Causal Discovery for Relational Domains: Representation, Reasoning, and Learning

Many domains are currently experiencing the growing trend to record and analyze massive, observational data sets with increasing complexity. A commonly made claim is that these data sets hold potential to transform their corresponding domains by providing previously unknown or unexpected explanations and enabling informed decision-making. However, only knowledge of the underlying causal generative process, as opposed to knowledge of associational patterns, can support such tasks. Most methods for traditional causal discovery—the development of algorithms that learn causal structure from observational data—are restricted to representations that require limiting assumptions on the form of the data. Causal discovery has almost exclusively been applied to directed graphical models of propositional data that assume a single type of entity with independence among instances. However, most real-world domains are characterized by systems that involve complex interactions among multiple types of entities. Many state-of-the-art methods in statistics and machine learning that address such complex systems focus on learning associational models, and they are oftentimes mistakenly interpreted as causal. The intersection between causal discovery and machine learning in complex systems is small. The primary objective of this thesis is to extend causal discovery to such complex systems. Specifically, I formalize a relational representation and model that can express the causal and probabilistic dependencies among the attributes of interacting, heterogeneous entities. I show that the traditional method for reasoning about statistical independence from model structure fails to accurately derive conditional independence facts from relational models. I introduce a new theory—relational d-separation—and a novel, lifted representation—the abstract ground graph—that supports a sound, complete, and computationally efficient method for algorithmically deriving conditional independencies from probabilistic models of relational data. The abstract ground graph representation also presents causal implications that enable the detection of causal direction for bivariate relational dependencies without parametric assumptions. I leverage these implications and the theoretical framework of relational d-separation to develop a sound and complete algorithm—the relational causal discovery (RCD) algorithm—that learns causal structure from relational data

Tell me why! Explanations support learning relational and causal structure

Inferring the abstract relational and causal structure of the world is a major challenge for reinforcement-learning (RL) agents. For humans, language--particularly in the form of explanations--plays a considerable role in overcoming this challenge. Here, we show that language can play a similar role for deep RL agents in complex environments. While agents typically struggle to acquire relational and causal knowledge, augmenting their experience by training them to predict language descriptions and explanations can overcome these limitations. We show that language can help agents learn challenging relational tasks, and examine which aspects of language contribute to its benefits. We then show that explanations can help agents to infer not only relational but also causal structure. Language can shape the way that agents to generalize out-of-distribution from ambiguous, causally-confounded training, and explanations even allow agents to learn to perform experimental interventions to identify causal relationships. Our results suggest that language description and explanation may be powerful tools for improving agent learning and generalization.Comment: ICML 2022; 23 page

Method for Enabling Causal Inference in Relational Domains

The analysis of data from complex systems is quickly becoming a fundamental aspect of modern business, government, and science. The field of causal learning is concerned with developing a set of statistical methods that allow practitioners make inferences about unseen interventions. This field has seen significant advances in recent years. However, the vast majority of this work assumes that data instances are independent, whereas many systems are best described in terms of interconnected instances, i.e. relational systems. This discrepancy prevents causal inference techniques from being reliably applied in many real-world settings. In this thesis, I will present three contributions to the field of causal inference that seek to enable the analysis of relational systems. First, I will present theory for consistently testing statistical dependence in relational domains. I then show how the significance of this test can be measured in practice using a novel bootstrap method for structured domains. Second, I show that statistical dependence in relational domains is inherently asymmetric, implying a simple test of causal direction from observational data. This test requires no assumptions on either the marginal distributions of variables or the functional form of dependence. Third, I describe relational causal adjustment, a procedure to identify the effects of arbitrary interventions from observational relational data via an extension of Pearl\u27s backdoor criterion. A series of evaluations on synthetic domains shows the estimates obtained by relational causal adjustment are close to those obtained from explicit experimentation

Shift-Robust Molecular Relational Learning with Causal Substructure

Recently, molecular relational learning, whose goal is to predict the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. In this work, we propose CMRL that is robust to the distributional shift in molecular relational learning by detecting the core substructure that is causally related to chemical reactions. To do so, we first assume a causal relationship based on the domain knowledge of molecular sciences and construct a structural causal model (SCM) that reveals the relationship between variables. Based on the SCM, we introduce a novel conditional intervention framework whose intervention is conditioned on the paired molecule. With the conditional intervention framework, our model successfully learns from the causal substructure and alleviates the confounding effect of shortcut substructures that are spuriously correlated to chemical reactions. Extensive experiments on various tasks with real-world and synthetic datasets demonstrate the superiority of CMRL over state-of-the-art baseline models. Our code is available at https://github.com/Namkyeong/CMRL.Comment: KDD 202

Learning Collective Behavior in Multi-relational Networks

With the rapid expansion of the Internet and WWW, the problem of analyzing social media data has received an increasing amount of attention in the past decade. The boom in social media platforms offers many possibilities to study human collective behavior and interactions on an unprecedented scale. In the past, much work has been done on the problem of learning from networked data with homogeneous topologies, where instances are explicitly or implicitly inter-connected by a single type of relationship. In contrast to traditional content-only classification methods, relational learning succeeds in improving classification performance by leveraging the correlation of the labels between linked instances. However, networked data extracted from social media, web pages, and bibliographic databases can contain entities of multiple classes and linked by various causal reasons, hence treating all links in a homogeneous way can limit the performance of relational classifiers. Learning the collective behavior and interactions in heterogeneous networks becomes much more complex. The contribution of this dissertation include 1) two classification frameworks for identifying human collective behavior in multi-relational social networks; 2) unsupervised and supervised learning models for relationship prediction in multi-relational collaborative networks. Our methods improve the performance of homogeneous predictive models by differentiating heterogeneous relations and capturing the prominent interaction patterns underlying the network structure. The work has been evaluated in various real-world social networks. We believe that this study will be useful for analyzing human collective behavior and interactions specifically in the scenario when the heterogeneous relationships in the network arise from various causal reasons