Abstract--This paper studies optimization proxies--machine learning (ML) models trained to efficiently predict optimal solutions for AC Optimal Power Flow (ACOPF) problems. While promising, optimization proxy performance heavily depends on training data quality. T o address this limitation, this paper introduces a novel active sampling framework for ACOPF optimization proxies designed to generate realistic and diverse training data. The framework actively explores varied, flexible problem specifications reflecting plausible operational realities. More importantly, the approach uses optimization-specific quantities (active constraint sets) that better capture the salient features of an ACOPF that lead to the optimal solution. Numerical results show superior generalization over existing sampling methods with an equivalent training budget, significantly advancing the state-of-practice for trustworthy ACOPF optimization proxies.

Recent research has shown that optimization proxies can be trained to high fidelity, achieving average optimality gaps under 1% for large-scale problems. However, worst-case analyses show that there exist in-distribution queries that result in orders of magnitude higher optimality gap, making it difficult to trust the predictions in practice. This paper aims at striking a balance between classical solvers and optimization proxies in order to enable trustworthy deployments with interpretable speed-optimality tradeoffs based on a user-defined optimality threshold. To this end, the paper proposes a hybrid solver that leverages duality theory to efficiently bound the optimality gap of predictions, falling back to a classical solver for queries where optimality cannot be certified. To improve the achieved speedup of the hybrid solver, the paper proposes an alternative training procedure that combines the primal and dual proxy training. Experiments on large-scale transmission systems show that the hybrid solver is highly scalable. The proposed hybrid solver achieves speedups of over 1000x compared to a parallelized simplex-based solver while guaranteeing a maximum optimality gap of 2%.

Optimization proxies - machine learning models trained to approximate the solution mapping of parametric optimization problems in a single forward pass - offer dramatic reductions in inference time compared to traditional iterative solvers. This work investigates the integration of solver sensitivities into such end to end proxies via a Sobolev training paradigm and does so in two distinct settings: (i) fully supervised proxies, where exact solver outputs and sensitivities are available, and (ii) self supervised proxies that rely only on the objective and constraint structure of the underlying optimization problem. By augmenting the standard training loss with directional derivative information extracted from the solver, the proxy aligns both its predicted solutions and local derivatives with those of the optimizer. Under Lipschitz continuity assumptions on the true solution mapping, matching first order sensitivities is shown to yield uniform approximation error proportional to the training set covering radius. Empirically, different impacts are observed in each studied setting. On three large Alternating Current Optimal Power Flow benchmarks, supervised Sobolev training cuts mean squared error by up to 56 percent and the median worst case constraint violation by up to 400 percent while keeping the optimality gap below 0.22 percent. For a mean variance portfolio task trained without labeled solutions, self supervised Sobolev training halves the average optimality gap in the medium risk region (standard deviation above 10 percent of budget) and matches the baseline elsewhere. Together, these results highlight Sobolev training whether supervised or self supervised as a path to fast reliable surrogates for safety critical large scale optimization workloads.

The nonlinear, non-convex AC Optimal Power Flow (AC-OPF) problem is fundamental for power systems operations. The intrinsic complexity of AC-OPF has fueled a growing interest in the development of optimization proxies for the problem, i.e., machine learning models that predict high-quality, close-to-optimal solutions. More recently, dual conic proxy architectures have been proposed, which combine machine learning and convex relaxations of AC-OPF, to provide valid certificates of optimality using learning-based methods. Building on this methodology, this paper proposes, for the first time, a dual conic proxy architecture for the semidefinite (SDP) relaxation of AC-OPF problems. Although the SDP relaxation is stronger than the second-order cone relaxation considered in previous work, its practical use has been hindered by its computational cost. The proposed method combines a neural network with a differentiable dual completion strategy that leverages the structure of the dual SDP problem. This approach guarantees dual feasibility, and therefore valid dual bounds, while providing orders of magnitude of speedups compared to interior-point algorithms. The paper also leverages self-supervised learning, which alleviates the need for time-consuming data generation and allows to train the proposed models efficiently. Numerical experiments are presented on several power grid benchmarks with up to 500 buses. The results demonstrate that the proposed SDP-based proxies can outperform weaker conic relaxations, while providing several orders of magnitude speedups compared to a state-of-the-art interior-point SDP solver.

The increased integration of clean yet stochastic energy resources and the growing number of extreme weather events are narrowing the decision-making window of power grid operators. This time constraint is fueling a plethora of research on Machine Learning-, or ML-, based optimization proxies. While finding a fast solution is appealing, the inherent vulnerabilities of the learning-based methods are hindering their adoption. One of these vulnerabilities is data poisoning attacks, which adds perturbations to ML training data, leading to incorrect decisions. The impact of poisoning attacks on learning-based power system optimizers have not been thoroughly studied, which creates a critical vulnerability. In this paper, we examine the impact of data poisoning attacks on ML-based optimization proxies that are used to solve the DC Optimal Power Flow problem. Specifically, we compare the resilience of three different methods-a penalty-based method, a post-repair approach, and a direct mapping approach-against the adverse effects of poisoning attacks. We will use the optimality and feasibility of these proxies as performance metrics. The insights of this work will establish a foundation for enhancing the resilience of neural power system optimizers.

This article introduces the concept of optimization learning, a methodology to design optimization proxies that learn the input/output mapping of parametric optimization problems. These optimization proxies are trustworthy by design: they compute feasible solutions to the underlying optimization problems, provide quality guarantees on the returned solutions, and scale to large instances. Optimization proxies are differentiable programs that combine traditional deep learning technology with repair or completion layers to produce feasible solutions. The article shows that optimization proxies can be trained end-to-end in a self-supervised way. It presents methodologies to provide performance guarantees and to scale optimization proxies to large-scale optimization problems. The potential of optimization proxies is highlighted through applications in power systems and, in particular, real-time risk assessment and security-constrained optimal power flow.

Constrained optimization problems arise in various engineering system operations such as inventory management and electric power grids. However, the requirement to repeatedly solve such optimization problems with uncertain parameters poses a significant computational challenge. This work introduces a learning scheme using Bayesian Neural Networks (BNNs) to solve constrained optimization problems under limited labeled data and restricted model training times. We propose a semi-supervised BNN for this practical but complex regime, wherein training commences in a sandwiched fashion, alternating between a supervised learning step (using labeled data) for minimizing cost, and an unsupervised learning step (using unlabeled data) for enforcing constraint feasibility. Both supervised and unsupervised steps use a Bayesian approach, where Stochastic Variational Inference is employed for approximate Bayesian inference. We show that the proposed semi-supervised learning method outperforms conventional BNN and deep neural network (DNN) architectures on important non-convex constrained optimization problems from energy network operations, achieving up to a tenfold reduction in expected maximum equality gap and halving the optimality and inequality (feasibility) gaps, without requiring any correction or projection step. By leveraging the BNN's ability to provide posterior samples at minimal computational cost, we demonstrate that a Selection via Posterior (SvP) scheme can further reduce equality gaps by more than 10%. We also provide tight and practically meaningful probabilistic confidence bounds that can be constructed using a low number of labeled testing data and readily adapted to other applications.

The Predict-Then-Optimize framework uses machine learning models to predict unknown parameters of an optimization problem from exogenous features before solving. This setting is common to many real-world decision processes, and recently it has been shown that decision quality can be substantially improved by solving and differentiating the optimization problem within an end-to-end training loop. However, this approach requires significant computational effort in addition to handcrafted, problem-specific rules for backpropagation through the optimization step, challenging its applicability to a broad class of optimization problems. This paper proposes an alternative method, in which optimal solutions are learned directly from the observable features by joint predictive models. The approach is generic, and based on an adaptation of the Learning-to-Optimize paradigm, from which a rich variety of existing techniques can be employed. Experimental evaluations show the ability of several Learning-to-Optimize methods to provide efficient and accurate solutions to an array of challenging Predict-Then-Optimize problems.

Recent years have witnessed increasing interest in optimization proxies, i.e., machine learning models that approximate the input-output mapping of parametric optimization problems and return near-optimal feasible solutions. Following recent work by (Nellikkath & Chatzivasileiadis, 2021), this paper reconsiders the optimality verification problem for optimization proxies, i.e., the determination of the worst-case optimality gap over the instance distribution. The paper proposes a compact formulation for optimality verification and a gradient-based primal heuristic that brings substantial computational benefits to the original formulation. The compact formulation is also more general and applies to non-convex optimization problems. The benefits of the compact formulation are demonstrated on large-scale DC Optimal Power Flow and knapsack problems.

Optimal Power Flow (OPF) is a valuable tool for power system operators, but it is a difficult problem to solve for large systems. Machine Learning (ML) algorithms, especially Neural Networks-based (NN) optimization proxies, have emerged as a promising new tool for solving OPF, by estimating the OPF solution much faster than traditional methods. However, these ML algorithms act as black boxes, and it is hard to assess their worst-case performance across the entire range of possible inputs than an OPF can have. Previous work has proposed a mixed-integer programming-based methodology to quantify the worst-case violations caused by a NN trained to estimate the OPF solution, throughout the entire input domain. This approach, however, does not scale well to large power systems and more complex NN models. This paper addresses these issues by proposing a scalable algorithm to compute worst-case violations of NN proxies used for approximating large power systems within a reasonable time limit. This will help build trust in ML models to be deployed in large industry-scale power grids.