Zhitang Chen

Ruoyu Wang, Mingyang Yi, Zhitang Chen et al.

In real-world applications, it is important and desirable to learn a model that performs well on out-of-distribution (OOD) data. Recently, causality has become a powerful tool to tackle the OOD generalization problem, with the idea resting on the causal mechanism that is invariant across domains of interest. To leverage the generally unknown causal mechanism, existing works assume a linear form of causal feature or require sufficiently many and diverse training domains, which are usually restrictive in practice. In this work, we obviate these assumptions and tackle the OOD problem without explicitly recovering the causal feature. Our approach is based on transformations that modify the non-causal feature but leave the causal part unchanged, which can be either obtained from prior knowledge or learned from the training data in the multi-domain scenario. Under the setting of invariant causal mechanism, we theoretically show that if all such transformations are available, then we can learn a minimax optimal model across the domains using only single domain data. Noticing that knowing a complete set of these causal invariant transformations may be impractical, we further show that it suffices to know only a subset of these transformations. Based on the theoretical findings, a regularized training procedure is proposed to improve the OOD generalization capability. Extensive experimental results on both synthetic and real datasets verify the effectiveness of the proposed algorithm, even with only a few causal invariant transformations.

Zizhe Chen, Jiqian Dong, Yizhou Tian et al.

Reinforcement learning (RL) refines large language models (LLMs) by directly optimizing model behavior through reward signals. While accurate state value estimation is critical for stable training in classical RL, it remains an underexplored challenge in LLM post-training. In this work, we introduce the State Value Estimation Benchmark (SVEB) to assess state estimation within existing RL frameworks and show that critics in standard approaches like PPO collapse to a coarse group-average baseline. To address this, we propose two techniques: Numca, which leverages numerical spans as gradable milestones for state value estimation, and Hista, a framework that uses LLM's hidden states as representation to weighted average disjoint rollouts and their return. Extensive experiments demonstrate that both methods yield more accurate state value estimates and enhance training performance across different RL algorithms and model sizes without incurring significant computational overhead.

Xinwei Shen, Shengyu Zhu, Jiji Zhang et al.

In a nonparametric setting, the causal structure is often identifiable only up to Markov equivalence, and for the purpose of causal inference, it is useful to learn a graphical representation of the Markov equivalence class (MEC). In this paper, we revisit the Greedy Equivalence Search (GES) algorithm, which is widely cited as a score-based algorithm for learning the MEC of the underlying causal structure. We observe that in order to make the GES algorithm consistent in a nonparametric setting, it is not necessary to design a scoring metric that evaluates graphs. Instead, it suffices to plug in a consistent estimator of a measure of conditional dependence to guide the search. We therefore present a reframing of the GES algorithm, which is more flexible than the standard score-based version and readily lends itself to the nonparametric setting with a general measure of conditional dependence. In addition, we propose a neural conditional dependence (NCD) measure, which utilizes the expressive power of deep neural networks to characterize conditional independence in a nonparametric manner. We establish the optimality of the reframed GES algorithm under standard assumptions and the consistency of using our NCD estimator to decide conditional independence. Together these results justify the proposed approach. Experimental results demonstrate the effectiveness of our method in causal discovery, as well as the advantages of using our NCD measure over kernel-based measures.

Mehrtash Mehrabi, Walid Masoudimansour, Yingxue Zhang et al.

The mobile communication enabled by cellular networks is the one of the main foundations of our modern society. Optimizing the performance of cellular networks and providing massive connectivity with improved coverage and user experience has a considerable social and economic impact on our daily life. This performance relies heavily on the configuration of the network parameters. However, with the massive increase in both the size and complexity of cellular networks, network management, especially parameter configuration, is becoming complicated. The current practice, which relies largely on experts' prior knowledge, is not adequate and will require lots of domain experts and high maintenance costs. In this work, we propose a learning-based framework for handover parameter configuration. The key challenge, in this case, is to tackle the complicated dependencies between neighboring cells and jointly optimize the whole network. Our framework addresses this challenge in two ways. First, we introduce a novel approach to imitate how the network responds to different network states and parameter values, called auto-grouping graph convolutional network (AG-GCN). During the parameter configuration stage, instead of solving the global optimization problem, we design a local multi-objective optimization strategy where each cell considers several local performance metrics to balance its own performance and its neighbors. We evaluate our proposed algorithm via a simulator constructed using real network data. We demonstrate that the handover parameters our model can find, achieve better average network throughput compared to those recommended by experts as well as alternative baselines, which can bring better network quality and stability. It has the potential to massively reduce costs arising from human expert intervention and maintenance.

Junlong Lyu, Zhitang Chen, Wenlong Lyu et al.

We proposed a new technique to accelerate sampling methods for solving difficult optimization problems. Our method investigates the intrinsic connection between posterior distribution sampling and optimization with Langevin dynamics, and then we propose an interacting particle scheme that approximates a Reweighted Interacting Langevin Diffusion system (RILD). The underlying system is designed by adding a multiplicative source term into the classical Langevin operator, leading to a higher convergence rate and a more concentrated invariant measure. We analyze the convergence rate of our algorithm and the improvement compared to existing results in the asymptotic situation. We also design various tests to verify our theoretical results, showing the advantages of accelerating convergence and breaking through barriers of suspicious local minimums, especially in high-dimensional non-convex settings. Our algorithms and analysis shed some light on combining gradient and genetic algorithms using Partial Differential Equations (PDEs) with provable guarantees.

Lin Yang, Junlong Lyu, Wenlong Lyu et al.

Bayesian Optimization (BO) is a sample-efficient optimization algorithm widely employed across various applications. In some challenging BO tasks, input uncertainty arises due to the inevitable randomness in the optimization process, such as machining errors, execution noise, or contextual variability. This uncertainty deviates the input from the intended value before evaluation, resulting in significant performance fluctuations in the final result. In this paper, we introduce a novel robust Bayesian Optimization algorithm, AIRBO, which can effectively identify a robust optimum that performs consistently well under arbitrary input uncertainty. Our method directly models the uncertain inputs of arbitrary distributions by empowering the Gaussian Process with the Maximum Mean Discrepancy (MMD) and further accelerates the posterior inference via Nystrom approximation. Rigorous theoretical regret bound is established under MMD estimation error and extensive experiments on synthetic functions and real problems demonstrate that our approach can handle various input uncertainties and achieve state-of-the-art performance.

Junlong Lyu, Zhitang Chen, Shoubo Feng

We provide the first convergence guarantees for the Consistency Models (CMs), a newly emerging type of one-step generative models that can generate comparable samples to those generated by Diffusion Models. Our main result is that, under the basic assumptions on score-matching errors, consistency errors and smoothness of the data distribution, CMs can efficiently sample from any realistic data distribution in one step with small $W_2$ error. Our results (1) hold for $L^2$-accurate score and consistency assumption (rather than $L^\infty$-accurate); (2) do note require strong assumptions on the data distribution such as log-Sobelev inequality; (3) scale polynomially in all parameters; and (4) match the state-of-the-art convergence guarantee for score-based generative models (SGMs). We also provide the result that the Multistep Consistency Sampling procedure can further reduce the error comparing to one step sampling, which support the original statement of "Consistency Models, Yang Song 2023". Our result further imply a TV error guarantee when take some Langevin-based modifications to the output distributions.

Wenlong Lyu, Shoubo Hu, Jie Chuai et al.

Bayesian optimization (BO) is widely adopted in black-box optimization problems and it relies on a surrogate model to approximate the black-box response function. With the increasing number of black-box optimization tasks solved and even more to solve, the ability to learn from multiple prior tasks to jointly pre-train a surrogate model is long-awaited to further boost optimization efficiency. In this paper, we propose a simple approach to pre-train a surrogate, which is a Gaussian process (GP) with a kernel defined on deep features learned from a Transformer-based encoder, using datasets from prior tasks with possibly heterogeneous input spaces. In addition, we provide a simple yet effective mix-up initialization strategy for input tokens corresponding to unseen input variables and therefore accelerate new tasks' convergence. Experiments on both synthetic and real benchmark problems demonstrate the effectiveness of our proposed pre-training and transfer BO strategy over existing methods.

Mingming Zhao, Xiaokang Wei, Yuanqi Shao et al.

Large language models (LLMs) have shown strong potential in automating the design of agentic workflows. However, existing methods still rely heavily on manually predefined operators, limiting generalization and scalability. To address this issue, we propose $A^2Flow$, a fully automated framework for agentic workflow generation based on self-adaptive abstraction operators. $A^2Flow$ employs a three-stage operator extraction process: 1) Case-based Initial Operator Generation: leveraging expert demonstrations and LLM reasoning to generate case-specific operators; 2) Operator Clustering and Preliminary Abstraction: grouping similar operators across tasks to form preliminary abstractions; and 3) Deep Extraction for Abstract Execution Operators: applying long chain-of-thought prompting and multi-path reasoning to derive compact and generalizable execution operators. These operators serve as reusable building blocks for workflow construction without manual predefinition. Furthermore, we enhance node-level workflow search with an operator memory mechanism, which retains historical outputs to enrich context and improve decision-making. Experiments on general and embodied benchmarks show that $A^2Flow$ achieves a 2.4\% and 19.3\% average performance improvement and reduces resource usage by 37\% over state-of-the-art baselines. Homepage:https://github.com/pandawei-ele/A2FLOW

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}.

Yinchuan Li, Xinyu Shao, Jianping Zhang et al.

In recent years, the exceptional performance of generative models in generative tasks has sparked significant interest in their integration into decision-making processes. Due to their ability to handle complex data distributions and their strong model capacity, generative models can be effectively incorporated into decision-making systems by generating trajectories that guide agents toward high-reward state-action regions or intermediate sub-goals. This paper presents a comprehensive review of the application of generative models in decision-making tasks. We classify seven fundamental types of generative models: energy-based models, generative adversarial networks, variational autoencoders, normalizing flows, diffusion models, generative flow networks, and autoregressive models. Regarding their applications, we categorize their functions into three main roles: controllers, modelers and optimizers, and discuss how each role contributes to decision-making. Furthermore, we examine the deployment of these models across five critical real-world decision-making scenarios. Finally, we summarize the strengths and limitations of current approaches and propose three key directions for advancing next-generation generative directive models: high-performance algorithms, large-scale generalized decision-making models, and self-evolving and adaptive models.

Tim Tse, Isaac Chan, Zhitang Chen

In this work, we propose a novel algorithmic framework for data sharing and coordinated exploration for the purpose of learning more data-efficient and better performing policies under a concurrent reinforcement learning (CRL) setting. In contrast to other work which make the assumption that all agents act under identical environments, we relax this restriction and instead consider the formulation where each agent acts within an environment which shares a global structure but also exhibits individual variations. Our algorithm leverages a causal inference algorithm in the form of Additive Noise Model - Mixture Model (ANM-MM) in extracting model parameters governing individual differentials via independence enforcement. We propose a new data sharing scheme based on a similarity measure of the extracted model parameters and demonstrate superior learning speeds on a set of autoregressive, pendulum and cart-pole swing-up tasks and finally, we show the effectiveness of diverse action selection between common agents under a sparse reward setting. To the best of our knowledge, this is the first work in considering non-identical environments in CRL and one of the few works which seek to integrate causal inference with reinforcement learning (RL).

Kaiyang Guo, Yinchuan Li, Zhitang Chen

Direct alignment methods typically optimize large language models (LLMs) by contrasting the likelihoods of preferred versus dispreferred responses. While effective in steering LLMs to match relative preference, these methods are frequently noted for decreasing the absolute likelihoods of example responses. As a result, aligned models tend to generate outputs that deviate from the expected patterns, exhibiting reward-hacking effect even without a reward model. This undesired consequence exposes a fundamental limitation in contrastive alignment, which we characterize as likelihood underdetermination. In this work, we revisit direct preference optimization (DPO) -- the seminal direct alignment method -- and demonstrate that its loss theoretically admits a decomposed reformulation. The reformulated loss not only broadens applicability to a wider range of feedback types, but also provides novel insights into the underlying cause of likelihood underdetermination. Specifically, the standard DPO implementation implicitly oversimplifies a regularizer in the reformulated loss, and reinstating its complete version effectively resolves the underdetermination issue. Leveraging these findings, we introduce PRoximalized PReference Optimization (PRO), a unified method to align with diverse feeback types, eliminating likelihood underdetermination through an efficient approximation of the complete regularizer. Comprehensive experiments show the superiority of PRO over existing methods in scenarios involving pairwise, binary and scalar feedback.

Haoyu Lei, Kaiwen Zhou, Yinchuan Li et al.

Diffusion-based Neural Combinatorial Optimization (NCO) has demonstrated effectiveness in solving NP-complete (NPC) problems by learning discrete diffusion models for solution generation, eliminating hand-crafted domain knowledge. Despite their success, existing NCO methods face significant challenges in both cross-scale and cross-problem generalization, and high training costs compared to traditional solvers. While recent studies on diffusion models have introduced training-free guidance approaches that leverage pre-defined guidance functions for conditional generation, such methodologies have not been extensively explored in combinatorial optimization. To bridge this gap, we propose a training-free inference time adaptation framework (DIFU-Ada) that enables both the zero-shot cross-problem transfer and cross-scale generalization capabilities of diffusion-based NCO solvers without requiring additional training. We provide theoretical analysis that helps understanding the cross-problem transfer capability. Our experimental results demonstrate that a diffusion solver, trained exclusively on the Traveling Salesman Problem (TSP), can achieve competitive zero-shot transfer performance across different problem scales on TSP variants, such as Prize Collecting TSP (PCTSP) and the Orienteering Problem (OP), through inference time adaptation.

Tim Tse, Zhitang Chen, Shengyu Zhu et al.

The discovery of causal relationships in a set of random variables is a fundamental objective of science and has also recently been argued as being an essential component towards real machine intelligence. One class of causal discovery techniques are founded based on the argument that there are inherent structural asymmetries between the causal and anti-causal direction which could be leveraged in determining the direction of causation. To go about capturing these discrepancies between cause and effect remains to be a challenge and many current state-of-the-art algorithms propose to compare the norms of the kernel mean embeddings of the conditional distributions. In this work, we argue that such approaches based on RKHS embeddings are insufficient in capturing principal markers of cause-effect asymmetry involving higher-order structural variabilities of the conditional distributions. We propose Kernel Intrinsic Invariance Measure with Heterogeneous Transform (KIIM-HT) which introduces a novel score measure based on heterogeneous transformation of RKHS embeddings to extract relevant higher-order moments of the conditional densities for causal discovery. Inference is made via comparing the score of each hypothetical cause-effect direction. Tests and comparisons on a synthetic dataset, a two-dimensional synthetic dataset and the real-world benchmark dataset Tübingen Cause-Effect Pairs verify our approach. In addition, we conduct a sensitivity analysis to the regularization parameter to faithfully compare previous work to our method and an experiment with trials on varied hyperparameter values to showcase the robustness of our algorithm.

Mengyue Yang, Xinyu Cai, Furui Liu et al.

It is evidence that representation learning can improve model's performance over multiple downstream tasks in many real-world scenarios, such as image classification and recommender systems. Existing learning approaches rely on establishing the correlation (or its proxy) between features and the downstream task (labels), which typically results in a representation containing cause, effect and spurious correlated variables of the label. Its generalizability may deteriorate because of the unstability of the non-causal parts. In this paper, we propose to learn causal representation from observational data by regularizing the learning procedure with mutual information measures according to our hypothetical causal graph. The optimization involves a counterfactual loss, based on which we deduce a theoretical guarantee that the causality-inspired learning is with reduced sample complexity and better generalization ability. Extensive experiments show that the models trained on causal representations learned by our approach is robust under adversarial attacks and distribution shift.

Junlong Lyu, Zhitang Chen, Chang Feng et al.

Invertible neural networks based on Coupling Flows CFlows) have various applications such as image synthesis and data compression. The approximation universality for CFlows is of paramount importance to ensure the model expressiveness. In this paper, we prove that CFlows can approximate any diffeomorphism in C^k-norm if its layers can approximate certain single-coordinate transforms. Specifically, we derive that a composition of affine coupling layers and invertible linear transforms achieves this universality. Furthermore, in parametric cases where the diffeomorphism depends on some extra parameters, we prove the corresponding approximation theorems for our proposed parametric coupling flows named Para-CFlows. In practice, we apply Para-CFlows as a neural surrogate model in contextual Bayesian optimization tasks, to demonstrate its superiority over other neural surrogate models in terms of optimization performance.

Xiangle Cheng, James He, Shihan Xiao et al.

Machine learning is gaining growing momentum in various recent models for the dynamic analysis of information flows in data communications networks. These preliminary models often rely on off-the-shelf learning models to predict from historical statistics while disregarding the physics governing the generating behaviors of these flows. This paper instead introduces Flow Neural Network (FlowNN) to improve the feature representation with learned physical bias. This is implemented by an induction layer, working upon the embedding layer, to impose the physics connected data correlations, and a self-supervised learning strategy with stop-gradient to make the learned physics universal. For the short-timescale network prediction tasks, FlowNN achieves 17% - 71% of loss decrease than the state-of-the-art baselines on both synthetic and real-world networking datasets, which shows the strength of this new approach.

Antoine Grosnit, Rasul Tutunov, Alexandre Max Maraval et al.

We introduce a method combining variational autoencoders (VAEs) and deep metric learning to perform Bayesian optimisation (BO) over high-dimensional and structured input spaces. By adapting ideas from deep metric learning, we use label guidance from the blackbox function to structure the VAE latent space, facilitating the Gaussian process fit and yielding improved BO performance. Importantly for BO problem settings, our method operates in semi-supervised regimes where only few labelled data points are available. We run experiments on three real-world tasks, achieving state-of-the-art results on the penalised logP molecule generation benchmark using just 3% of the labelled data required by previous approaches. As a theoretical contribution, we present a proof of vanishing regret for VAE BO.

Yunqi Wang, Furui Liu, Zhitang Chen et al.

Domain generalization aims to learn knowledge invariant across different distributions while semantically meaningful for downstream tasks from multiple source domains, to improve the model's generalization ability on unseen target domains. The fundamental objective is to understand the underlying "invariance" behind these observational distributions and such invariance has been shown to have a close connection to causality. While many existing approaches make use of the property that causal features are invariant across domains, we consider the causal invariance of the average causal effect of the features to the labels. This invariance regularizes our training approach in which interventions are performed on features to enforce stability of the causal prediction by the classifier across domains. Our work thus sheds some light on the domain generalization problem by introducing invariance of the mechanisms into the learning process. Experiments on several benchmark datasets demonstrate the performance of the proposed method against SOTAs.

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.

Minne Li, Mengyue Yang, Furui Liu et al.

The capability of imagining internally with a mental model of the world is vitally important for human cognition. If a machine intelligent agent can learn a world model to create a "dream" environment, it can then internally ask what-if questions -- simulate the alternative futures that haven't been experienced in the past yet -- and make optimal decisions accordingly. Existing world models are established typically by learning spatio-temporal regularities embedded from the past sensory signal without taking into account confounding factors that influence state transition dynamics. As such, they fail to answer the critical counterfactual questions about "what would have happened" if a certain action policy was taken. In this paper, we propose Causal World Models (CWMs) that allow unsupervised modeling of relationships between the intervened observations and the alternative futures by learning an estimator of the latent confounding factors. We empirically evaluate our method and demonstrate its effectiveness in a variety of physical reasoning environments. Specifically, we show reductions in sample complexity for reinforcement learning tasks and improvements in counterfactual physical reasoning.

Xinwei Shen, Furui Liu, Hanze Dong et al.

This paper proposes a Disentangled gEnerative cAusal Representation (DEAR) learning method under appropriate supervised information. Unlike existing disentanglement methods that enforce independence of the latent variables, we consider the general case where the underlying factors of interests can be causally related. We show that previous methods with independent priors fail to disentangle causally related factors even under supervision. Motivated by this finding, we propose a new disentangled learning method called DEAR that enables causal controllable generation and causal representation learning. The key ingredient of this new formulation is to use a structural causal model (SCM) as the prior distribution for a bidirectional generative model. The prior is then trained jointly with a generator and an encoder using a suitable GAN algorithm incorporated with supervised information on the ground-truth factors and their underlying causal structure. We provide theoretical justification on the identifiability and asymptotic convergence of the proposed method. We conduct extensive experiments on both synthesized and real data sets to demonstrate the effectiveness of DEAR in causal controllable generation, and the benefits of the learned representations for downstream tasks in terms of sample efficiency and distributional robustness.

Yifei Wang, Dan Peng, Furui Liu et al.

Adversarial Training (AT) is proposed to alleviate the adversarial vulnerability of machine learning models by extracting only robust features from the input, which, however, inevitably leads to severe accuracy reduction as it discards the non-robust yet useful features. This motivates us to preserve both robust and non-robust features and separate them with disentangled representation learning. Our proposed Adversarial Asymmetric Training (AAT) algorithm can reliably disentangle robust and non-robust representations without additional supervision on robustness. Empirical results show our method does not only successfully preserve accuracy by combining two representations, but also achieve much better disentanglement than previous work.

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.

Vahid Partovi Nia, Xinlin Li, Masoud Asgharian et al.

A probabilistic expert system emulates the decision-making ability of a human expert through a directional graphical model. The first step in building such systems is to understand data generation mechanism. To this end, one may try to decompose a multivariate distribution into product of several conditionals, and evolving a blackbox machine learning predictive models towards transparent cause-and-effect discovery. Most causal models assume a single homogeneous population, an assumption that may fail to hold in many applications. We show that when the homogeneity assumption is violated, causal models developed based on such assumption can fail to identify the correct causal direction. We propose an adjustment to a commonly used causal direction test statistic by using a $k$-means type clustering algorithm where both the labels and the number of components are estimated from the collected data to adjust the test statistic. Our simulation result show that the proposed adjustment significantly improves the performance of the causal direction test statistic for heterogeneous data. We study large sample behaviour of our proposed test statistic and demonstrate the application of the proposed method using real data.

Mengyue Yang, Furui Liu, Zhitang Chen et al.

Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to disentangle independent factors from observations. However, in real scenarios, factors with semantics are not necessarily independent. Instead, there might be an underlying causal structure which renders these factors dependent. We thus propose a new VAE based framework named CausalVAE, which includes a Causal Layer to transform independent exogenous factors into causal endogenous ones that correspond to causally related concepts in data. We further analyze the model identifiabitily, showing that the proposed model learned from observations recovers the true one up to a certain degree by providing supervision signals (e.g. feature labels). Experiments are conducted on various datasets, including synthetic and real word benchmark CelebA. Results show that the causal representations learned by CausalVAE are semantically interpretable, and their causal relationship as a Directed Acyclic Graph (DAG) is identified with good accuracy. Furthermore, we demonstrate that the proposed CausalVAE model is able to generate counterfactual data through "do-operation" to the causal factors.

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.

Ignavier Ng, Shengyu Zhu, Zhuangyan Fang et al.

This paper studies the problem of learning causal structures from observational data. We reformulate the Structural Equation Model (SEM) with additive noises in a form parameterized by binary graph adjacency matrix and show that, if the original SEM is identifiable, then the binary adjacency matrix can be identified up to super-graphs of the true causal graph under mild conditions. We then utilize the reformulated SEM to develop a causal structure learning method that can be efficiently trained using gradient-based optimization, by leveraging a smooth characterization on acyclicity and the Gumbel-Softmax approach to approximate the binary adjacency matrix. It is found that the obtained entries are typically near zero or one and can be easily thresholded to identify the edges. We conduct experiments on synthetic and real datasets to validate the effectiveness of the proposed method, and show that it readily includes different smooth model functions and achieves a much improved performance on most datasets considered.

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.

Shoubo Hu, Kun Zhang, Zhitang Chen et al.

Domain generalization (DG) aims to incorporate knowledge from multiple source domains into a single model that could generalize well on unseen target domains. This problem is ubiquitous in practice since the distributions of the target data may rarely be identical to those of the source data. In this paper, we propose Multidomain Discriminant Analysis (MDA) to address DG of classification tasks in general situations. MDA learns a domain-invariant feature transformation that aims to achieve appealing properties, including a minimal divergence among domains within each class, a maximal separability among classes, and overall maximal compactness of all classes. Furthermore, we provide the bounds on excess risk and generalization error by learning theory analysis. Comprehensive experiments on synthetic and real benchmark datasets demonstrate the effectiveness of MDA.

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.

Xiaoxiao Wang, Xueying Guo, Jie Chuai et al.

Cellular network configuration plays a critical role in network performance. In current practice, network configuration depends heavily on field experience of engineers and often remains static for a long period of time. This practice is far from optimal. To address this limitation, online-learning-based approaches have great potentials to automate and optimize network configuration. Learning-based approaches face the challenges of learning a highly complex function for each base station and balancing the fundamental exploration-exploitation tradeoff while minimizing the exploration cost. Fortunately, in cellular networks, base stations (BSs) often have similarities even though they are not identical. To leverage such similarities, we propose kernel-based multi-BS contextual bandit algorithm based on multi-task learning. In the algorithm, we leverage the similarity among different BSs defined by conditional kernel embedding. We present theoretical analysis of the proposed algorithm in terms of regret and multi-task-learning efficiency. We evaluate the effectiveness of our algorithm based on a simulator built by real traces.

Shoubo Hu, Zhitang Chen, Vahid Partovi Nia et al.

The inference of the causal relationship between a pair of observed variables is a fundamental problem in science, and most existing approaches are based on one single causal model. In practice, however, observations are often collected from multiple sources with heterogeneous causal models due to certain uncontrollable factors, which renders causal analysis results obtained by a single model skeptical. In this paper, we generalize the Additive Noise Model (ANM) to a mixture model, which consists of a finite number of ANMs, and provide the condition of its causal identifiability. To conduct model estimation, we propose Gaussian Process Partially Observable Model (GPPOM), and incorporate independence enforcement into it to learn latent parameter associated with each observation. Causal inference and clustering according to the underlying generating mechanisms of the mixture model are addressed in this work. Experiments on synthetic and real data demonstrate the effectiveness of our proposed approach.

Shoubo Hu, Zhitang Chen, Laiwan Chan

Although nonstationary data are more common in the real world, most existing causal discovery methods do not take nonstationarity into consideration. In this letter, we propose a kernel embedding-based approach, ENCI, for nonstationary causal model inference where data are collected from multiple domains with varying distributions. In ENCI, we transform the complicated relation of a cause-effect pair into a linear model of variables of which observations correspond to the kernel embeddings of the cause-and-effect distributions in different domains. In this way, we are able to estimate the causal direction by exploiting the causal asymmetry of the transformed linear model. Furthermore, we extend ENCI to causal graph discovery for multiple variables by transforming the relations among them into a linear nongaussian acyclic model. We show that by exploiting the nonstationarity of distributions, both cause-effect pairs and two kinds of causal graphs are identifiable under mild conditions. Experiments on synthetic and real-world data are conducted to justify the efficacy of ENCI over major existing methods.

Thomas G. Dietterich, George Trimponias, Zhitang Chen

Exogenous state variables and rewards can slow down reinforcement learning by injecting uncontrolled variation into the reward signal. We formalize exogenous state variables and rewards and identify conditions under which an MDP with exogenous state can be decomposed into an exogenous Markov Reward Process involving only the exogenous state+reward and an endogenous Markov Decision Process defined with respect to only the endogenous rewards. We also derive a variance-covariance condition under which Monte Carlo policy evaluation on the endogenous MDP is accelerated compared to using the full MDP. Similar speedups are likely to carry over to all RL algorithms. We develop two algorithms for discovering the exogenous variables and test them on several MDPs. Results show that the algorithms are practical and can significantly speed up reinforcement learning.

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.