency, asymptotic normality, and robustness of DKSD and DSM estimators, then derive stochastic Riemannian gradient descent algorithms for their efficient optimisation. The main strength of our methodology is its flexibility, which allows us to design estimators with desirable properties for specific models at hand by carefully selecting a Stein discrepancy. We illustrate this advantage for several challenging problems for score matching, such as non-smooth, heavy-tailed or light-tailed densities.


Leveraging Labeled and Unlabeled Data for Consistent Fair Binary Classification

Neural Information Processing Systems

We study the problem of fair binary classification using the notion of Equal Opportunity. It requires the true positive rate to distribute equally across the sensitive groups. Within this setting we show that the fair optimal classifier is obtained by recalibrating the Bayes classifier by a group-dependent threshold. We provide a constructive expression for the threshold. This result motivates us to devise a plug-in classification procedure based on both unlabeled and labeled datasets. While the latter is used to learn the output conditional probability, the former is used for calibration. The overall procedure can be computed in polynomial time and it is shown to be statistically consistent both in terms of the classification error and fairness measure. Finally, we present numerical experiments which indicate that our method is often superior or competitive with the state-of-the-art methods on benchmark datasets.


Expressive power of tensor-network factorizations for probabilistic modeling

Neural Information Processing Systems

Tensor-network techniques have recently proven useful in machine learning, both as a tool for the formulation of new learning algorithms and for enhancing the mathematical understanding of existing methods. Inspired by these developments, and the natural correspondence between tensor networks and probabilistic graphical models, we provide a rigorous analysis of the expressive power of various tensor-network factorizations of discrete multivariate probability distributions. These factorizations include non-negative tensor-trains/MPS, which are in correspondence with hidden Markov models, and Born machines, which are naturally related to the probabilistic interpretation of quantum circuits. When used to model probability distributions, they exhibit tractable likelihoods and admit efficient learning algorithms. Interestingly, we prove that there exist probability distributions for which there are unbounded separations between the resource requirements of some of these tensor-network factorizations. Of particular interest, using complex instead of real tensors can lead to an arbitrarily large reduction in the number of parameters of the network. Additionally, we introduce locally purified states (LPS), a new factorization inspired by techniques for the simulation of quantum systems, with provably better expressive power than all other representations considered. The ramifications of this result are explored through numerical experiments.


Combining Generative and Discriminative Models for Hybrid Inference

Neural Information Processing Systems

A graphical model is a structured representation of the data generating process. The traditional method to reason over random variables is to perform inference in this graphical model. However, in many cases the generating process is only a poor approximation of the much more complex true data generating process, leading to suboptimal estimation. The subtleties of the generative process are however captured in the data itself and we can ``learn to infer'', that is, learn a direct mapping from observations to explanatory latent variables. In this work we propose a hybrid model that combines graphical inference with a learned inverse model, which we structure as in a graph neural network, while the iterative algorithm as a whole is formulated as a recurrent neural network. By using cross-validation we can automatically balance the amount of work performed by graphical inference versus learned inference. We apply our ideas to the Kalman filter, a Gaussian hidden Markov model for time sequences, and show, among other things, that our model can estimate the trajectory of a noisy chaotic Lorenz Attractor much more accurately than either the learned or graphical inference run in isolation.


BehaveNet: nonlinear embedding and Bayesian neural decoding of behavioral videos

Neural Information Processing Systems

A fundamental goal of systems neuroscience is to understand the relationship between neural activity and behavior. Behavior has traditionally been characterized by low-dimensional, task-related variables such as movement speed or response times. More recently, there has been a growing interest in automated analysis of high-dimensional video data collected during experiments. Here we introduce a probabilistic framework for the analysis of behavioral video and neural activity. This framework provides tools for compression, segmentation, generation, and decoding of behavioral videos.


Regret Bounds for Learning State Representations in Reinforcement Learning

Neural Information Processing Systems

We consider the problem of online reinforcement learning when several state representations (mapping histories to a discrete state space) are available to the learning agent. At least one of these representations is assumed to induce a Markov decision process (MDP), and the performance of the agent is measured in terms of cumulative regret against the optimal policy giving the highest average reward in this MDP representation. We propose an algorithm (UCB-MS) with O(sqrt(T)) regret in any communicating Markov decision process. The regret bound shows that UCB-MS automatically adapts to the Markov model. This improves over the currently known best results in the literature that gave regret bounds of order O(T^(2/3)).


Stability and Generalization for Markov Chain Stochastic Gradient Methods

Neural Information Processing Systems

Recently there is a large amount of work devoted to the study of Markov chain stochastic gradient methods (MC-SGMs) which mainly focus on their convergence analysis for solving minimization problems. In this paper, we provide a comprehensive generalization analysis of MC-SGMs for both minimization and minimax problems through the lens of algorithmic stability in the framework of statistical learning theory. For empirical risk minimization (ERM) problems, we establish the optimal excess population risk bounds for both smooth and non-smooth cases by introducing on-average argument stability. For minimax problems, we develop a quantitative connection between on-average argument stability and generalization error which extends the existing results for uniform stability (Lei et al., 2021). We further develop the first nearly optimal convergence rates for convex-concave problems both in expectation and with high probability, which, combined with our stability results, show that the optimal generalization bounds can be attained for both smooth and non-smooth cases. To the best of our knowledge, this is the first generalization analysis of SGMs when the gradients are sampled from a Markov process.


On the relationship between variational inference and auto-associative memory

Neural Information Processing Systems

In this article, we propose a variational inference formulation of auto-associative memories, allowing us to combine perceptual inference and memory retrieval into the same mathematical framework. In this formulation, the prior probability distribution onto latent representations is made memory dependent, thus pulling the inference process towards previously stored representations. We then study how different neural network approaches to variational inference can be applied in this framework. We compare methods relying on amortized inference such as Variational Auto Encoders and methods relying on iterative inference such as Predictive Coding and suggest combining both approaches to design new auto-associative memory models. We evaluate the obtained algorithms on the CIFAR10 and CLEVR image datasets and compare them with other associative memory models such as Hopfield Networks, End-to-End Memory Networks and Neural Turing Machines.