Message passing neural networks (MPNN) have seen a steep rise in popularity since their introduction as generalizations of convolutional neural networks to graph structured data, and are now considered state-of-the-art tools for solving a large variety of graph-focused problems. We study the generalization error of MPNNs in graph classification and regression. We assume that graphs of different classes are sampled from different random graph models. We show that, when training a MPNN on a dataset sampled from such a distribution, the generalization gap increases in the complexity of the MPNN, and decreases, not only with respect to the number of training samples, but also with the average number of nodes in the graphs. This shows how a MPNN with high complexity can generalize from a small dataset of graphs, as long as the graphs are large. The generalization bound is derived from a uniform convergence result, that shows that any MPNN, applied on a graph, approximates the MPNN applied on the geometric model that the graph discretizes.

Feature importance (FI) estimates are a popular form of explanation, and they are commonly created and evaluated by computing the change in model confidence caused by removing certain input features at test time. For example, in the standard Sufficiency metric, only the top-k most important tokens are kept. In this paper, we study several under-explored dimensions of FI explanations, providing conceptual and empirical improvements for this form of explanation. First, we advance a new argument for why it can be problematic to remove features from an input when creating or evaluating explanations: the fact that these counterfactual inputs are out-of-distribution (OOD) to models implies that the resulting explanations are socially misaligned. The crux of the problem is that the model prior and random weight initialization influence the explanations (and explanation metrics) in unintended ways.

Estimating conditional average treatment effect from observational data is highly challenging due to the existence of treatment selection bias. Prevalent methods mitigate this issue by aligning distributions of different treatment groups in the latent space. However, there are two critical problems that these methods fail to address: (1) mini-batch sampling effects (MSE), which causes misalignment in non-ideal mini-batches with outcome imbalance and outliers; (2) unobserved confounder effects (UCE), which results in inaccurate discrepancy calculation due to the neglect of unobserved confounders. To tackle these problems, we propose a principled approach named Entire Space CounterFactual Regression (ESCFR), which is a new take on optimal transport in the context of causality. Specifically, based on the framework of stochastic optimal transport, we propose a relaxed masspreserving regularizer to address the MSE issue and design a proximal factual outcome regularizer to handle the UCE issue. Extensive experiments demonstrate that our proposed ESCFR can successfully tackle the treatment selection bias and achieve significantly better performance than state-of-the-art methods.

We study federated contextual linear bandits, where M agents cooperate with each other to solve a global contextual linear bandit problem with the help of a central server. We consider the asynchronous setting, where all agents work independently and the communication between one agent and the server will not trigger other agents' communication. We propose a simple algorithm named FedLinUCBbased on the principle of optimism.

Deep learning has exhibited superior performance for various tasks, especially for high-dimensional datasets, such as images. To understand this property, we investigate the approximation and estimation ability of deep learning on anisotropic Besov spaces. The anisotropic Besov space is characterized by direction-dependent smoothness and includes several function classes that have been investigated thus far. We demonstrate that the approximation error and estimation error of deep learning only depend on the average value of the smoothness parameters in all directions. Consequently, the curse of dimensionality can be avoided if the smoothness of the target function is highly anisotropic. Unlike existing studies, our analysis does not require a low-dimensional structure of the input data. We also investigate the minimax optimality of deep learning and compare its performance with that of the kernel method (more generally, linear estimators). The results show that deep learning has better dependence on the input dimensionality if the target function possesses anisotropic smoothness, and it achieves an adaptive rate for functions with spatially inhomogeneous smoothness.

Deep learning has exhibited superior performance for various tasks, especially for high-dimensional datasets, such as images. To understand this property, we investigate the approximation and estimation ability of deep learning on anisotropic Besov spaces. The anisotropic Besov space is characterized by direction-dependent smoothness and includes several function classes that have been investigated thus far. We demonstrate that the approximation error and estimation error of deep learning only depend on the average value of the smoothness parameters in all directions. Consequently, the curse of dimensionality can be avoided if the smoothness of the target function is highly anisotropic. Unlike existing studies, our analysis does not require a low-dimensional structure of the input data. We also investigate the minimax optimality of deep learning and compare its performance with that of the kernel method (more generally, linear estimators). The results show that deep learning has better dependence on the input dimensionality if the target function possesses anisotropic smoothness, and it achieves an adaptive rate for functions with spatially inhomogeneous smoothness.