The motivation for this paper is the investigation of the trade-offs implicit in probabilistic models used in machine learning. Models are often used to make predictions in the form of conditional probabilities. However, a pair of conditional distributions p(x|y) and p(y|x) may not be compatible with any joint distribution p(x,y). Given two such conditionals, determining if there exists a compatible joint is known as the compatibility problem. For discrete random variables, when the conditionals are encoded as probability tables, the compatibility problem has a known solution, which is computationally tractable. In this paper, we formalise and study a succinct version of the problem, encoding conditional distributions as arithmetic circuits. This is applicable to practical applications of probabilistic modelling in high-dimensional settings, including neural network models. We show that, for succinct circuit representations of conditionals, the compatibility problem is intractable. In the case that all probabilities are non-zero, the problem is co-NP-complete. In the case that probabilities can be zero, we give examples to demonstrate that several notions of compatibility can be distinguished, and we prove that multiple versions of the problem are PSPACE-complete. Furthermore, we show that, assuming the polynomial hierarchy does not collapse, there exist compatible succinct conditionals whose joint cannot be expressed succinctly. Implications of these results for probabilistic modelling and machine learning are discussed.
Peter Moskvichev, Siu Lun Chau, Dino Sejdinovicstat.ML cs.LG
Comparing conditional distributions is a fundamental challenge in statistics and machine learning, with applications across a wide range of domains. While proposed methods for measuring discrepancies using kernel embeddings of distributions in a reproducing kernel Hilbert space (RKHS) provide powerful non-parametric techniques, the existing literature remains fragmented and lacks a unified theoretical treatment. This paper addresses this gap by establishing a coherent framework for studying kernel-based methods to measure divergence between conditional distributions through what we refer to as conditional maximum mean discrepancy (CMMD). The CMMD consists of a family of metrics which we call levels, with three special cases each using a different type of RKHS embedding: CMMD$_0$ (conditional mean operators), CMMD$_1$ (conditional mean embeddings), and CMMD$_2$ (joint mean embeddings). We additionally introduce a general level $s$ CMMD, clarifying the required assumptions, and establishing mathematical connections between the levels through the lens of operator-based smoothing. In addition to reviewing previously proposed estimators, we introduce a novel doubly robust estimator for the CMMD that maintains consistency provided at least one of the underlying models is correctly specified. We provide numerical experiments demonstrating that the CMMD effectively captures complex conditional dependencies for statistical testing.