Causal discovery can be computationally demanding for large numbers of variables. If we only wish to estimate the causal effects on a small subset of target variables, we might not need to learn the causal graph for all variables, but only a small subgraph that includes the targets and their adjustment sets. In this paper, we focus on identifying causal effects between target variables in a computationally and statistically efficient way. This task combines causal discovery and effect estimation, aligning the discovery objective with the effects to be estimated. We show that definite non-ancestors of the targets are unnecessary to learn causal relations between the targets and to identify efficient adjustments sets. We sequentially identify and prune these definite non-ancestors with our Sequential Non-Ancestor Pruning (SNAP) framework, which can be used either as a preprocessing step to standard causal discovery methods, or as a standalone sound and complete causal discovery algorithm. Our results on synthetic and real data show that both approaches substantially reduce the number of independence tests and the computation time without compromising the quality of causal effect estimations.

As Graph Neural Networks (GNNs) become increasingly popular for learning from large-scale graph data across various domains, their susceptibility to adversarial attacks when using graph reduction techniques for scalability remains underexplored. In this paper, we present an extensive empirical study to investigate the impact of graph reduction techniques, specifically graph coarsening and sparsification, on the robustness of GNNs against adversarial attacks. Through extensive experiments involving multiple datasets and GNN architectures, we examine the effects of four sparsification and six coarsening methods on the poisoning attacks. Our results indicate that, while graph sparsification can mitigate the effectiveness of certain poisoning attacks, such as Mettack, it has limited impact on others, like PGD. Conversely, graph coarsening tends to amplify the adversarial impact, significantly reducing classification accuracy as the reduction ratio decreases. Additionally, we provide a novel analysis of the causes driving these effects and examine how defensive GNN models perform under graph reduction, offering practical insights for designing robust GNNs within graph acceleration systems.

We propose AGS-GNN, a novel attribute-guided sampling algorithm for Graph Neural Networks (GNNs) that exploits node features and connectivity structure of a graph while simultaneously adapting for both homophily and heterophily in graphs. (In homophilic graphs vertices of the same class are more likely to be connected, and vertices of different classes tend to be linked in heterophilic graphs.) While GNNs have been successfully applied to homophilic graphs, their application to heterophilic graphs remains challenging. The best-performing GNNs for heterophilic graphs do not fit the sampling paradigm, suffer high computational costs, and are not inductive. We employ samplers based on feature-similarity and feature-diversity to select subsets of neighbors for a node, and adaptively capture information from homophilic and heterophilic neighborhoods using dual channels. Currently, AGS-GNN is the only algorithm that we know of that explicitly controls homophily in the sampled subgraph through similar and diverse neighborhood samples. For diverse neighborhood sampling, we employ submodularity, which was not used in this context prior to our work. The sampling distribution is pre-computed and highly parallel, achieving the desired scalability. Using an extensive dataset consisting of 35 small ($\le$ 100K nodes) and large (>100K nodes) homophilic and heterophilic graphs, we demonstrate the superiority of AGS-GNN compare to the current approaches in the literature. AGS-GNN achieves comparable test accuracy to the best-performing heterophilic GNNs, even outperforming methods using the entire graph for node classification. AGS-GNN also converges faster compared to methods that sample neighborhoods randomly, and can be incorporated into existing GNN models that employ node or graph sampling.

Optimal transport is a fundamental topic that has attracted a great amount of attention from the optimization community in the past decades. In this paper, we consider an interesting discrete dynamic optimal transport problem: can we efficiently update the optimal transport plan when the weights or the locations of the data points change? This problem is naturally motivated by several applications in machine learning. For example, we often need to compute the optimal transport cost between two different data sets; if some changes happen to a few data points, should we re-compute the high complexity cost function or update the cost by some efficient dynamic data structure? We are aware that several dynamic maximum flow algorithms have been proposed before, however, the research on dynamic minimum cost flow problem is still quite limited, to the best of our knowledge. We propose a novel 2D Skip Orthogonal List together with some dynamic tree techniques. Although our algorithm is based on the conventional simplex method, it can efficiently find the variable to pivot within expected $O(1)$ time, and complete each pivoting operation within expected $O(|V|)$ time where $V$ is the set of all supply and demand nodes. Since dynamic modifications typically do not introduce significant changes, our algorithm requires only a few simplex iterations in practice. So our algorithm is more efficient than re-computing the optimal transport cost that needs at least one traversal over all $|E| = O(|V|^2)$ variables, where $|E|$ denotes the number of edges in the network. Our experiments demonstrate that our algorithm significantly outperforms existing algorithms in the dynamic scenarios.

Network-based analyses of dynamical systems have become increasingly popular in climate science. Here we address network construction from a statistical perspective and highlight the often ignored fact that the calculated correlation values are only empirical estimates. To measure spurious behaviour as deviation from a ground truth network, we simulate time-dependent isotropic random fields on the sphere and apply common network construction techniques. We find several ways in which the uncertainty stemming from the estimation procedure has major impact on network characteristics. When the data has locally coherent correlation structure, spurious link bundle teleconnections and spurious high-degree clusters have to be expected. Anisotropic estimation variance can also induce severe biases into empirical networks. We validate our findings with ERA5 reanalysis data. Moreover we explain why commonly applied resampling procedures are inappropriate for significance evaluation and propose a statistically more meaningful ensemble construction framework. By communicating which difficulties arise in estimation from scarce data and by presenting which design decisions increase robustness, we hope to contribute to more reliable climate network construction in the future.

Bayesian Networks (BNs) represent conditional probability relations among a set of random variables (nodes) in the form of a directed acyclic graph (DAG), and have found diverse applications in knowledge discovery. We study the problem of learning the sparse DAG structure of a BN from continuous observational data. The central problem can be modeled as a mixed-integer program with an objective function composed of a convex quadratic loss function and a regularization penalty subject to linear constraints. The optimal solution to this mathematical program is known to have desirable statistical properties under certain conditions. However, the state-of-the-art optimization solvers are not able to obtain provably optimal solutions to the existing mathematical formulations for medium-size problems within reasonable computational times. To address this difficulty, we tackle the problem from both computational and statistical perspectives. On the one hand, we propose a concrete early stopping criterion to terminate the branch-and-bound process in order to obtain a near-optimal solution to the mixed-integer program, and establish the consistency of this approximate solution. On the other hand, we improve the existing formulations by replacing the linear "big-$M$" constraints that represent the relationship between the continuous and binary indicator variables with second-order conic constraints. Our numerical results demonstrate the effectiveness of the proposed approaches.

Learning directed acyclic graphs (DAGs) from data is a challenging task both in theory and in practice, because the number of possible DAGs scales superexponentially with the number of nodes. In this paper, we study the problem of learning an optimal DAG from continuous observational data. We cast this problem in the form of a mathematical programming model which can naturally incorporate a super-structure in order to reduce the set of possible candidate DAGs. We use the penalized negative log-likelihood score function with both $\ell_0$ and $\ell_1$ regularizations and propose a new mixed-integer quadratic optimization (MIQO) model, referred to as a layered network (LN) formulation. The LN formulation is a compact model, which enjoys as tight an optimal continuous relaxation value as the stronger but larger formulations under a mild condition. Computational results indicate that the proposed formulation outperforms existing mathematical formulations and scales better than available algorithms that can solve the same problem with only $\ell_1$ regularization. In particular, the LN formulation clearly outperforms existing methods in terms of computational time needed to find an optimal DAG in the presence of a sparse super-structure.