Learning Graphical Models
Maximum Likelihood Training of Implicit Nonlinear Diffusion Model
Whereas diverse variations of diffusion models exist, extending the linear diffusion into a nonlinear diffusion process is investigated by very few works. The nonlinearity effect has been hardly understood, but intuitively, there would be promising diffusion patterns to efficiently train the generative distribution towards the data distribution. This paper introduces a data-adaptive nonlinear diffusion process for score-based diffusion models. The proposed Implicit Nonlinear Diffusion Model (INDM) learns by combining a normalizing flow and a diffusion process. This flow network is key to forming a nonlinear diffusion, as the nonlinearity depends on the flow network.
Robust Graph Structure Learning via Multiple Statistical Tests
Graph structure learning aims to learn connectivity in a graph from data. It is particularly important for many computer vision related tasks since no explicit graph structure is available for images for most cases. A natural way to construct a graph among images is to treat each image as a node and assign pairwise image similarities as weights to corresponding edges. It is well known that pairwise similarities between images are sensitive to the noise in feature representations, leading to unreliable graph structures. We address this problem from the viewpoint of statistical tests.
Pseudo-Spherical Contrastive Divergence
However, due to the intractable partition function, they are typically trained via contrastive divergence for maximum likelihood estimation. In this paper, we propose pseudo-spherical contrastive divergence (PS-CD) to generalize maximum likelihood learning of EBMs. PS-CD is derived from the maximization of a family of strictly proper homogeneous scoring rules, which avoids the computation of the intractable partition function and provides a generalized family of learning objectives that include contrastive divergence as a special case. Moreover, PS-CD allows us to flexibly choose various learning objectives to train EBMs without additional computational cost or variational minimax optimization. Theoretical analysis on the proposed method and extensive experiments on both synthetic data and commonly used image datasets demonstrate the effectiveness and modeling flexibility of PS-CD, as well as its robustness to data contamination, thus showing its superiority over maximum likelihood and f -EBMs.
Joint Bayesian Inference of Graphical Structure and Parameters with a Single Generative Flow Network
Generative Flow Networks (GFlowNets), a class of generative models over discrete and structured sample spaces, have been previously applied to the problem of inferring the marginal posterior distribution over the directed acyclic graph (DAG) of a Bayesian Network, given a dataset of observations. Based on recent advances extending this framework to non-discrete sample spaces, we propose in this paper to approximate the joint posterior over not only the structure of a Bayesian Network, but also the parameters of its conditional probability distributions. We use a single GFlowNet whose sampling policy follows a two-phase process: the DAG is first generated sequentially one edge at a time, and then the corresponding parameters are picked once the full structure is known. Since the parameters are included in the posterior distribution, this leaves more flexibility for the local probability models of the Bayesian Network, making our approach applicable even to non-linear models parametrized by neural networks. We show that our method, called JSP-GFN, offers an accurate approximation of the joint posterior, while comparing favorably against existing methods on both simulated and real data.
Finite-Sample Maximum Likelihood Estimation of Location
We consider 1-dimensional location estimation, where we estimate a parameter \lambda from n samples \lambda \eta_i, with each \eta_i drawn i.i.d. For fixed f the maximum-likelihood estimate (MLE) is well-known to be optimal in the limit as n \to \infty: it is asymptotically normal with variance matching the Cramer-Rao lower bound of \frac{1}{n\mathcal{I}}, where \mathcal{I} is the Fisher information of f . However, this bound does not hold for finite n, or when f varies with n . We show for arbitrary f and n that one can recover a similar theory based on the Fisher information of a smoothed version of f, where the smoothing radius decays with n .
GSLB: The Graph Structure Learning Benchmark
Graph Structure Learning (GSL) has recently garnered considerable attention due to its ability to optimize both the parameters of Graph Neural Networks (GNNs) and the computation graph structure simultaneously. Despite the proliferation of GSL methods developed in recent years, there is no standard experimental setting or fair comparison for performance evaluation, which creates a great obstacle to understanding the progress in this field. To fill this gap, we systematically analyze the performance of GSL in different scenarios and develop a comprehensive Graph Structure Learning Benchmark (GSLB) curated from 20 diverse graph datasets and 16 distinct GSL algorithms. Specifically, GSLB systematically investigates the characteristics of GSL in terms of three dimensions: effectiveness, robustness, and complexity. We comprehensively evaluate state-of-the-art GSL algorithms in node- and graph-level tasks, and analyze their performance in robust learning and model complexity.
Robust Anytime Learning of Markov Decision Processes
Markov decision processes (MDPs) are formal models commonly used in sequential decision-making. MDPs capture the stochasticity that may arise, for instance, from imprecise actuators via probabilities in the transition function. However, in data-driven applications, deriving precise probabilities from (limited) data introduces statistical errors that may lead to unexpected or undesirable outcomes.Uncertain MDPs (uMDPs) do not require precise probabilities but instead use so-called uncertainty sets in the transitions, accounting for such limited data.Tools from the formal verification community efficiently compute robust policies that provably adhere to formal specifications, like safety constraints, under the worst-case instance in the uncertainty set. We continuously learn the transition probabilities of an MDP in a robust anytime-learning approach that combines a dedicated Bayesian inference scheme with the computation of robust policies. In particular, our method (1) approximates probabilities as intervals, (2) adapts to new data that may be inconsistent with an intermediate model, and (3) may be stopped at any time to compute a robust policy on the uMDP that faithfully captures the data so far. Furthermore, our method is capable of adapting to changes in the environment.
Regret Bounds for Information-Directed Reinforcement Learning
Information-directed sampling (IDS) has revealed its potential as a data-efficient algorithm for reinforcement learning (RL). However, theoretical understanding of IDS for Markov Decision Processes (MDPs) is still limited. We develop novel information-theoretic tools to bound the information ratio and cumulative information gain about the learning target. Our theoretical results shed light on the importance of choosing the learning target such that the practitioners can balance the computation and regret bounds. As a consequence, we derive prior-free Bayesian regret bounds for vanilla-IDS which learns the whole environment under tabular finite-horizon MDPs.
Variational Gaussian processes for linear inverse problems
By now Bayesian methods are routinely used in practice for solving inverse problems. In inverse problems the parameter or signal of interest is observed only indirectly, as an image of a given map, and the observations are typically further corrupted with noise. Bayes offers a natural way to regularize these problems via the prior distribution and provides a probabilistic solution, quantifying the remaining uncertainty in the problem. However, the computational costs of standard, sampling based Bayesian approaches can be overly large in such complex models. Therefore, in practice variational Bayes is becoming increasingly popular. Nevertheless, the theoretical understanding of these methods is still relatively limited, especially in context of inverse problems.In our analysis we investigate variational Bayesian methods for Gaussian process priors to solve linear inverse problems.
Learning Energy-based Model via Dual-MCMC Teaching
This paper studies the fundamental learning problem of the energy-based model (EBM). Learning the EBM can be achieved using the maximum likelihood estimation (MLE), which typically involves the Markov Chain Monte Carlo (MCMC) sampling, such as the Langevin dynamics. However, the noise-initialized Langevin dynamics can be challenging in practice and hard to mix. This motivates the exploration of joint training with the generator model where the generator model serves as a complementary model to bypass MCMC sampling. However, such a method can be less accurate than the MCMC and result in biased EBM learning.