Machine Learning (ML) optimization frameworks have gained attention for their ability to accelerate the optimization of large-scale Quadratically Constrained Quadratic Programs (QCQPs) by learning shared problem structures. However, existing ML frameworks often rely heavily on strong problem assumptions and large-scale solvers. This paper introduces NeuralQP, a general hypergraph-based framework for large-scale QCQPs. NeuralQP features two main components: Hypergraph-based Neural Prediction, which generates embeddings and predicted solutions for QCQPs without problem assumptions, and Parallel Neighborhood Optimization, which employs a McCormick relaxation-based repair strategy to identify and correct illegal variables, iteratively improving the solution with a small-scale solver. We further prove that our framework UniEGNN with our hypergraph representation is equivalent to the Interior-Point Method (IPM) for quadratic programming. Experiments on two benchmark problems and large-scale real-world instances from QPLIB demonstrate that NeuralQP outperforms state-of-the-art solvers (e.g., Gurobi and SCIP) in both solution quality and time efficiency, further validating the efficiency of ML optimization frameworks for QCQPs.
Machine Learning (ML) optimization frameworks have gained attention for their ability to accelerate the optimization of large-scale Quadratically Constrained Quadratic Programs (QCQPs) by learning shared problem structures. However, existing ML frameworks often rely heavily on strong problem assumptions and large-scale solvers. This paper introduces NeuralQP, a general hypergraph-based framework for large-scale QCQPs. NeuralQP features two main components: Hypergraph-based Neural Prediction, which generates embeddings and predicted solutions for QCQPs without problem assumptions, and Parallel Neighborhood Optimization, which employs a McCormick relaxation-based repair strategy to identify and correct illegal variables, iteratively improving the solution with a small-scale solver. We further prove that our framework UniEGNN with our hypergraph representation is equivalent to the Interior-Point Method (IPM) for quadratic programming. Experiments on two benchmark problems and large-scale real-world instances from QPLIB demonstrate that NeuralQP outperforms state-of-the-art solvers (e.g., Gurobi and SCIP) in both solution quality and time efficiency, further validating the efficiency of ML optimization frameworks for QCQPs.
Machine learning-based optimization frameworks have attracted increasing attention for accelerating the solution of large-scale quadratically constrained quadratic programs (QCQPs) by exploiting shared problem structure across instances. However, existing machine learning (ML) frameworks often rely on the assumption of parametric models and large-scale solvers. This article introduces HEQP, a hypergraph neural network-based evolutionary optimization framework for large-scale QCQPs. This framework features two main components: 1) hypergraph-based neural prediction, which predicts optimal solutions for QCQPs without assumptions of models; and 2) evolutionary large neighborhood search (Evo-LNS), which employs a McCormick relaxation-based repair strategy to search and apply crossover on neighborhood solutions using a small-scale solver. We further show that our framework is equivalent to the interior-point method (IPM), a polynomial-time algorithm, for quadratic programming. Experiments on two types of benchmark problems and 13 large-scale real-world instances from the QPLIB illustrate that our framework outperforms state-of-the-art solvers (including Gurobi, SCIP, and SHOT) in both solution quality and time efficiency, highlighting the efficiency of ML-based optimization frameworks for QCQPs.
Convex quadratically constrained quadratic programs (QCQPs) involve finding a solution within a convex feasible region defined by quadratic constraints while minimizing a convex quadratic objective function. These problems arise in various industrial applications, including power systems and signal processing. Traditional methods for solving convex QCQPs primarily rely on matrix factorization, which quickly becomes computationally prohibitive as the problem size increases. Recently, graph neural networks (GNNs) have gained attention for their potential in representing and solving various optimization problems such as linear programs and linearly constrained quadratic programs. In this work, we investigate the representation power of GNNs in the context of QCQP tasks. Specifically, we propose a new tripartite graph representation for general convex QCQPs and properly associate it with message-passing GNNs. We demonstrate that there exist GNNs capable of reliably representing key properties of convex QCQPs, including feasibility, optimal value, and optimal solution. Our result deepens the understanding of the connection between QCQPs and GNNs, paving the way for future machine learning approaches to efficiently solve QCQPs.
Mixed Binary Quadratic Programs (MBQPs) are an important and complex set of problems in combinatorial optimization. As solving large-scale combinatorial optimization problems is challenging, primal heuristics have been developed to quickly identify high-quality solutions within a short amount of time. Recently, a growing body of research has also used machine learning to accelerate solution methods for challenging combinatorial optimization problems. Despite the increasing popularity of these ML-guided methods, a large body of work has focused on Mixed-Integer Linear Programs (MILPs). MBQPs are challenging to solve due to the combinatorial complexity coupled with nonlinearities. This work proposes ML-guided primal heuristics for Mixed Binary Quadratic Programs (MBQPs) by adapting and extending existing work on ML-guided MILP solution prediction to MBQPs. We introduce a new neural network architecture for MBQP solution prediction and a new training data collection procedure. Moreover, we extend existing loss functions in solution prediction and propose to combine contrastive and weighted cross-entropy losses. We evaluate the methods on standard and real-world MBQP benchmarks and show that the developed ML-guided methods significantly outperform existing primal heuristics and state-of-the-art solvers. Furthermore, models trained with our proposed extension with combined losses outperform other ML-based methods adapted from MILPs and improve generalization in cross-regional inference on a real-world wind farm layout optimization problem.
Binary (0-1) integer programming (BIP) is pivotal in scientific domains requiring discrete decision-making. As the advance of AI computing, recent works explore neural network-based solvers for integer linear programming (ILP) problems. Yet, they lack scalability for tackling nonlinear challenges. To handle nonlinearities, state-of-the-art Branch-and-Cut solvers employ linear relaxations, leading to exponential growth in auxiliary variables and severe computation limitations. To overcome these limitations, we propose BIPNN (Binary Integer Programming Neural Network), an unsupervised learning framework to solve nonlinear BIP problems via hypergraph neural networks (HyperGNN). Specifically, BIPNN reformulates BIPs-constrained, discrete, and nonlinear (sin, log, exp) optimization problems-into unconstrained, differentiable, and polynomial loss functions. The reformulation stems from the observation of a precise one-to-one mapping between polynomial BIP objectives and hypergraph structures, enabling the unsupervised training of HyperGNN to optimize BIP problems in an end-to-end manner. On this basis, we propose a GPU-accelerated and continuous-annealing-enhanced training pipeline for BIPNN. The pipeline enables BIPNN to optimize large-scale nonlinear terms in BIPs fully in parallel via straightforward gradient descent, thus significantly reducing the training cost while ensuring the generation of discrete, high-quality solutions. Extensive experiments on synthetic and real-world datasets highlight the superiority of our approach.
Along with AI computing shining in scientific discovery, its potential in the combinatorial optimization (CO) domain has also emerged in recent years. Yet, existing unsupervised neural network solvers struggle to solve k-grouping problems (e.g., coloring, partitioning) on large-scale graphs and hypergraphs, due to limited computational frameworks. In this work, we propose Deep k-grouping, an unsupervised learning-based CO framework. Specifically, we contribute: Novel one-hot encoded polynomial unconstrained binary optimization (OH-PUBO), a formulation for modeling k-grouping problems on graphs and hypergraphs (e.g., graph/hypergraph coloring and partitioning); GPU-accelerated algorithms for large-scale k-grouping CO problems. Deep k-grouping employs the relaxation of large-scale OH-PUBO objectives as differentiable loss functions and trains to optimize them in an unsupervised manner. To ensure scalability, it leverages GPU-accelerated algorithms to unify the training pipeline; A Gini coefficient-based continuous relaxation annealing strategy to enforce discreteness of solutions while preventing convergence to local optima. Experimental results demonstrate that Deep k-grouping outperforms existing neural network solvers and classical heuristics such as SCIP and Tabu.
We propose FlexQP, an always-feasible convex quadratic programming (QP) solver based on an ℓ1 elastic relaxation of the QP constraints. If the original constraints are feasible, FlexQP provably recovers the optimal solution. If the constraints are infeasible, FlexQP identifies a solution that minimizes the constraint violation while keeping the number of violated constraints sparse. Such infeasibilities arise naturally in sequential quadratic programming (SQP) subproblems due to the linearization of the constraints. We prove the convergence of FlexQP under mild coercivity assumptions, making it robust to both feasible and infeasible QPs. We then apply deep unfolding to learn LSTM-based, dimension-agnostic feedback policies for the algorithm parameters, yielding an accelerated Deep FlexQP. To preserve the exactness guarantees of the relaxation, we propose a normalized training loss that incorporates the Lagrange multipliers. We additionally design a log-scaled loss for PAC-Bayes generalization bounds that yields substantially tighter performance certificates, which we use to construct an accelerated SQP solver with guaranteed QP subproblem performance. Deep FlexQP outperforms state-of-the-art learned QP solvers on a suite of benchmarks including portfolio optimization, classification, and regression problems, and scales to dense QPs with over 10k variables and constraints via fine-tuning. When deployed within SQP, our approach solves nonlinear trajectory optimization problems 4-16x faster than SQP with OSQP while substantially improving success rates. On predictive safety filter problems, Deep FlexQP reduces safety violations by over 70\% and increases task completion by 43\% compared to existing methods.