The explainability of Graph Neural Networks (GNNs) is critical to various GNN applications, yet it remains a significant challenge. A convincing explanation should be both necessary and sufficient simultaneously. However, existing GNN explaining approaches focus on only one of the two aspects, necessity or sufficiency, or a heuristic trade-off between the two. Theoretically, the Probability of Necessity and Sufficiency (PNS) holds the potential to identify the most necessary and sufficient explanation since it can mathematically quantify the necessity and sufficiency of an explanation. Nevertheless, the difficulty of obtaining PNS due to non-monotonicity and the challenge of counterfactual estimation limit its wide use. To address the non-identifiability of PNS, we resort to a lower bound of PNS that can be optimized via counterfactual estimation, and propose a framework of Necessary and Sufficient Explanation for GNN (NSEG) via optimizing that lower bound. Specifically, we depict the GNN as a structural causal model (SCM), and estimate the probability of counterfactual via the intervention under the SCM. Additionally, we leverage continuous masks with a sampling strategy to optimize the lower bound to enhance the scalability. Empirical results demonstrate that NSEG outperforms state-of-the-art methods, consistently generating the most necessary and sufficient explanations.

Bayesian optimization (BO) has emerged as a potent tool for addressing intricate decision-making challenges, especially in public policy domains such as police districting. However, its broader application in public policymaking is hindered by the complexity of defining feasible regions and the high-dimensionality of decisions. This paper introduces the Hidden-Constrained Latent Space Bayesian Optimization (HC-LSBO), a novel BO method integrated with a latent decision model. This approach leverages a variational autoencoder to learn the distribution of feasible decisions, enabling a two-way mapping between the original decision space and a lower-dimensional latent space. By doing so, HC-LSBO captures the nuances of hidden constraints inherent in public policymaking, allowing for optimization in the latent space while evaluating objectives in the original space. We validate our method through numerical experiments on both synthetic and real data sets, with a specific focus on large-scale police districting problems in Atlanta, Georgia. Our results reveal that HC-LSBO offers notable improvements in performance and efficiency compared to the baselines.

In the field of algorithmic fairness, significant attention has been put on group fairness criteria, such as Demographic Parity and Equalized Odds. Nevertheless, these objectives, measured as global averages, have raised concerns about persistent local disparities between sensitive groups. In this work, we address the problem of local fairness, which ensures that the predictor is unbiased not only in terms of expectations over the whole population, but also within any subregion of the feature space, unknown at training time. To enforce this objective, we introduce ROAD, a novel approach that leverages the Distributionally Robust Optimization (DRO) framework within a fair adversarial learning objective, where an adversary tries to infer the sensitive attribute from the predictions. Using an instance-level re-weighting strategy, ROAD is designed to prioritize inputs that are likely to be locally unfair, i.e. where the adversary faces the least difficulty in reconstructing the sensitive attribute. Numerical experiments demonstrate the effectiveness of our method: it achieves Pareto dominance with respect to local fairness and accuracy for a given global fairness level across three standard datasets, and also enhances fairness generalization under distribution shift.

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 mass-preserving 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.

Autoscaling is a vital mechanism in cloud computing that supports the autonomous adjustment of computing resources under dynamic workloads. A primary goal of autoscaling is to stabilize resource utilization at a desirable level, thus reconciling the need for resource-saving with the satisfaction of Service Level Objectives (SLOs). Existing proactive autoscaling methods anticipate the future workload and scale the resources in advance, whereas the reliability may suffer from prediction deviations arising from the frequent fluctuations and noise of cloud workloads; reactive methods rely on real-time system feedback, while the hysteretic nature of reactive methods could cause violations of the rigorous SLOs. To this end, this paper presents OptScaler, a hybrid autoscaling framework that integrates the power of both proactive and reactive methods for regulating CPU utilization. Specifically, the proactive module of OptScaler consists of a sophisticated workload prediction model and an optimization model, where the former provides reliable inputs to the latter for making optimal scaling decisions. The reactive module provides a self-tuning estimator of CPU utilization to the optimization model. We embed Model Predictive Control (MPC) mechanism and robust optimization techniques into the optimization model to further enhance its reliability. Numerical results have demonstrated the superiority of both the workload prediction model and the hybrid framework of OptScaler in the scenario of online services compared to prevalent reactive, proactive, or hybrid autoscalers. OptScaler has been successfully deployed at Alipay, supporting the autoscaling of applets in the world-leading payment platform.

Combinatorial optimization problems can be solved by heuristic algorithms such as simulated annealing (SA) which aims to find the optimal solution within a large search space through thermal fluctuations. The algorithm generates new solutions through Markov-chain Monte Carlo techniques. This sampling scheme can result in severe limitations, such as slow convergence and a tendency to stay within the same local search space at small temperatures. To overcome these shortcomings, we use the variational classical annealing (VCA) framework [1] that combines autoregressive recurrent neural networks (RNNs) with traditional annealing to sample solutions that are uncorrelated. In this paper, we demonstrate the potential of using VCA as an approach to solving real-world optimization problems. We explore VCA's performance in comparison with SA at solving three popular optimization problems: the maximum cut problem (Max-Cut), the nurse scheduling problem (NSP), and the traveling salesman problem (TSP). For all three problems, we find that VCA outperforms SA on average in the asymptotic limit by one or more orders of magnitude in terms of relative error. Interestingly, we reach large system sizes of up to 256 cities for the TSP. We also conclude that in the best case scenario, VCA can serve as a great alternative when SA fails to find the optimal solution.

Recently, soft actuator-based exosuits have gained interest, due to their high strength-to-weight ratio, inherent safety, and low cost. We present a novel wrist exosuit actuated by fabric pneumatic artificial muscles that can move the wrist in flexion/extension and ulnar/radial deviation. We derive a model representing the torque exerted by the exosuit and introduce a model-based optimization methodology for the selection of placement parameters of the exosuit muscles. We evaluate the accuracy of the model by measuring the exosuit torques throughout the full range of wrist flexion/extension. When accounting for the displacement of the mounting points, the model predicts the exosuit torque with a mean absolute error of 0.279 Nm, which is 26.1% of the average measured torque. To explore the capabilities of the exosuit to move the human body, we measure its range of motion on a passive human wrist; the exosuit is able to achieve 55.0% of the active biological range in flexion, 69.1% in extension, 68.6% in ulnar deviation, and 68.4% in radial deviation. Finally, we demonstrate the device controlling the passive human wrist to move to a desired orientation in the flexion/extension plane and along a two-degree-of-freedom trajectory.

Fine-tuning pretrained language models (PLMs) for downstream tasks is a large-scale optimization problem, in which the choice of the training algorithm critically determines how well the trained model can generalize to unseen test data, especially in the context of few-shot learning. To achieve good generalization performance and avoid overfitting, techniques such as data augmentation and pruning are often applied. However, adding these regularizations necessitates heavy tuning of the hyperparameters of optimization algorithms, such as the popular Adam optimizer. In this paper, we propose a two-stage fine-tuning method, PAC-tuning, to address this optimization challenge. First, based on PAC-Bayes training, PAC-tuning directly minimizes the PAC-Bayes generalization bound to learn proper parameter distribution. Second, PAC-tuning modifies the gradient by injecting noise with the variance learned in the first stage into the model parameters during training, resulting in a variant of perturbed gradient descent (PGD). In the past, the few-shot scenario posed difficulties for PAC-Bayes training because the PAC-Bayes bound, when applied to large models with limited training data, might not be stringent. Our experimental results across 5 GLUE benchmark tasks demonstrate that PAC-tuning successfully handles the challenges of fine-tuning tasks and outperforms strong baseline methods by a visible margin, further confirming the potential to apply PAC training for any other settings where the Adam optimizer is currently used for training.

When multiple self-adaptive systems share the same environment and have common goals, they may coordinate their adaptations at runtime to avoid conflicts and to satisfy their goals. There are two approaches to coordination. (1) Logically centralized, where a supervisor has complete control over the individual self-adaptive systems. Such approach is infeasible when the systems have different owners or administrative domains. (2) Logically decentralized, where coordination is achieved through direct interactions. Because the individual systems have control over the information they share, decentralized coordination accommodates multiple administrative domains. However, existing techniques do not account simultaneously for both local concerns, e.g., preferences, and shared concerns, e.g., conflicts, which may lead to goals not being achieved as expected. Our idea to address this shortcoming is to express both types of concerns within the same constraint optimization problem. We propose CoADAPT, a decentralized coordination technique introducing two types of constraints: preference constraints, expressing local concerns, and consistency constraints, expressing shared concerns. At runtime, the problem is solved in a decentralized way using distributed constraint optimization algorithms implemented by each self-adaptive system. As a first step in realizing CoADAPT, we focus in this work on the coordination of adaptation planning strategies, traditionally addressed only with centralized techniques. We show the feasibility of CoADAPT in an exemplar from cloud computing and analyze experimentally its scalability.

Line search (or backtracking) procedures have been widely employed into first-order methods for solving convex optimization problems, especially those with unknown problem parameters (e.g., Lipschitz constant). In this paper, we show that line search is superfluous in attaining the optimal rate of convergence for solving a convex optimization problem whose parameters are not given a priori. In particular, we present a novel accelerated gradient descent type algorithm called auto-conditioned fast gradient method (AC-FGM) that can achieve an optimal $\mathcal{O}(1/k^2)$ rate of convergence for smooth convex optimization without requiring the estimate of a global Lipschitz constant or the employment of line search procedures. We then extend AC-FGM to solve convex optimization problems with H\"{o}lder continuous gradients and show that it automatically achieves the optimal rates of convergence uniformly for all problem classes with the desired accuracy of the solution as the only input. Finally, we report some encouraging numerical results that demonstrate the advantages of AC-FGM over the previously developed parameter-free methods for convex optimization.