arXiv subjects

Kaixun Hua

Publications and source records attributed to Kaixun Hua.

15 recordsLinked to original sources

arXiv2026

Graph4BiLO: Graph Neural Network Approximation for Bilevel Mixed-Integer Linear Optimization

Bilevel mixed-integer linear optimization problems model hierarchical decision processes in which a leader anticipates the optimal response of a follower. Although expressive, these problems are computationally challenging because lower-level optimality is embedded in the leader's feasible region. Value-function reformulations replace the nested follower optimization with a constraint involving the follower's optimal value, but evaluating this value function exactly can itself be expensive. This paper introduces Graph4BiLO, a graph neural network (GNN) approach for learning bilevel value functions from variable--constraint graph representations. In contrast to fixed-length multilayer perceptron (MLP) representations, the GNN uses shared message-passing parameters and can therefore be applied across multiple problem sizes with a single trained model. The learned ReLU network is encoded exactly as mixed-integer linear constraints and embedded in an approximate single-level formulation. A repair step subsequently re-solves the follower problem for the selected leader decision to recover a bilevel-feasible follower response. We evaluate Graph4BiLO on knapsack interdiction instances with 20--100 items against the exact MibS solver and the learning-based Neur2BiLO method. Graph4BiLO obtains objective values comparable to Neur2BiLO across all tested sizes while avoiding size-specific neural networks. An additional out-of-distribution experiment demonstrates zero-shot transfer from 20-item training instances to previously unseen 40- and 60-item instances. However, embedding message passing at every graph node substantially increases the resulting mixed-integer formulation size and solve time. These results identify a central tradeoff between size-generalizable graph representations and the computational cost of embedding GNNs within optimization models.

cs.LG↗

arXiv2026

Which Directions Matter? Sparse Design for Affine Robust Optimization

Robust machine learning and optimization rely on the uncertainty model choice. We investigate which uncertainty directions a model must cover when defined by a finite dictionary and a budget constraint. Selecting a subset forms an atomic uncertainty set with a closed form support function, yielding tractable robust programs for affine objectives. We propose a data driven selection rule based on a coverage objective over evaluation directions, including gradients, adversarial perturbations, or shifts observed on held out data. We prove this objective is monotone and submodular, supporting a greedy method with a $(1-1/e)$ approximation guarantee and a matching hardness barrier. We also provide a certificate bounding the loss from the selected subset and a radius calibration rule with out of sample control.

cs.LG↗

arXiv2026

PASS: Certified Subset Repair for Classical and Quantum Pairwise Constrained Clustering

Pairwise-constrained clustering incorporates side information through must-link (ML) and cannot-link (CL) relations between samples. While these constraints can improve cluster quality, they complicate optimization at scale and limit quantum and hybrid approaches through the size of the encoded problem. PASS is a scalable framework for pairwise-constrained k-means that concentrates optimization on a small working subset while updating remaining assignments through re-centering. Cannot-link feasibility under subset-restricted updates is formalized as a list-coloring problem on the induced constraint subgraph, yielding a checkable repair certificate with verifiable outcomes. The same subset restriction produces reduced classical subproblems and smaller quantum formulations, enabling a reduction-based hybrid evaluation under a simulation protocol. Infeasible constraint sets are handled explicitly: the pipeline returns a verifiable repair under stated conditions or reports residual conflicts under the same evaluation protocol. Across diverse benchmarks, PASS attains competitive SSE with lower runtime and returns solutions on instances where strong baselines do not finish within a fixed time budget.

cs.LG↗

arXiv2026

A Global Optimization Algorithm for K-Center Clustering of One Billion Samples

This paper presents a practical global optimization algorithm for the K-center clustering problem, which aims to select K samples as the cluster centers to minimize the maximum within-cluster distance. This algorithm is based on a reduced-space branch and bound scheme and guarantees convergence to the global optimum in a finite number of steps by only branching on the regions of centers. To improve efficiency, we have designed a two-stage decomposable lower bound, the solution of which can be derived in a closed form. In addition, we also propose several acceleration techniques to narrow down the region of centers, including bounds tightening, sample reduction, and parallelization. Extensive studies on synthetic and real-world datasets have demonstrated that our algorithm can solve the K-center problems to global optimal within 4 hours for ten million samples in the serial mode and one billion samples in the parallel mode. Moreover, compared with the state-of-the-art heuristic methods, the global optimum obtained by our algorithm can averagely reduce the objective function by 25.8% on all the synthetic and real-world datasets.

math.OC↗

arXiv2025

Hardware-aware and Resource-efficient Circuit Packing and Scheduling on Trapped-Ion Quantum Computers

The rapid expansion of quantum cloud services has led to long job queues due to single-tenant execution models that underutilize hardware resources. Quantum multi-programming (QMP) mitigates this by executing multiple circuits in parallel on a single device, but existing methods target superconducting systems with limited connectivity, high crosstalk, and lower gate fidelity. Trapped-ion architectures, with all-to-all connectivity, long coherence times, and high-fidelity mid-circuit measurement properties, presents itself as a more suitable platform for scalable QMP. We present CircPack, a hardware-aware circuit packing framework designed for modular trapped-ion devices based on the Quantum Charge-Coupled Device (QCCD) architecture. CircPack formulates static circuit scheduling as a two-dimensional packing problem with hardware-specific shuttling constraints. Compared to superconducting-based QMP approaches, CircPack achieves up to 70.72% better fidelity, 62.67% higher utilization, and 32.80% improved layer reduction. This framework is also capable of scalable, balanced scheduling across a cluster of independent QCCD modules, highlighting trapped-ion systems' potential in improving the throughput of quantum cloud computing in the near future.

quant-ph↗

arXiv2025

qc-kmeans: A Quantum Compressive K-Means Algorithm for NISQ Devices

Clustering on NISQ hardware is constrained by data loading and limited qubits. We present \textbf{qc-kmeans}, a hybrid compressive $k$-means that summarizes a dataset with a constant-size Fourier-feature sketch and selects centroids by solving small per-group QUBOs with shallow QAOA circuits. The QFF sketch estimator is unbiased with mean-squared error $O(\varepsilon^2)$ for $B,S=Θ(\varepsilon^{-2})$, and the peak-qubit requirement $q_{\text{peak}}=\max\{D,\lceil \log_2 B\rceil + 1\}$ does not scale with the number of samples. A refinement step with elitist retention ensures non-increasing surrogate cost. In Qiskit Aer simulations (depth $p{=}1$), the method ran with $\le 9$ qubits on low-dimensional synthetic benchmarks and achieved competitive sum-of-squared errors relative to quantum baselines; runtimes are not directly comparable. On nine real datasets (up to $4.3\times 10^5$ points), the pipeline maintained constant peak-qubit usage in simulation. Under IBM noise models, accuracy was similar to the idealized setting. Overall, qc-kmeans offers a NISQ-oriented formulation with shallow, bounded-width circuits and competitive clustering quality in simulation.

quant-ph↗

arXiv2025

QIBONN: A Quantum-Inspired Bilevel Optimizer for Neural Networks on Tabular Classification

Hyperparameter optimization (HPO) for neural networks on tabular data is critical to a wide range of applications, yet it remains challenging due to large, non-convex search spaces and the cost of exhaustive tuning. We introduce the Quantum-Inspired Bilevel Optimizer for Neural Networks (QIBONN), a bilevel framework that encodes feature selection, architectural hyperparameters, and regularization in a unified qubit-based representation. By combining deterministic quantum-inspired rotations with stochastic qubit mutations guided by a global attractor, QIBONN balances exploration and exploitation under a fixed evaluation budget. We conduct systematic experiments under single-qubit bit-flip noise (0.1\%--1\%) emulated by an IBM-Q backend. Results on 13 real-world datasets indicate that QIBONN is competitive with established methods, including classical tree-based methods and both classical/quantum-inspired HPO algorithms under the same tuning budget.

cs.LG↗

arXiv2025

RS-ORT: A Reduced-Space Branch-and-Bound Algorithm for Optimal Regression Trees

Mixed-integer programming (MIP) has emerged as a powerful framework for learning optimal decision trees. Yet, existing MIP approaches for regression tasks are either limited to purely binary features or become computationally intractable when continuous, large-scale data are involved. Naively binarizing continuous features sacrifices global optimality and often yields needlessly deep trees. We recast the optimal regression-tree training as a two-stage optimization problem and propose Reduced-Space Optimal Regression Trees (RS-ORT) - a specialized branch-and-bound (BB) algorithm that branches exclusively on tree-structural variables. This design guarantees the algorithm's convergence and its independence from the number of training samples. Leveraging the model's structure, we introduce several bound tightening techniques - closed-form leaf prediction, empirical threshold discretization, and exact depth-1 subtree parsing - that combine with decomposable upper and lower bounding strategies to accelerate the training. The BB node-wise decomposition enables trivial parallel execution, further alleviating the computational intractability even for million-size datasets. Based on the empirical studies on several regression benchmarks containing both binary and continuous features, RS-ORT also delivers superior training and testing performance than state-of-the-art methods. Notably, on datasets with up to 2,000,000 samples with continuous features, RS-ORT can obtain guaranteed training performance with a simpler tree structure and a better generalization ability in four hours.

cs.LG↗

arXiv2025

A Scalable Global Optimization Algorithm For Constrained Clustering

Constrained clustering leverages limited domain knowledge to improve clustering performance and interpretability, but incorporating pairwise must-link and cannot-link constraints is an NP-hard challenge, making global optimization intractable. Existing mixed-integer optimization methods are confined to small-scale datasets, limiting their utility. We propose Sample-Driven Constrained Group-Based Branch-and-Bound (SDC-GBB), a decomposable branch-and-bound (BB) framework that collapses must-linked samples into centroid-based pseudo-samples and prunes cannot-link through geometric rules, while preserving convergence and guaranteeing global optimality. By integrating grouped-sample Lagrangian decomposition and geometric elimination rules for efficient lower and upper bounds, the algorithm attains highly scalable pairwise k-Means constrained clustering via parallelism. Experimental results show that our approach handles datasets with 200,000 samples with cannot-link constraints and 1,500,000 samples with must-link constraints, which is 200 - 1500 times larger than the current state-of-the-art under comparable constraint settings, while reaching an optimality gap of less than 3%. In providing deterministic global guarantees, our method also avoids the search failures that off-the-shelf heuristics often encounter on large datasets.

cs.LG↗

arXiv2025

SPOT: Scalable Policy Optimization with Trees for Markov Decision Processes

Interpretable reinforcement learning policies are essential for high-stakes decision-making, yet optimizing decision tree policies in Markov Decision Processes (MDPs) remains challenging. We propose SPOT, a novel method for computing decision tree policies, which formulates the optimization problem as a mixed-integer linear program (MILP). To enhance efficiency, we employ a reduced-space branch-and-bound approach that decouples the MDP dynamics from tree-structure constraints, enabling efficient parallel search. This significantly improves runtime and scalability compared to previous methods. Our approach ensures that each iteration yields the optimal decision tree. Experimental results on standard benchmarks demonstrate that SPOT achieves substantial speedup and scales to larger MDPs with a significantly higher number of states. The resulting decision tree policies are interpretable and compact, maintaining transparency without compromising performance. These results demonstrate that our approach simultaneously achieves interpretability and scalability, delivering high-quality policies an order of magnitude faster than existing approaches.

cs.LG↗

arXiv2025

Optimizing Inter-chip Coupler Link Placement for Modular and Chiplet Quantum Systems

Quantum computing offers unparalleled computational capabilities but faces significant challenges, including limited qubit counts, diverse hardware topologies, and dynamic noise and error rates, which hinder scalability and reliability. Distributed quantum computing, particularly chip-to-chip connections, has emerged as a solution by interconnecting multiple processors to collaboratively execute large circuits. While hardware advancements, such as IBM's Quantum Flamingo, focus on improving inter-chip fidelity, limited research addresses efficient circuit cutting and qubit mapping in distributed systems. This project introduces InterPlace, a self-adaptive, hardware-aware framework for chip-to-chip distributed quantum systems. InterPlace analyzes qubit noise and error rates to construct a virtual system topology, guiding circuit partitioning and distributed qubit mapping to minimize SWAP overhead and enhance fidelity. Implemented with IBM Qiskit and compared with the state-of-the-art, InterPlace achieves up to a 53.0\% improvement in fidelity and reduces the combination of on-chip SWAPs and inter-chip operations by as much as 33.3\%, demonstrating scalability and effectiveness in extensive evaluations on real quantum hardware topologies.

quant-ph↗

arXiv2023

A GPU-Accelerated Moving-Horizon Algorithm for Training Deep Classification Trees on Large Datasets

Decision trees are essential yet NP-complete to train, prompting the widespread use of heuristic methods such as CART, which suffers from sub-optimal performance due to its greedy nature. Recently, breakthroughs in finding optimal decision trees have emerged; however, these methods still face significant computational costs and struggle with continuous features in large-scale datasets and deep trees. To address these limitations, we introduce a moving-horizon differential evolution algorithm for classification trees with continuous features (MH-DEOCT). Our approach consists of a discrete tree decoding method that eliminates duplicated searches between adjacent samples, a GPU-accelerated implementation that significantly reduces running time, and a moving-horizon strategy that iteratively trains shallow subtrees at each node to balance the vision and optimizer capability. Comprehensive studies on 68 UCI datasets demonstrate that our approach outperforms the heuristic method CART on training and testing accuracy by an average of 3.44% and 1.71%, respectively. Moreover, these numerical studies empirically demonstrate that MH-DEOCT achieves near-optimal performance (only 0.38% and 0.06% worse than the global optimal method on training and testing, respectively), while it offers remarkable scalability for deep trees (e.g., depth=8) and large-scale datasets (e.g., ten million samples).

cs.LG↗

arXiv2023

Multilingual Lexical Simplification via Paraphrase Generation

Lexical simplification (LS) methods based on pretrained language models have made remarkable progress, generating potential substitutes for a complex word through analysis of its contextual surroundings. However, these methods require separate pretrained models for different languages and disregard the preservation of sentence meaning. In this paper, we propose a novel multilingual LS method via paraphrase generation, as paraphrases provide diversity in word selection while preserving the sentence's meaning. We regard paraphrasing as a zero-shot translation task within multilingual neural machine translation that supports hundreds of languages. After feeding the input sentence into the encoder of paraphrase modeling, we generate the substitutes based on a novel decoding strategy that concentrates solely on the lexical variations of the complex word. Experimental results demonstrate that our approach surpasses BERT-based methods and zero-shot GPT3-based method significantly on English, Spanish, and Portuguese.

cs.CL↗

arXiv2022

Deep Learning-based Predictive Control of Battery Management for Frequency Regulation

This paper proposes a deep learning-based optimal battery management scheme for frequency regulation (FR) by integrating model predictive control (MPC), supervised learning (SL), reinforcement learning (RL), and high-fidelity battery models. By taking advantage of deep neural networks (DNNs), the derived DNN-approximated policy is computationally efficient in online implementation. The design procedure of the proposed scheme consists of two sequential processes: (1) the SL process, in which we first run a simulation with an MPC embedding a low-fidelity battery model to generate a training data set, and then, based on the generated data set, we optimize a DNN-approximated policy using SL algorithms; and (2) the RL process, in which we utilize RL algorithms to improve the performance of the DNN-approximated policy by balancing short-term economic incentives and long-term battery degradation. The SL process speeds up the subsequent RL process by providing a good initialization. By utilizing RL algorithms, one prominent property of the proposed scheme is that it can learn from the data generated by simulating the FR policy on the high-fidelity battery simulator to adjust the DNN-approximated policy, which is originally based on low-fidelity battery model. A case study using real-world data of FR signals and prices is performed. Simulation results show that, compared to conventional MPC schemes, the proposed deep learning-based scheme can effectively achieve higher economic benefits of FR participation while maintaining lower online computational cost.

eess.SY↗

arXiv2019

Data ultrametricity and clusterability

The increasing needs of clustering massive datasets and the high cost of running clustering algorithms poses difficult problems for users. In this context it is important to determine if a data set is clusterable, that is, it may be partitioned efficiently into well-differentiated groups containing similar objects. We approach data clusterability from an ultrametric-based perspective. A novel approach to determine the ultrametricity of a dataset is proposed via a special type of matrix product, which allows us to evaluate the clusterability of the dataset. Furthermore, we show that by applying our technique to a dissimilarity space will generate the sub-dominant ultrametric of the dissimilarity.

cs.LG↗