Gaussian Mixture Models Based Augmentation Enhances GNN Generalization

Graph Neural Networks (GNNs) have shown great promise in tasks like node and graph classification, but they often struggle to generalize, particularly to unseen or out-of-distribution (OOD) data. These challenges are exacerbated when training data is limited in size or diversity. To address these issues, we introduce a theoretical framework using Rademacher complexity to compute a regret bound on the generalization error and then characterize the effect of data augmentation. This framework informs the design of GMM-GDA, an efficient graph data augmentation (GDA) algorithm leveraging the capability of Gaussian Mixture Models (GMMs) to approximate any distribution. Our approach not only outperforms existing augmentation techniques in terms of generalization but also offers improved time complexity, making it highly suitable for real-world applications.

Don't overfit the history -- Recursive time series data augmentation

Time series observations can be seen as realizations of an underlying dynamical system governed by rules that we typically do not know. For time series learning tasks, we need to understand that we fit our model on available data, which is a unique realized history. Training on a single realization often induces severe overfitting lacking generalization. To address this issue, we introduce a general recursive framework for time series augmentation, which we call Recursive Interpolation Method, denoted as RIM. New samples are generated using a recursive interpolation function of all previous values in such a way that the enhanced samples preserve the original inherent time series dynamics. We perform theoretical analysis to characterize the proposed RIM and to guarantee its test performance. We apply RIM to diverse real world time series cases to achieve strong performance over non-augmented data on regression, classification, and reinforcement learning tasks.

A Deep Reinforcement Learning Framework For Column Generation

Column Generation (CG) is an iterative algorithm for solving linear programs (LPs) with an extremely large number of variables (columns). CG is the workhorse for tackling large-scale integer linear programs, which rely on CG to solve LP relaxations within a branch and bound algorithm. Two canonical applications are the Cutting Stock Problem (CSP) and Vehicle Routing Problem with Time Windows (VRPTW). In VRPTW, for example, each binary variable represents the decision to include or exclude a route, of which there are exponentially many; CG incrementally grows the subset of columns being used, ultimately converging to an optimal solution. We propose RLCG, the first Reinforcement Learning (RL) approach for CG. Unlike typical column selection rules which myopically select a column based on local information at each iteration, we treat CG as a sequential decision-making problem, as the column selected in an iteration affects subsequent iterations of the algorithm. This perspective lends itself to a Deep Reinforcement Learning approach that uses Graph Neural Networks (GNNs) to represent the variable-constraint structure in the LP of interest. We perform an extensive set of experiments using the publicly available BPPLIB benchmark for CSP and Solomon benchmark for VRPTW. RLCG converges faster and reduces the number of CG iterations by 22.4% for CSP and 40.9% for VRPTW on average compared to a commonly used greedy policy.