High-order interactions between multiple objects are common in real-world applications. Although tensor decomposition is a popular framework for high-order interaction analysis and prediction, most methods cannot well exploit the valuable timestamp information in data. The existent methods either discard the timestamps or convert them into discrete steps or use over-simplistic decomposition models. As a result, these methods might not be capable enough of capturing complex, fine-grained temporal dynamics or making accurate predictions for long-term interaction results. To overcome these limitations, we propose a novel Temporal High-order Interaction decompoSition model based on Ordinary Differential Equations (THIS-ODE). We model the time-varying interaction result with a latent ODE. To capture the complex temporal dynamics, we use a neural network (NN) to learn the time derivative of the ODE state. We use the representation of the interaction objects to model the initial value of the ODE and to constitute a part of the NN input to compute the state. In this way, the temporal relationships of the participant objects can be estimated and encoded into their representations. For tractable and scalable inference, we use forward sensitivity analysis to efficiently compute the gradient of ODE state, based on which we use integral transform to develop a stochastic mini-batch learning algorithm. We demonstrate the advantage of our approach in simulation and four real-world applications.

The need for efficiently comparing and representing datasets with unknown alignment spans various fields, from model analysis and comparison in machine learning to trend discovery in collections of medical datasets. We use manifold learning to compare the intrinsic geometric structures of different datasets by comparing their diffusion operators, symmetric positive-definite (SPD) matrices that relate to approximations of the continuous Laplace-Beltrami operator from discrete samples. Existing methods typically assume known data alignment and compare such operators in a pointwise manner. Instead, we exploit the Riemannian geometry of SPD matrices to compare these operators and define a new theoretically-motivated distance based on a lower bound of the log-Euclidean metric. Our framework facilitates comparison of data manifolds expressed in datasets with different sizes, numbers of features, and measurement modalities. Our log-Euclidean signature (LES) distance recovers meaningful structural differences, outperforming competing methods in various application domains.

Deep reinforcement learning (DRL) agents are often sensitive to visual changes that were unseen in their training environments. To address this problem, we leverage the sequential nature of RL to learn robust representations that encode only task-relevant information from observations based on the unsupervised multi-view setting. Specif- ically, we introduce a novel contrastive version of the Multi-View Information Bottleneck (MIB) objective for temporal data. We train RL agents from pixels with this auxiliary objective to learn robust representations that can compress away task-irrelevant information and are predictive of task-relevant dynamics. This approach enables us to train high-performance policies that are robust to visual distractions and can generalize well to unseen environments. We demonstrate that our approach can achieve SOTA performance on a di- verse set of visual control tasks in the DeepMind Control Suite when the background is replaced with natural videos. In addition, we show that our approach outperforms well-established base- lines for generalization to unseen environments on the Procgen benchmark. Our code is open- sourced and available at https://github. com/BU-DEPEND-Lab/DRIBO.

We study the problem of observational causal inference with continuous treatment. We focus on the challenge of estimating the causal response curve for infrequently-observed treatment values.We design a new algorithm based on the framework of entropy balancing which learns weights that directly maximize causal inference accuracy using end-to-end optimization. Our weights can be customized for different datasets and causal inference algorithms. We propose a new theory for consistency of entropy balancing for continuous treatments. Using synthetic and real-world data, we show that our proposed algorithm outperforms the entropy balancing in terms of causal inference accuracy.

In recent years, multiplex network embedding has received great attention from researchers. However, existing multiplex network embedding methods neglect structural role information, which can be used to determine the structural similarity between nodes. To overcome this shortcoming, this work proposes a simple, effective, role-based embedding method for multiplex networks, called RMNE. The RMNE uses the structural role information of nodes to preserve the structural similarity between nodes in the entire multiplex network. Specifically, a role-modified random walk is designed to generate node sequences of each node, which can capture both the within-layer neighbors, structural role members, and cross-layer structural role members of a node. Additionally, the variant of RMNE extends the existing collaborative embedding method by unifying the structural role information into our method to obtain the role-based node representations. Finally, the proposed methods were evaluated on the network reconstruction, node classification, link prediction, and multi-class edge classification tasks. The experimental results on eight public, real-world multiplex networks demonstrate that the proposed methods outperform state-of-the-art baseline methods.

This paper considers the problem of measure estimation under the barycentric coding model (BCM), in which an unknown measure is assumed to belong to the set of Wasserstein-2 barycenters of a finite set of known measures. Estimating a measure under this model is equivalent to estimating the unknown barycentric coordinates. We provide novel geometrical, statistical, and computational insights for measure estimation under the BCM, consisting of three main results. Our first main result leverages the Riemannian geometry of Wasserstein-2 space to provide a procedure for recovering the barycentric coordinates as the solution to a quadratic optimization problem assuming access to the true reference measures. The essential geometric insight is that the parameters of this quadratic problem are determined by inner products between the optimal displacement maps from the given measure to the reference measures defining the BCM. Our second main result then establishes an algorithm for solving for the coordinates in the BCM when all the measures are observed empirically via i.i.d. samples. We prove precise rates of convergence for this algorithm---determined by the smoothness of the underlying measures and their dimensionality---thereby guaranteeing its statistical consistency. Finally, we demonstrate the utility of the BCM and associated estimation procedures in three application areas: (i) covariance estimation for Gaussian measures; (ii) image processing; and (iii) natural language processing.

Many causal and policy effects of interest are defined by linear functionals of high-dimensional or non-parametric regression functions. $\sqrt{n}$-consistent and asymptotically normal estimation of the object of interest requires debiasing to reduce the effects of regularization and/or model selection on the object of interest. Debiasing is typically achieved by adding a correction term to the plug-in estimator of the functional, which leads to properties such as semi-parametric efficiency, double robustness, and Neyman orthogonality. We implement an automatic debiasing procedure based on automatically learning the Riesz representation of the linear functional using Neural Nets and Random Forests. Our method only relies on black-box evaluation oracle access to the linear functional and does not require knowledge of its analytic form. We propose a multitasking Neural Net debiasing method with stochastic gradient descent minimization of a combined Riesz representer and regression loss, while sharing representation layers for the two functions. We also propose a Random Forest method which learns a locally linear representation of the Riesz function. Even though our method applies to arbitrary functionals, we experimentally find that it performs well compared to the state of art neural net based algorithm of Shi et al. (2019) for the case of the average treatment effect functional. We also evaluate our method on the problem of estimating average marginal effects with continuous treatments, using semi-synthetic data of gasoline price changes on gasoline demand.

Generalizing causal knowledge across environments is a common challenge shared across many of the data-driven disciplines, including AI and ML. Experiments are usually performed in one environment (e.g., in a lab, on Earth, in a training ground), almost invariably, with the intent of being used elsewhere (e.g., outside the lab, on Mars, in the real world), in an environment that is related but somewhat different than the original one, where certain conditions and mechanisms are likely to change. This generalization task has been studied in the causal inference literature under the rubric of transportability (Pearl and Bareinboim, 2011). While most transportability works focused on generalizing associational and interventional distributions, the generalization of counterfactual distributions has not been formally studied. In this paper, we investigate the transportability of counterfactuals from an arbitrary combination of observational and experimental distributions coming from disparate domains. Specifically, we introduce a sufficient and necessary graphical condition and develop an efficient, sound, and complete algorithm for transporting counterfactual quantities across domains in nonparametric settings. Failure of the algorithm implies the impossibility of generalizing the target counterfactual from the available data without further assumptions.

Traditional causal discovery methods mainly focus on estimating causal relations among measured variables, but in many real-world problems, such as questionnaire-based psychometric studies, measured variables are generated by latent variables that are causally related. Accordingly, this paper investigates the problem of discovering the hidden causal variables and estimating the causal structure, including both the causal relations among latent variables and those between latent and measured variables. We relax the frequently-used measurement assumption and allow the children of latent variables to be latent as well, and hence deal with a specific type of latent hierarchical causal structure. In particular, we define a minimal latent hierarchical structure and show that for linear non-Gaussian models with the minimal latent hierarchical structure, the whole structure is identifiable from only the measured variables. Moreover, we develop a principled method to identify the structure by testing for Generalized Independent Noise (GIN) conditions in specific ways. Experimental results on both synthetic and real-world data show the effectiveness of the proposed approach.

Learning representations that can decompose a multi-object scene into its constituent objects and recompose them flexibly is desirable for object-oriented reasoning and planning. Built upon object masks in the pixel space, existing metricsfor objectness can only evaluate generative models with an object-specific “slot” structure. We propose to directly measure compositionality in the representation space as a form of objections, making such evaluations tractable for a widerclass of models. Our metric, COAT (Compositional Object Algebra Test), evaluates if a generic representation exhibits certain geometric properties that underpin object compositionality beyond what is already captured by the raw pixel space. Our experiments on the popular CLEVR (Johnson et.al., 2018) domain reveal that existing disentanglement-based generative models are not as compositional as one might expect, suggesting room for further modeling improvements. We hope our work allows for a unified evaluation of object-centric representations, spanning generative as well as discriminative, self-supervised models.

The idea behind object-centric representation learning is that natural scenes can better be modeled as compositions of objects and their relations as opposed to distributed representations. This inductive bias can be injected into neural networks to potentially improve systematic generalization and performance of downstream tasks in scenes with multiple objects. In this paper, we train state-of-the-art unsupervised models on five common multi-object datasets and evaluate segmentation metrics and downstream object property prediction. In addition, we study generalization and robustness by investigating the settings where either a single object is out of distribution -- e.g., having an unseen color, texture, or shape -- or global properties of the scene are altered -- e.g., by occlusions, cropping, or increasing the number of objects. From our experimental study, we find object-centric representations to be useful for downstream tasks and generally robust to most distribution shifts affecting objects. However, when the distribution shift affects the input in a less structured manner, robustness in terms of segmentation and downstream task performance may vary significantly across models and distribution shifts.

Recently, graph neural networks (GNNs) have shown prominent performance in graph representation learning by leveraging knowledge from both graph structure and node features. However, most of them have two major limitations. First, GNNs can learn higher-order structural information by stacking more layers but can not deal with large depth due to the over-smoothing issue. Second, it is not easy to apply these methods on large graphs due to the expensive computation cost and high memory usage. In this paper, we present node-adaptive feature smoothing (NAFS), a simple non-parametric method that constructs node representations without parameter learning. NAFS first extracts the features of each node with its neighbors of different hops by feature smoothing, and then adaptively combines the smoothed features. Besides, the constructed node representation can further be enhanced by the ensemble of smoothed features extracted via different smoothing strategies. We conduct experiments on four benchmark datasets on two different application scenarios: node clustering and link prediction. Remarkably, NAFS with feature ensemble outperforms the state-of-the-art GNNs on these tasks and mitigates the aforementioned two limitations of most learning-based GNN counterparts.

Perceived signals in real-world scenarios are usually high-dimensional and noisy, and finding and using their representation that contains essential and sufficient information required by downstream decision-making tasks will help improve computational efficiency and generalization ability in the tasks. In this paper, we focus on partially observable environments and propose to learn a minimal set of state representations that capture sufficient information for decision-making, termed Action-Sufficient state Representations (ASRs). We build a generative environment model for the structural relationships among variables in the system and present a principled way to characterize ASRs based on structural constraints and the goal of maximizing cumulative reward in policy learning. We then develop a structured sequential Variational Auto-Encoder to estimate the environment model and extract ASRs. Our empirical results on CarRacing and VizDoom demonstrate a clear advantage of learning and using ASRs for policy learning. Moreover, the estimated environment model and ASRs allow learning behaviors from imagined outcomes in the compact latent space to improve sample efficiency.