No Arabic abstract
Learned neural solvers have successfully been used to solve combinatorial optimization and decision problems. More general counting variants of these problems, however, are still largely solved with hand-crafted solvers. To bridge this gap, we introduce belief propagation neural networks (BPNNs), a class of parameterized operators that operate on factor graphs and generalize Belief Propagation (BP). In its strictest form, a BPNN layer (BPNN-D) is a learned iterative operator that provably maintains many of the desirable properties of BP for any choice of the parameters. Empirically, we show that by training BPNN-D learns to perform the task better than the original BP: it converges 1.7x faster on Ising models while providing tighter bounds. On challenging model counting problems, BPNNs compute estimates 100s of times faster than state-of-the-art handcrafted methods, while returning an estimate of comparable quality.
Graph neural network models have been extensively used to learn node representations for graph structured data in an end-to-end setting. These models often rely on localized first order approximations of spectral graph convolutions and hence are unable to capture higher-order relational information between nodes. Probabilistic Graphical Models form another class of models that provide rich flexibility in incorporating such relational information but are limited by inefficient approximate inference algorithms at higher order. In this paper, we propose to combine these approaches to learn better node and graph representations. First, we derive an efficient approximate sum-product loopy belief propagation inference algorithm for higher-order PGMs. We then embed the message passing updates into a neural network to provide the inductive bias of the inference algorithm in end-to-end learning. This gives us a model that is flexible enough to accommodate domain knowledge while maintaining the computational advantage. We further propose methods for constructing higher-order factors that are conditioned on node and edge features and share parameters wherever necessary. Our experimental evaluation shows that our model indeed captures higher-order information, substantially outperforming state-of-the-art $k$-order graph neural networks in molecular datasets.
We propose a nonparametric generalization of belief propagation, Kernel Belief Propagation (KBP), for pairwise Markov random fields. Messages are represented as functions in a reproducing kernel Hilbert space (RKHS), and message updates are simple linear operations in the RKHS. KBP makes none of the assumptions commonly required in classical BP algorithms: the variables need not arise from a finite domain or a Gaussian distribution, nor must their relations take any particular parametric form. Rather, the relations between variables are represented implicitly, and are learned nonparametrically from training data. KBP has the advantage that it may be used on any domain where kernels are defined (Rd, strings, groups), even where explicit parametric models are not known, or closed form expressions for the BP updates do not exist. The computational cost of message updates in KBP is polynomial in the training data size. We also propose a constant time approximate message update procedure by representing messages using a small number of basis functions. In experiments, we apply KBP to image denoising, depth prediction from still images, and protein configuration prediction: KBP is faster than competing classical and nonparametric approaches (by orders of magnitude, in some cases), while providing significantly more accurate results.
Graph Neural Networks (GNNs) for prediction tasks like node classification or edge prediction have received increasing attention in recent machine learning from graphically structured data. However, a large quantity of labeled graphs is difficult to obtain, which significantly limits the true success of GNNs. Although active learning has been widely studied for addressing label-sparse issues with other data types like text, images, etc., how to make it effective over graphs is an open question for research. In this paper, we present an investigation on active learning with GNNs for node classification tasks. Specifically, we propose a new method, which uses node feature propagation followed by K-Medoids clustering of the nodes for instance selection in active learning. With a theoretical bound analysis we justify the design choice of our approach. In our experiments on four benchmark datasets, the proposed method outperforms other representative baseline methods consistently and significantly.
Temporal-Difference learning (TD) [Sutton, 1988] with function approximation can converge to solutions that are worse than those obtained by Monte-Carlo regression, even in the simple case of on-policy evaluation. To increase our understanding of the problem, we investigate the issue of approximation errors in areas of sharp discontinuities of the value function being further propagated by bootstrap updates. We show empirical evidence of this leakage propagation, and show analytically that it must occur, in a simple Markov chain, when function approximation errors are present. For reversible policies, the result can be interpreted as the tension between two terms of the loss function that TD minimises, as recently described by [Ollivier, 2018]. We show that the upper bounds from [Tsitsiklis and Van Roy, 1997] hold, but they do not imply that leakage propagation occurs and under what conditions. Finally, we test whether the problem could be mitigated with a better state representation, and whether it can be learned in an unsupervised manner, without rewards or privileged information.
Belief propagation is a widely used message passing method for the solution of probabilistic models on networks such as epidemic models, spin models, and Bayesian graphical models, but it suffers from the serious shortcoming that it works poorly in the common case of networks that contain short loops. Here we provide a solution to this long-standing problem, deriving a belief propagation method that allows for fast calculation of probability distributions in systems with short loops, potentially with high density, as well as giving expressions for the entropy and partition function, which are notoriously difficult quantities to compute. Using the Ising model as an example, we show that our approach gives excellent results on both real and synthetic networks, improving significantly on standard message passing methods. We also discuss potential applications of our method to a variety of other problems.