Graph neural networks (GNNs) have achieved superior performance in various applications, but training dedicated GNNs can be costly for large-scale graphs. Some recent work started to study the pre-training of GNNs. However, none of them provide theoretical insights into the design of their frameworks, or clear requirements and guarantees towards their transferability. In this work, we establish a theoretically grounded and practically useful framework for the transfer learning of GNNs. Firstly, we propose a novel view towards the essential graph information and advocate the capturing of it as the goal of transferable GNN training, which motivates the design of EGI (Ego-Graph Information maximization) to analytically achieve this goal. Secondly, when node features are structure-relevant, we conduct an analysis of EGI transferability regarding the difference between the local graph Laplacians of the source and target graphs. We conduct controlled synthetic experiments to directly justify our theoretical conclusions. Comprehensive experiments on two real-world network datasets show consistent results in the analyzed setting of direct-transfering, while those on large-scale knowledge graphs show promising results in the more practical setting of transfering with fine-tuning.1

The contextual linear bandit is an important online learning problem where given arm features, a learning agent selects an arm at each round to maximize the cumulative rewards in the long run. A line of works, called the clustering of bandits (CB), utilize the collaborative effect over user preferences and have shown significant improvements over classic linear bandit algorithms. However, existing CB algorithms require well-specified linear user models and can fail when this critical assumption does not hold. Whether robust CB algorithms can be designed for more practical scenarios with misspecified user models remains an open problem. In this paper, we are the first to present the important problem of clustering of bandits with misspecified user models (CBMUM), where the expected rewards in user models can be perturbed away from perfect linear models. We devise two robust CB algorithms, RCLUMB and RSCLUMB (representing the learned clustering structure with dynamic graph and sets, respectively), that can accommodate the inaccurate user preference estimations and erroneous clustering caused by model misspecifications. We prove regret upper bounds of O(ϵ T mdlogT + d mT logT) for our algorithms under milder assumptions than previous CB works (notably, we move past a restrictive technical assumption on the distribution of the arms), which match the lower bound asymptotically in T up to logarithmic factors, and also match the state-of-the-art results in several degenerate cases. The techniques in proving the regret caused by misclustering users are quite general and may be of independent interest. Experiments on both synthetic and real-world data show our outperformance over previous algorithms.

Areas under ROC (AUROC) and precision-recall curves (AUPRC) are common metrics for evaluating classification performance for imbalanced problems. Compared with AUROC, AUPRC is a more appropriate metric for highly imbalanced datasets. While stochastic optimization of AUROC has been studied extensively, principled stochastic optimization of AUPRC has been rarely explored. In this work, we propose a principled technical method to optimize AUPRC for deep learning. Our approach is based on maximizing the averaged precision (AP), which is an unbiased point estimator of AUPRC.

The maximum a posteriori (MAP) inference for determinantal point processes (DPPs) is crucial for selecting diverse items in many machine learning applications. Although DPPMAP inference is NP-hard, the greedy algorithm often finds highquality solutions, and many researchers have studied its efficient implementation. One classical and practical method is the lazy greedy algorithm, which is applicable to general submodular function maximization, while a recent fast greedy algorithm based on the Cholesky factorization is more efficient for DPPMAP inference. This paper presents how to combine the ideas of "lazy" and "fast", which have been considered incompatible in the literature. Our lazy and fast greedy algorithm achieves almost the same time complexity as the current best one and runs faster in practice. The idea of "lazy + fast" is extendable to other greedy-type algorithms. We also give a fast version of the double greedy algorithm for unconstrained DPP MAP inference.

Diffusion models are recent state-of-the-art methods for image generation and likelihood estimation. In this work, we generalize continuous-time diffusion models to arbitrary Riemannian manifolds and derive a variational framework for likelihood estimation. Computationally, we propose new methods for computing the Riemannian divergence which is needed for likelihood estimation. Moreover, in generalizing the Euclidean case, we prove that maximizing this variational lowerbound is equivalent to Riemannian score matching. Empirically, we demonstrate the expressive power of Riemannian diffusion models on a wide spectrum of smooth manifolds, such as spheres, tori, hyperboloids, and orthogonal groups. Our proposed method achieves new state-of-the-art likelihoods on all benchmarks.

Diffusion models are recent state-of-the-art methods for image generation and likelihood estimation. In this work, we generalize continuous-time diffusion models to arbitrary Riemannian manifolds and derive a variational framework for likelihood estimation. Computationally, we propose new methods for computing the Riemannian divergence which is needed for likelihood estimation. Moreover, in generalizing the Euclidean case, we prove that maximizing this variational lowerbound is equivalent to Riemannian score matching. Empirically, we demonstrate the expressive power of Riemannian diffusion models on a wide spectrum of smooth manifolds, such as spheres, tori, hyperboloids, and orthogonal groups. Our proposed method achieves new state-of-the-art likelihoods on all benchmarks.

Graph neural networks (GNNs) have limited expressive power, failing to represent many graph classes correctly. While more expressive graph representation learning (GRL) alternatives can distinguish some of these classes, they are significantly harder to implement, may not scale well, and have not been shown to outperform well-tuned GNNs in real-world tasks. Thus, devising simple, scalable, and expressive GRL architectures that also achieve real-world improvements remains an open challenge.