Shengyu Zhu

Keli Zhang, Shengyu Zhu, Marcus Kalander et al.

$\texttt{gCastle}$ is an end-to-end Python toolbox for causal structure learning. It provides functionalities of generating data from either simulator or real-world dataset, learning causal structure from the data, and evaluating the learned graph, together with useful practices such as prior knowledge insertion, preliminary neighborhood selection, and post-processing to remove false discoveries. Compared with related packages, $\texttt{gCastle}$ includes many recently developed gradient-based causal discovery methods with optional GPU acceleration. $\texttt{gCastle}$ brings convenience to researchers who may directly experiment with the code as well as practitioners with graphical user interference. Three real-world datasets in telecommunications are also provided in the current version. $\texttt{gCastle}$ is available under Apache License 2.0 at \url{https://github.com/huawei-noah/trustworthyAI/tree/master/gcastle}.

Xiaoqiang Wang, Yali Du, Shengyu Zhu et al.

It is a long-standing question to discover causal relations among a set of variables in many empirical sciences. Recently, Reinforcement Learning (RL) has achieved promising results in causal discovery from observational data. However, searching the space of directed graphs and enforcing acyclicity by implicit penalties tend to be inefficient and restrict the existing RL-based method to small scale problems. In this work, we propose a novel RL-based approach for causal discovery, by incorporating RL into the ordering-based paradigm. Specifically, we formulate the ordering search problem as a multi-step Markov decision process, implement the ordering generating process with an encoder-decoder architecture, and finally use RL to optimize the proposed model based on the reward mechanisms designed for~each ordering. A generated ordering would then be processed using variable selection to obtain the final causal graph. We analyze the consistency and computational complexity of the proposed method, and empirically show that a pretrained model can be exploited to accelerate training. Experimental results on both synthetic and real data sets shows that the proposed method achieves a much improved performance over existing RL-based method.

Zhuangyan Fang, Yue Liu, Zhi Geng et al.

Causality is important for designing interpretable and robust methods in artificial intelligence research. We propose a local approach to identify whether a variable is a cause of a given target under the framework of causal graphical models of directed acyclic graphs (DAGs). In general, the causal relation between two variables may not be identifiable from observational data as many causal DAGs encoding different causal relations are Markov equivalent. In this paper, we first introduce a sufficient and necessary graphical condition to check the existence of a causal path from a variable to a target in every Markov equivalent DAG. Next, we provide local criteria for identifying whether a variable is a cause/non-cause of a target based only on the local structure instead of the entire graph. Finally, we propose a local learning algorithm for this causal query via learning the local structure of the variable and some additional statistical independence tests related to the target. Simulation studies show that our local algorithm is efficient and effective, compared with other state-of-art methods.

Zhuangyan Fang, Shengyu Zhu, Jiji Zhang et al.

Despite several advances in recent years, learning causal structures represented by directed acyclic graphs (DAGs) remains a challenging task in high dimensional settings when the graphs to be learned are not sparse. In this paper, we propose to exploit a low rank assumption regarding the (weighted) adjacency matrix of a DAG causal model to help address this problem. We utilize existing low rank techniques to adapt causal structure learning methods to take advantage of this assumption and establish several useful results relating interpretable graphical conditions to the low rank assumption. Specifically, we show that the maximum rank is highly related to hubs, suggesting that scale-free networks, which are frequently encountered in practice, tend to be low rank. Our experiments demonstrate the utility of the low rank adaptations for a variety of data models, especially with relatively large and dense graphs. Moreover, with a validation procedure, the adaptations maintain a superior or comparable performance even when graphs are not restricted to be low rank.

Ignavier Ng, Shengyu Zhu, Zhitang Chen et al.

Causal structure learning has been a challenging task in the past decades and several mainstream approaches such as constraint- and score-based methods have been studied with theoretical guarantees. Recently, a new approach has transformed the combinatorial structure learning problem into a continuous one and then solved it using gradient-based optimization methods. Following the recent state-of-the-arts, we propose a new gradient-based method to learn causal structures from observational data. The proposed method generalizes the recent gradient-based methods to a graph autoencoder framework that allows nonlinear structural equation models and is easily applicable to vector-valued variables. We demonstrate that on synthetic datasets, our proposed method outperforms other gradient-based methods significantly, especially on large causal graphs. We further investigate the scalability and efficiency of our method, and observe a near linear training time when scaling up the graph size.

Zhitang Chen, Shengyu Zhu, Yue Liu et al.

Reasoning based on causality, instead of association has been considered as a key ingredient towards real machine intelligence. However, it is a challenging task to infer causal relationship/structure among variables. In recent years, an Independent Mechanism (IM) principle was proposed, stating that the mechanism generating the cause and the one mapping the cause to the effect are independent. As the conjecture, it is argued that in the causal direction, the conditional distributions instantiated at different value of the conditioning variable have less variation than the anti-causal direction. Existing state-of-the-arts simply compare the variance of the RKHS mean embedding norms of these conditional distributions. In this paper, we prove that this norm-based approach sacrifices important information of the original conditional distributions. We propose a Kernel Intrinsic Invariance Measure (KIIM) to capture higher order statistics corresponding to the shapes of the density functions. We show our algorithm can be reduced to an eigen-decomposition task on a kernel matrix measuring intrinsic deviance/invariance. Causal directions can then be inferred by comparing the KIIM scores of two hypothetic directions. Experiments on synthetic and real data are conducted to show the advantages of our methods over existing solutions.

Shengyu Zhu, Biao Chen, Zhitang Chen et al.

We characterize the asymptotic performance of nonparametric one- and two-sample testing. The exponential decay rate or error exponent of the type-II error probability is used as the asymptotic performance metric, and an optimal test achieves the maximum rate subject to a constant level constraint on the type-I error probability. With Sanov's theorem, we derive a sufficient condition for one-sample tests to achieve the optimal error exponent in the universal setting, i.e., for any distribution defining the alternative hypothesis. We then show that two classes of Maximum Mean Discrepancy (MMD) based tests attain the optimal type-II error exponent on $\mathbb R^d$, while the quadratic-time Kernel Stein Discrepancy (KSD) based tests achieve this optimality with an asymptotic level constraint. For general two-sample testing, however, Sanov's theorem is insufficient to obtain a similar sufficient condition. We proceed to establish an extended version of Sanov's theorem and derive an exact error exponent for the quadratic-time MMD based two-sample tests. The obtained error exponent is further shown to be optimal among all two-sample tests satisfying a given level constraint. Our work hence provides an achievability result for optimal nonparametric one- and two-sample testing in the universal setting. Application to off-line change detection and related issues are also discussed.

Shengyu Zhu, Ignavier Ng, Zhitang Chen

Discovering causal structure among a set of variables is a fundamental problem in many empirical sciences. Traditional score-based casual discovery methods rely on various local heuristics to search for a Directed Acyclic Graph (DAG) according to a predefined score function. While these methods, e.g., greedy equivalence search, may have attractive results with infinite samples and certain model assumptions, they are usually less satisfactory in practice due to finite data and possible violation of assumptions. Motivated by recent advances in neural combinatorial optimization, we propose to use Reinforcement Learning (RL) to search for the DAG with the best scoring. Our encoder-decoder model takes observable data as input and generates graph adjacency matrices that are used to compute rewards. The reward incorporates both the predefined score function and two penalty terms for enforcing acyclicity. In contrast with typical RL applications where the goal is to learn a policy, we use RL as a search strategy and our final output would be the graph, among all graphs generated during training, that achieves the best reward. We conduct experiments on both synthetic and real datasets, and show that the proposed approach not only has an improved search ability but also allows a flexible score function under the acyclicity constraint.

Shengyu Zhu, Biao Chen, Zhitang Chen

Given two sets of independent samples from unknown distributions $P$ and $Q$, a two-sample test decides whether to reject the null hypothesis that $P=Q$. Recent attention has focused on kernel two-sample tests as the test statistics are easy to compute, converge fast, and have low bias with their finite sample estimates. However, there still lacks an exact characterization on the asymptotic performance of such tests, and in particular, the rate at which the type-II error probability decays to zero in the large sample limit. In this work, we establish that a class of kernel two-sample tests are exponentially consistent with Polish, locally compact Hausdorff sample space, e.g., $\mathbb R^d$. The obtained exponential decay rate is further shown to be optimal among all two-sample tests satisfying the level constraint, and is independent of particular kernels provided that they are bounded continuous and characteristic. Our results gain new insights into related issues such as fair alternative for testing and kernel selection strategy. Finally, as an application, we show that a kernel based test achieves the optimal detection for off-line change detection in the nonparametric setting.

Shengyu Zhu, Biao Chen, Pengfei Yang et al.

We characterize the asymptotic performance of nonparametric goodness of fit testing. The exponential decay rate of the type-II error probability is used as the asymptotic performance metric, and a test is optimal if it achieves the maximum rate subject to a constant level constraint on the type-I error probability. We show that two classes of Maximum Mean Discrepancy (MMD) based tests attain this optimality on $\mathbb R^d$, while the quadratic-time Kernel Stein Discrepancy (KSD) based tests achieve the maximum exponential decay rate under a relaxed level constraint. Under the same performance metric, we proceed to show that the quadratic-time MMD based two-sample tests are also optimal for general two-sample problems, provided that kernels are bounded continuous and characteristic. Key to our approach are Sanov's theorem from large deviation theory and the weak metrizable properties of the MMD and KSD.