The field studies how to optimize an objective over a feasible set, from convex programs and combinatorial problems to nonconvex models with complex or conflicting constraints. Classical approaches include projection and Frank–Wolfe methods, interior-point and augmented-Lagrangian algorithms, and evolutionary search; newer work also learns feasible solutions or uses neural projections and solver warm starts. Applications range from robotic trajectory planning and power-grid operation to fair machine learning, resource allocation, and scheduling. A central challenge is balancing scalable computation with reliable feasibility and convergence guarantees, especially for nonconvex or infeasible problems and settings without standard regularity conditions.
Decision-making is posing an increasingly formidable challenge to investors because of the growing number of alternatives available in financial markets. A hot area of research over the past few decades has been portfolio optimization that seeks to determine how much an investor should invest in which asset. Introducing real-world conditions to the optimization model turns the problem into an NP-hard one for whose solution exact methods become inefficient; hence, researchers have turned to evolutionary algorithms to approximate solutions. In this paper, strengthening strategies are presented for multi-objective evolutionary algorithms that can provide a faster convergence rate and extensive search ability in the portfolio optimization problem under the cardinality constraint. To implement those features, a unique solution representation, a novel operator, and new repair mechanisms are introduced for solving the aforementioned problem in which lower and upper limits are set on the number of assets in the portfolio. For this purpose, new mating strategies along with the aforesaid package are implemented in well-known multi-objective evolutionary algorithms to solve the problem. The customized algorithms are subsequently tested against traditional ones using well-known market indices as benchmarks. Results indicate that the proposed strategy not only provides better approximations but also converges faster as well at no loss of performance with an increasing number of assets in the market.
Danial Ramezani, Mostafa Abouei Ardakan
Department of Industrial Engineering, Faculty of Engineering, Kharazmi University, Tehran, Iran
The inverse design of physical systems governed by partial differential equations is computationally demanding due to the high dimensionality and non-convexity of design spaces. Generative models for inverse design often lack robustness and transferability, whereas evolutionary strategies are robust but struggle in high-dimensional spaces. This paper introduces a Neural Operator-enabled Topology-informed Evolutionary Strategy (NOTES) that integrates dimensionality reduction, representation learning, and evolutionary optimization for efficient and transferable inverse design. NOTES couples a DeepONet-based neural operator with the Covariance Matrix Adaptation Evolution Strategy (CMA-ES) to perform global optimization in a compact latent space that encodes topology-aware priors while discovering high-performance designs for unseen operating conditions. Applied to nanophotonic beam-deflector inverse design governed by Maxwell's equations, NOTES reduces the design dimensionality from 256 to 25 and consistently achieves over 95 percent efficiency, outperforming CMA-ES, topology optimization, and other baselines. Applied to structural optimization, NOTES discovers designs that achieve compliance down to 246. By decoupling topology learning of a DeepONet from the governing physics in a PDE solver, NOTES provides a flexible and transferable framework for the inverse design of physical systems.
Structured preconditioners restrict optimization to a small family of positive metrics, but endpoint condition-number reachability does not measure the geometric effort required to reach a useful metric. We formulate this effort as a path-space value problem. Restricted dynamic geometric complexity is the least affine-invariant length of an admissible metric path whose endpoint reaches a Hessian-relative generalized-eigenvalue condition target. Path elimination gives an exact min-plus semigroup and Bellman principle, while fixed-horizon kinetic energy is exactly squared complexity divided by twice the horizon. The main response result is global on a Hadamard state space: geodesic convexity produces a smooth intervention-cube path branch and a uniformly coercive Jacobi form, while one Green inverse generates the value Hessian, two-sided force-to-curvature bounds, exact Möbius effects, and arbitrary prescribed finite-order responses. For the hard condition target, a bordered Jacobi--KKT theorem differentiates the moving projection endpoint and multiplier on every regular active spectral stratum; its indefinite inverse also explains why hard-target interactions need not share the unconstrained sign. The theory specializes to affine-invariant positive-definite geometry. A determinant-one two-dimensional diagonal model has an exact target interval, a closed-form forced path, and a strictly negative-definite interaction matrix. A moving diagonal Hessian gives a closed-form hard-target projection, multiplier, and pair effects of either sign, while a coordinate-sequential three-dimensional protocol yields an exact path metric strictly larger than the ambient projection distance. Thus the global Green and bordered hard-target responses are explicit laws of restricted metric-path elimination built on Bellman composition.
While accuracy, robustness, and calibration are all essential for reliable neural networks, they are often studied separately; developing models that satisfy all three simultaneously remains a central challenge. Lipschitz-constrained models guarantee robustness by design, yet the manual selection of the Lipschitz constraint L governs the resulting accuracy-robustness trade-off, and their calibration properties remain largely underexplored. In this work, we highlight a theoretical and empirical link between the enforced Lipschitz constraint and Temperature Scaling, a state-of-the-art calibration method. Specifically, we find that for a given training scheme, there exists a non-trivial value L* that yields an out-of-the-box calibrated network, and that calibration acts as a principled criterion to select a well-defined operating point on the accuracy-robustness Pareto front. Leveraging these insights, we introduce Lipschitz Scaling Training (LiST), a novel training paradigm that iteratively adjusts the global Lipschitz constant to reach this operating point. Through a margin parameter in the training loss, LiST further enables the construction of a fully calibrated Pareto front, allowing users to navigate the accuracy-robustness trade-off while remaining calibrated throughout. At convergence, LiST also enables the reintegration of calibration data into training, improving sample efficiency without sacrificing calibration. We validate LiST on CIFAR-10/100 and Tiny-ImageNet, demonstrating competitive accuracy and robustness against constrained and unconstrained baselines, while remaining calibrated out of the box. Code is available at GitHub.
Sampling-based model predictive control methods handle nonlinear dynamics and complex cost landscapes through Monte Carlo rollouts, yet typically employ fixed constraint penalties that do not adapt to model-plant mismatch. This paper proposes Residual-Conservative Model Predictive Path Integral Control (RC-MPPI), a sampling-based MPC framework that modulates safety conservatism online using the prediction-execution residual. RC-MPPI combines three coupled mechanisms: residual-dependent constraint tightening, adaptive safety-cost shaping, and residual-adaptive sampling modulation through exploration contraction and temperature relaxation. The temperature adaptation reflects a key insight: when the model is inaccurate, rollout cost evaluations become unreliable, and increasing temperature reduces overcommitment to apparent cost rankings. Under Lipschitz dynamics and sub-Gaussian disturbances, we derive probabilistic bounds on constraint violation and show that the joint effect of the adaptive mechanisms reduces violation probability as the residual grows. A rollout-cost uncertainty analysis further shows that model-plant mismatch perturbs MPPI importance weights in proportion to residual magnitude and inversely with temperature, providing theoretical justification for residual-adaptive temperature relaxation. Simulations on an LTI point-mass system and a planar 2R manipulator show improved safety margin, success rate, and control efficiency compared with vanilla MPPI under significant model-plant mismatch.
Hyung-Jin Yoon, Hunmin Kim
Department of Mechanical and Nuclear Engineering, Tennessee Technological University, Cookeville, TN, USA
Engineering shape optimization faces challenges in both expert-dependent problem setup and surrogate-model reliability. In practical aerodynamic design, optimization settings such as editable regions, deformation ranges, and design-preservation constraints are typically specified manually by experienced engineers, while surrogate-based optimization may become unreliable for heterogeneous geometry databases and out-of-distribution designs. To address these challenges, we propose a knowledge-constrained shape-optimization framework that translates knowledge-based constraints and user intent into quantifiable parameters of DFFD-based deformation operators, enabling engineering-aware and controllable constrained optimization. We further develop a Mixture-of-Experts Neural Operator (MoE-NO) to improve drag prediction and trend consistency over heterogeneous aerodynamic datasets. Based on the MoE-NO encoder and Mahalanobis distance, an uncertainty-estimation strategy is introduced to detect out-of-distribution geometries and selectively trigger physics-solver feedback for local sample enrichment. Experiments on in-house MPV, SUV, and Sedan datasets show that MoE-NO achieves a test-set MAPE of 1.16% and a trend-prediction accuracy of 94.34%, outperforming the best baseline results of 1.52% and 90.34%, respectively. Vehicle shape-optimization experiments further yield CFD-validated drag coefficient reductions of approximately 4% to 10%.
Wenhao Fan, Yuanwei Bin, Jianghan Gu +4
School of Ocean and Civil Engineering, Shanghai Jiao Tong University, Shanghai 200240, China · 2Eastern Institute of Technology, Ningbo, Ningbo 315200, Zhejiang, China · 3TenFong Technology Co., Ltd., Shenzhen 518000, Guangdong, China +1
Flow matching is a powerful tool for generative modeling, but emerging applications in robotics, planning, and control require inference-time constraints on generated outputs. Such constraints are often complex and highly nonlinear. As a result, methods designed for linear constraints like image inpainting are rarely sufficient, and projection or optimization-based alternatives can be prohibitively expensive. In this paper, we introduce Lagrangian Dual Flows, a new family of constrained generation techniques based on Lagrangian dual dynamics. By flowing a dual co-state alongside generated samples, we can guarantee nonlinear constraint satisfaction without expensive optimization subproblems, pseudoinverses, or projection steps during the denoising process. The resulting constrained generation algorithms are simple, effective, and open new theoretical connections between flow matching and primal-dual methods in numerical optimization.
Inference-time alignment steers a frozen language model during decoding using auxiliary reward signals, avoiding the cost of repeated weight updates. However, existing inference-time alignment methods typically optimize a single scalar score, so explicit safety constraints must either be ignored or encoded through manually tuned penalties. We propose Lagrangian Reward Augmentation (LARA), a general inference-time alignment framework under safety constraints. Starting from a KL-regularized constrained objective with a reward model and a cost model, LARA dualizes the constraint and reduces the optimization problem to a one-dimensional convex problem over a nonnegative dual variable. Estimated on a small calibration set, this dual variable defines an augmented reward that can be used as a drop-in scoring signal within existing inference-time alignment methods. For sequence-level sampling methods, such as Best-of-N reranking, the calibrated dual variable corresponds to the solution of the expected-cost constrained problem. For token-level reward-guided decoding methods, the same construction yields a principled dual-calibrated heuristic rather than an exact constrained-policy guarantee. We evaluate LARA on both sequence-level and token-level inference-time alignment methods, and find that LARA improves the helpfulness-harmlessness tradeoff, with Best-of-N achieving the best performance among inference-time methods, approaching finetuning-based direct alignment baselines.
Yaswanth Chittepu, Ativ Joshi, Sohini Chintala +1
University of Massachusetts Amherst · Independent Researcher
Multiplex CRISPR-Cas9 gene editing requires selecting one guide RNA per target gene subject to cross-gene interactions: a constrained combinatorial problem that can be formulated as a Quadratic Unconstrained Binary Optimization (QUBO) and solved via the Quantum Approximate Optimization Algorithm (QAOA). The one-hot per-gene constraint is conventionally enforced by adding quadratic penalty terms to the cost Hamiltonian, but penalty coefficient selection is heuristic and penalties amplify hardware noise. An alternative is to enforce the constraint structurally via the XY-mixer, which preserves feasibility by construction. We present COMET, a systematic comparison of penalty-based and XY-mixer QAOA on a three-gene, twelve-qubit multiplex editing instance targeting the immune-checkpoint genes PDCD1, LAG3, and HAVCR2. In simulation, the XY-mixer exceeds 95% probability of the optimum by QAOA depth p=3, while three penalty variants spanning an order of magnitude in penalty coefficient remain below 6% at every depth. On IBM's ibm_kingston (Heron r2) processor, the XY-mixer's simulator-hardware energy gap stays within |0.8| across all depths, while the worst-tuned penalty variant's gap reaches +53.9. We provide an honest account of where the structural guarantee partially breaks under gate-level noise. The twelve-qubit instance is classically trivial; our contribution is a methodological comparison of constraint-enforcement strategies in a biologically motivated domain, with real-hardware validation.
Priyansh Singhal, Sumit Maheshwari, Piyush Joshi
Independent Researcher India · Microsoft Boston, USA · Department of Computer Science & Engineering IIIT Sri City, India
Generative models have emerged as scalable surrogates for physical simulation, yet they offer no guarantee that their outputs respect the conservation laws, boundary conditions, and nonlinear invariants that govern the underlying physics. Constrained sampling closes this gap, enforcing such constraints exactly at inference time without retraining, but at a computational cost: projection, correction and trajectory-optimization steps are repeated during sampling, with these steps becoming expensive for nonlinear constraints. Standard ML frameworks exacerbate this: their dense tensor algebra and limited sparse solver composability obscure the structure that physical constraints naturally induce, making efficient batched nonlinear optimization difficult to realize in practice. We address this bottleneck by exploiting the structure that sample-wise batching and local PDE couplings induce in the projection subproblems -- namely, block-sparse Jacobian and KKT systems -- exposing this structure using ExaModels.jl and solving the resulting sparse nonlinear programs with MadNLP.jl and GPU sparse factorization. Applied to Physics-Constrained Flow Matching (PCFM), on PDE benchmarks with linear, nonlinear, one-dimensional, and two-dimensional constraints, this approach accelerates nonlinear constraint projection while maintaining constraint satisfaction. These results show that sparse GPU nonlinear optimization is a practical foundation for constrained generative sampling in scientific machine learning.
We study constrained online convex optimization with adversarial losses and stochastic or adversarial constraints. For stochastic constraints, existing algorithms that achieve nearly optimal regret and constraint violation bounds typically rely on regularity assumptions such as Slater's condition, while adversarial-constraint algorithms avoid these assumptions by using a rather restrictive round-wise feasible comparator. We bridge this gap with an anytime primal-dual framework that incorporates an adaptive regularizer into the dual update. The regularizer stabilizes the dual process without relying on the negative drift induced by Slater's condition. For stochastic constraints and convex losses, our algorithm achieves O(T) expected regret and O(TlogT) expected cumulative constraint violation. Furthermore, we show that our algorithm also admits high-probability bounds of the same order on regret and constraint violation. For strongly convex losses, the regret bound improves to O(logT) with a violation bound of the same order. With a minor modification, the framework also applies to adversarial constraints and provides guarantees for hard constraint violation.
Joint OFDM-RIS optimization for 6G is a mixed-integer nonlinear programming (MINLP) problem covering sum-rate maximization, energy efficiency, max-min fairness, and peak-to-average power ratio (PAPR)-constrained objectives. Seventy-eight joint OFDM-RIS optimization works published between 2021 and 2026 are surveyed. No standardized benchmark exists, and cross-paper comparisons remain infeasible. This survey classifies these works into four paradigms: (I) model-based convex relaxation, (II) heuristic and metaheuristic search, (III) deep reinforcement and unsupervised learning, and (IV) emerging methods including foundation models (FM), diffusion-based generative AI, and quantum optimization. A literature synthesis of self-reported benchmarks shows that ML-based methods (Paradigm~III) report 95-99% of model-based spectral efficiency at 10^2-10^4 x faster per-inference runtime (method-pair dependent; literature values are self-reported and exclude ML pre-training cost). A companion tutorial benchmark at N=16, N=64, and N=128 reveals a critical scaling property: GPU-based neural network inference (DDQN, PPO, graph neural network (GNN), unsupervised DL) is N-invariant, with identical runtime at N=16 and N=128, while iterative solvers (AO+SCA, PSO) scale polynomially. Energy efficiency (P2) and PAPR-constrained (P4) benchmarks are deferred to future work with standardized power models and waveform generators. Six open challenges emerge from the synthesis: the cross-paradigm benchmark deficit, real-world hardware-constrained deployment, joint waveform-RIS optimization for doubly-dispersive channels, multi-objective PAPR trade-offs, LLM safety in live network control, and diminishing returns of standalone heuristics. We specify requirements for a standardized benchmark. This study serves as a roadmap for researchers and practitioners working on joint OFDM-RIS optimization in 6G networks.
Ahmet Kaplan
Department of AI Engineering, Istanbul Medipol University, Istanbul, Türkiye
Deep learning problems rarely involve objectives that are equal in importance. A primary objective defines the goal, whilst secondary objectives, such as sparsity, compression, or robustness constrain the solution. While existing multi-objective methods have proven effective in practice, they have a clear symmetry problem and neglect the inherent objective hierarchy built into these objective spaces. We introduce Priority-Constrained Descent (PCD), a gradient-based optimization framework designed to explicitly exploit hierarchical objective structures. PCD preserves the direction of primary descent whilst allowing for the minimal distortion necessary to guarantee progress on secondary objectives, controlled by a single τ∈[0,1] that dictates the strength of the distortion. The resulting formulation is invariant to objective scaling and admits exact closed-form solutions for problems with two and three objectives. We evaluate PCD within structured network compression settings, unstructured sparsity and low-rankness, and across a variety of synthetic experiments, showing Pareto dominance and better per-objective performance with secondary progress guarantees over existing methods, further exhibiting the interpretable trade-off that τ provides.
Dara Varam, Mohamed I. Alhajri
Department of Computer Science & Engineering, American University of Sharjah · Senseable City Laboratory, Massachusetts Institute of Technology
Constrained single-objective numerical optimization requires a careful balance among feasibility, objective convergence, and computational efficiency under a fixed function-evaluation budget. This paper proposes DE-2LS, a late-stage, locally search-enhanced variant of differential evolution built on the RDEx framework. The proposed method preserves the original RDEx components, including mutation and crossover operators, success-history adaptation, archive mechanism, population-size reduction, and ε-based constraint handling. A lightweight coordinate-pattern local search is added as a guarded polishing component around the current best solution. It is activated only in the late stage of the run, uses a small evaluation budget, and accepts candidates through a feasibility-aware comparison rule. Ablation results show that the finalized DE-2LS configuration achieves the best U-score among all tested variants, confirming that controlled late-stage refinement is more effective than aggressive or premature local search. In the direct comparison with RDEx, DE-2LS achieves a 5.58% gain in U-score. In the four-algorithm comparison, DE-2LS obtains the highest overall U-score of 80968 and the best total rank of 48 among RDEx, CL-SRDE, and UDE-III. These results indicate that DE-2LS improves the exploitation capability of the RDEx-based search framework while preserving its speed advantage under the combined speed-accuracy scoring criterion. The source code of DE-2LS is available at https://github.com/ChauhanDikshit?tab=repositories.
Dikshit Chauhan, Anupam Trivedi
Department of Electrical and Computer Engineering, National University of Singapore
There has been significant recent progress in algorithms for approximation of Nash equilibrium in large two-player zero-sum imperfect-information games and exact computation of Nash equilibrium in multiplayer strategic-form games. While counterfactual regret minimization and fictitious play are scalable to large games and have convergence guarantees in two-player zero-sum games, they do not guarantee convergence to Nash equilibrium in multiplayer games. Recently, an approach has been presented for exact computation of Nash equilibrium in multiplayer imperfect-information games that solves a quadratically constrained program based on a nonlinear complementarity problem formulation derived from the sequence-form game representation. This formulation was solved using Gurobi's nonconvex quadratic solver, which employs spatial branch-and-bound to iteratively refine variable bounds by solving convex relaxations of bilinear terms via McCormick envelopes. During presolve, Gurobi introduces auxiliary variables and, in some cases, binary variables, leading to an internal MIQCP reformulation. This approach was demonstrated to outperform prior algorithms from the Gambit software suite and quickly solve three-player Kuhn poker after removal of dominated actions; however, the algorithm was not able to solve the full version of the game within 24 hours. In this paper, we derive finite bounds on slack and multiplier variables in the nonlinear complementarity formulation. These bounds strengthen the convex relaxations used within spatial branch-and-bound and lead to substantial computational improvements. We demonstrate the impact of the proposed bounds on exact Nash equilibrium computation in three-player Kuhn poker.
Robotics increasingly relies on GPUs for parallel simulation, large-scale learning, and neural-network inference. For model predictive control (MPC) to scale with this paradigm, solvers must run efficiently on this hardware while remaining fast, differentiable, and compatible with expressive MPC formulations used in robotics. We present TurboMPC, a differentiable MPC solver that runs entirely on the GPU and supports state and control inequality constraints, implicit integrators, cross-time-coupled costs, and slack variables. TurboMPC combines sequential quadratic programming (SQP), an alternating direction method of multipliers (ADMM) inner solver, implicit differentiation, and a co-designed JAX-CUDA implementation for efficiency and ease of use. In simulation, we validate TurboMPC on constrained planning, humanoid imitation learning, and reinforcement learning with neural-network cost function tasks, achieving up to 15× and 58× speedups over state-of-the-art CPU and GPU differentiable solvers, respectively. We deploy TurboMPC on a full-scale car for minimum-time racing and find that batched, GPU-accelerated tuning of MPC parameters via Bayesian optimization yields significantly faster driving than a hand-tuned baseline. TurboMPC also scales to planning horizons of over 8000 knot points while maintaining control of the vehicle. We open-source TurboMPC at: https://github.com/ToyotaResearchInstitute/turbompc
Gabriel Bravo-Palacios, Jianghan Zhang, Zachary Pestrikov +2
Dartmouth College, Hanover, NH, USA · Toyota Research Institute, Los Altos, CA, USA
Variable projection is a classical technique for separable nonlinear least-squares problems, in which variables that enter linearly are eliminated exactly, yielding a reduced nonlinear problem. By expressing this framework as a particular instance of a broader class of bilevel optimization problems, we develop a constrained variable-projection framework for data-science models, where the remaining variables are subject to convex constraints and the eliminated variables arise from a lower-level least-squares problem. In particular, by interpreting variable projection as a collapsed bilevel optimization problem, we derive exact reduced-gradient formulas compatible with automatic differentiation and propose a conditional-gradient algorithm for the resulting constrained reduced problem. We establish convergence guarantees under standard smoothness and compactness assumptions, and discuss extensions to structured lower-level variables. Numerical experiments on sparse autoencoding, dictionary learning, blind deconvolution, and few-shot learning suggest that the method can improve wall-clock efficiency and data efficiency relative to natural joint-optimization baselines.
Emanuele Zangrando, Sara Venturini, Francesco Rinaldi +1
Gran Sasso Science Institute, L’Aquila, Italy. · MOBS Lab, Northeastern University, Boston, USA. · University of Padova, Padova, Italy. +1
We study trajectory optimization in mobile sensing systems that must identify which member of a finite candidate set is the true target, while maintaining reachability to all potential candidate targets, under resource constraints. Deferred-Decision Trajectory Optimization (DDTO) addresses this setting by computing trajectories that reach individual targets but remain coincident for as long as possible before separating toward different targets. We propose Active-Sensing DDTO (AS-DDTO), which extends DDTO by adding a trajectory-dependent information-acquisition term to the planning objective. The resulting planner maintains reachability to candidate targets while biasing the coincident portion of the trajectories toward regions that enable earlier target identification. The framework supports Bayesian updates and conformal candidate-set updates for distance-dependent sensing. We derive a mixed-integer conic reformulation and provide guarantees on recursive feasibility, belief concentration, and fixed-time coverage for the raw conformal candidate set. Numerical simulations show improved target identification compared with standard DDTO under distance-dependent sensing uncertainty and limited sensing budget.
Farbod Siahkali, Mengxue Hou, Vijay Gupta
Department of Electrical and Computer Engineering, Purdue University, West Lafayette, IN 47906, USA · Department of Electrical Engineering, University of Notre Dame, Notre Dame, IN 46556, USA
Large-scale optimization problems are often solved repeatedly under similar structural conditions, leading to substantial computational overhead. This occurs in applications such as power systems, transportation, and supply chain networks, where the underlying structure is fixed while parameters frequently vary under perturbations. This paper proposes a Learning to Optimize (LTO) framework that accelerates the solution of large-scale general mixed-integer problems by leveraging the concept of a backdoor, i.e., a subset of variables that drive most of the computational complexity. The proposed BIPC framework consists of three phases. Phase I is an identification procedure that discovers a backdoor for a set of instances in the distribution. Phase II uses supervised learning to develop machine learning models that, given an instance, predict values for bounded-domain backdoor variables and intervals for wide-domain backdoor variables. These predictions define a reduced optimization problem where the predictions constrain the backdoor variables, while the other variables remain free. Phase III optimizes this reduced problem and, if necessary, applies a correction step to restore feasibility or the optimality guarantees. Experiments on real-world, large-scale problems show substantial reductions in solution time with only a limited loss in solution quality. The framework enables organizations to solve large-scale optimization problems efficiently in the presence of frequent perturbations, such as unexpected events, demand fluctuations, or operational changes. Because these changes affect parameters rather than the problem structure, BIPC can quickly provide high-quality, feasible solutions, offering a practical approach to integrating machine learning into existing optimization pipelines.
El Mehdi Er Raqabi, Pascal Van Hentenryck
Department of Operations and Decision Systems, Université Laval, Québec, Canada · H. Milton Stewart School of Industrial and Systems Engineering, Georgia Institute of Technology, Atlanta, USA
The John ellipsoid of a symmetric polytope P={x∈Rd:∥Ax∥∞≤1}, A∈Rn×d, is computed by a long line of leverage-score algorithms, from Cohen, Cousins, Lee and Yang (COLT 2019) to its successors [WY24, CLS+25], all reaching a (1+ε)-approximation in Θ(ε−1log(n/d)) iterations. We separate this complexity into three costs the modern line conflates (certification, identification, and accuracy) and locate the historical ε−1 in the first alone. In the equivalent D-optimal-design form minp∈Δn−logdet(∑ipiaiai⊤), the leverage-score oracle is exactly the first-order oracle and the (1+ε)-John guarantee the Frank-Wolfe gap g(p)≤εd; through this dictionary the costs come apart. The ε−1 is a certification artifact: the uniform average of the iterates, the certificate used throughout the line, has gap exactly Θ(1/T), however cheap each iteration is made. Pointed instead at the last iterate the same oracle is fast: a warm-started accelerated method reaches the guarantee in C(A)+O(κlog(1/ε)) queries after an ε-independent setup C(A), and once the optimal face is identified the facial problem is an unconstrained self-concordant minimization whose Hessian the oracle recovers exactly, so damped Newton needs only O(loglog(1/ε)) steps, for a total of C(A)+O(d2loglog(1/ε)) queries. The accuracy dependence is thus doubly logarithmic after an ε-independent, condition-dependent setup; the open problem is the remaining identification cost (a condition-free bound on reaching the optimal face) and lower bounds. Accuracy is not the obstruction.
Xiaoyu Li, Junwei Yu, Jiaojiao Jiang +2
University of New South Wales · University of California, Berkeley · University of Sydney
This work presents an extension to Pareto Front Guided Sampling (PFGS), a Human-in-the-Loop (HitL) Bayesian Optimization (BO) framework in which Gaussian process (GP) surrogate-derived quantities are reformulated as objectives of a multi-objective optimization problem, and the resulting Pareto front is exposed to a domain expert for interactive candidate selection rather than returning a single automated recommendation. The framework is extended in two directions: constrained optimization is addressed by incorporating the posterior probability of satisfying output specification limits as an explicit Pareto objective, computed analytically from the GP posterior distribution; robust optimization is addressed by a Monte Carlo sampling strategy that estimates expected lower-confidence performance over a user-defined variability of input perturbations, capturing performance degradation under likely implementation deviations. The resulting multi-dimensional Pareto representation renders trade-offs between predicted performance, model uncertainty, probabilistic constraint satisfaction, and input robustness simultaneously visible through pairwise two-dimensional projections on an interactive dashboard, enabling selection criteria to be iteratively refined as the surrogate model improves and development objectives evolve. The framework is showcased on an eight-dimensional fed-batch Chinese Hamster Ovary (CHO) cell culture simulator demonstrating systematic identification of high-performing, feasibility-compliant, and perturbation-resilient operating conditions, and illustrating how expert-defined requirements provide a principled stopping criterion and support informed allocation of experimental resources.
Samuel Stricker, Claus Wirnsperger, Alessandro Butté +4
Department of Chemical Engineering Imperial College London London SW7 2AZ · DataHow AG 8050 Zurich · Department of Chemistry and Applied Biosciences ETH Zurich Zurich 8093
Extracting a flat clustering solution from a hierarchy is a common task in practical cluster analysis and can be formulated as an optimisation problem. Existing approaches focus on finding a single optimal solution. We introduce FOSC-X, a framework for extracting the top-M globally optimal flat clusterings from local, non-horizontal cuts of a hierarchical cluster tree, while optionally enforcing constraints on the number of clusters. This enables automatic identification of multiple high-quality alternative clusterings that capture different aspects of the hierarchical structure. Without constraints, the top-M problem can be solved in polynomial time using dynamic programming, exploiting the property that locally optimal partial candidates within subtrees can be combined to form globally optimal solutions while automatically determining the number of clusters. However, this can lead to solutions with numbers of clusters that are ultimately undesirable -- e.g., too large to be meaningful or practically analysed within a particular application domain. Imposing cluster-count constraints breaks the optimality property underlying the unconstrained dynamic programming approach, since locally optimal partial candidates may no longer combine into feasible globally optimal solutions. FOSC-X addresses this challenge through a dynamic programming strategy that maintains compact sets of feasible candidates using lower and upper feasibility bounds while pruning infeasible or dominated combinations. The resulting method guarantees optimal rankings of the top-M solutions with linear-time complexity in the number of cluster nodes and dataset size, both with and without cluster-count constraints. Experiments show that FOSC-X efficiently reveals alternative clustering structures overlooked by single-solution extraction methods.
Connor Simpson, Ricardo J. G. B. Campello
Department of Mathematics and Computer Science, University of Southern Denmark, Odense, Denmark.
Automatic performance tuning, or auto-tuning, is a key technique in high-performance computing, enabling applications to adapt to complex and evolving hardware architectures. A central challenge is the need to optimize over large discrete, constrained parameter spaces, where many candidate configurations are invalid due to hardware or software correctness constraints. Traditional evolutionary algorithms, such as Differential Evolution, Particle Swarm Optimization, and Genetic Algorithms, are not inherently constraint-aware and thus often waste computational resources evaluating invalid solutions. In this work, we present and evaluate constraint-aware variants of four evolutionary algorithms for auto-tuning. Through extensive experiments on a representative benchmark suite, we show that constraint-aware optimization leads to faster convergence and improved performance over unconstrained methods. Furthermore, we demonstrate that our methods outperform the pyATF methods, a state-of-the-art framework for constraint-based auto-tuning. Our results demonstrate that incorporating constraint-awareness into the optimization process significantly enhances their applicability and effectiveness in real-world auto-tuning problems. Constraint-awareness improved algorithm efficiency by ~39 on average, correlated with search space sparsity. The algorithms developed in this study are publicly available as open-source contributions to the Kernel Tuner framework, facilitating future research and benefitting users.
Floris-Jan Willemsen, Stijn Heldens, Rob V. van Nieuwpoort +1
LIACS, Leiden University, the Netherlands · Netherlands eScience Center, Amsterdam, the Netherlands
The Moving-Target Traveling Salesman Problem (MT-TSP) seeks a minimum cost trajectory for an agent that departs from a static depot, visits a set of moving targets, each within one of their assigned time windows, and returns to the depot. In this article, we study the Moving-Target Traveling Salesman Problem with Moving Obstacles (MT-TSP-MO), a generalization of the MT-TSP where the agent trajectory must avoid moving obstacles. We present a Mixed-Integer Conic Programming (MICP) formulation that can be solved using off-the-shelf solvers, as well as a fast and scalable Two-Phase Bilevel Search (TPBS) algorithm that computes high-quality feasible solutions for the problem. We evaluate our approaches against an existing baseline algorithm on a broad range of problem instances with up to 40 targets and 40 obstacles. The results demonstrate that both the proposed methods significantly outperform the baseline with respect to success rates, solution costs, and computation time.
Allen George Philip, Anoop Bhat, Sivakumar Rathinam +1
Mechanical Engineering, Texas A&M University, College Station, TX 77843-3123 · Robotics Institute, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, PA 15213, USA · Mechanical Engineering, and Computer Science and Engineering, Texas A&M University, College Station, TX 77843-3123
This paper develops constrained diffusion models with primal-dual inference (PDI) to sample from optimal distributions of entropy-regularized optimization problems with average constraints. We formalize constrained sampling in the Lagrangian dual domain, where the optimal distribution takes the form of a Gibbs distribution indexed by the optimal dual variable. Rather than estimating this dual multiplier before sampling and freezing it throughout generation, PDI jointly infers the optimal primal distribution and its parametrizing dual variable. Each reverse diffusion step denoises using the score field associated with the current multiplier and then updates the multiplier through dual ascent using the estimated constraint violation of the denoised samples. To enable this conditional score field, we train a single dual-conditioned score network over the family of Gibbs distributions induced by the dual variables encountered during inference. We prove that the dual iterates converge to a neighborhood of the dual optimum, and that the generated distribution approaches that of an oracle sampler that knows the optimal multiplier, up to a bias floor. We evaluate PDI on constrained sampling from a mixture of Gaussians, wireless resource allocation, and portfolio management.
Samar Hadou, Yigit Berkay Uslu, Alejandro Ribeiro
Department of Electrical and Systems Engineering, University of Pennsylvania
Matrix based optimizers such as Muon can substantially speed up language model pretraining, but their gains over AdamW are observed to shrink as model size and data scale grow when using standard constant decoupled weight decay. We propose Hyperball, a simple optimizer wrapper that addresses this issue. Given a base optimizer such as Adam or Muon, Hyperball sets the Frobenius norms of weight matrices and their corresponding optimizer updates to fixed constants. On Qwen3 style models up to 1.2B parameters, Muon Hyperball achieves 20--30% token equivalent speedup over weight decay baselines. Hyperball also improves learning rate transfer across widths and depths compared to decoupled weight decay. This method is motivated by prior theory showing that training with weight decay leads to an equilibrium weight norm that only depends on the training hyperparameters. Through this mechanism, the weight decay then decides the angular learning rate, i.e. how fast the direction of the weight matrix changes.
Robotic systems routinely encounter conflicting objectives, modeling errors, and degenerate contact conditions that render quadratic programs (QPs) infeasible. Yet most optimization solvers and differentiable QP layers assume feasibility, leading to numerical failures, unstable gradients, or solver breakdown when constraints cannot be simultaneously satisfied. We present Elastic ODYN, a primal-dual non-interior-point QP solver that handles infeasibility through smooth squared-ℓ2 elastic relaxations. The formulation remains well posed under ill-conditioning and degeneracy, supports warm starting, and converges to closest-to-feasible solutions, with lightweight refinement recovering physically meaningful dual variables. Building on this framework, we develop Elastic ODYNLayer, a differentiable QP layer with stable gradients under infeasibility, and Elastic OdynSQP, an SQP method that resolves inconsistent subproblems and intrinsically infeasible optimal control tasks through selective constraint elasticity. Across benchmark QPs, singular contact mechanics, differentiable parameter identification, and quadrupedal and humanoid trajectory optimization, Elastic ODYN outperforms state-of-the-art elastic QP solvers in robustness, warm-start performance, and convergence reliability, enabling optimization, simulation, control, and learning beyond standard feasibility assumptions.
Aristotelis Papatheodorou, Jose Rojas, Ioannis Havoutis +1
Department of Engineering Science, University of Oxford, Oxford, UK · Robot Motor Intelligence (RoMI) Lab, Heriot-Watt University, Edinburgh, UK
Finding D-optimal designs for generalized linear models (GLMs) is challenging due to the dependence of the Fisher information matrix on unknown parameters and the lack of closed-form solutions, particularly when input factors include both discrete and continuous variables. Although classical algorithms and recent metaheuristic approaches have offered partial solutions, there remains a need for robust and computationally efficient methods. In this paper, we propose a penalized Particle Swarm Optimization (PSO) approach, named p-PSO. Here we introduce a new, general-purpose penalty formulation for constrained optimization and demonstrate its effectiveness in optimal design problems. The formulation is algorithm-agnostic and applicable to a broad class of black-box optimization methods. Results show that the method is highly efficient, with its primary contribution being a penalty formulation that enables the direct use of an off-the-shelf PSO algorithm and extends naturally to more general constrained optimization tasks.
Shrabanti Chowdhury, Abhyuday Mandal
Icahn School of Medicine at Mount Sinai New York, NY 10029-5674 · University of Georgia Athens, GA 30602-7952
The real-time orchestration of microgrids that combine fluctuating renewable sources, dispatchable units, storage and curtailable consumers requires the repeated solution of combinatorial dispatch and coalition formation problems under hard control deadlines. In this paper, a quantum-assisted agentic distributed artificial intelligence (DAI) framework is proposed in which the dispatch problem of each control slot is formulated as a quadratic unconstrained binary optimization (QUBO) problem by Belief-Desire-Intention extended (BDIx) agents and is solved by a portfolio of quantum, quantum-inspired and classical solvers. Solver selection is elevated to a first-class agentic deliberation action of the coordinator agent. Learned beliefs about solver latencies are maintained and the solver intention that is expected to satisfy the prevailing deliberation deadline is committed in each slot. In addition, a belief-shaped storage valuation mechanism is introduced through which the storage agent prices its energy at a discounted future-peak value, injecting intertemporal information into the otherwise myopic per-slot optimization. The framework is evaluated on a 24-hour simulation of a grid-connected microgrid with photovoltaic, wind, battery, genset and demand-response assets, with the Quantum Approximate Optimization Algorithm (QAOA) executed by statevector simulation and benchmarked per slot against tabu search, simulated annealing, binary particle swarm optimization, greedy descent and exhaustive enumeration. Zero deliberation deadlines are missed, the committed dispatch attains the exact optimum on every slot and the realized daily cost of 146.24 EUR equals the exact lower bound, with 97.83 percent renewable utilization and zero unserved energy. When the storage valuation mechanism is deactivated, the daily cost is increased to 152.75 EUR, a 4.5 percent increase.
Iacovos I. Ioannou, Saher Javaid, Minella Bezha +3
Department of Computer Science, Philips University, Nicosia, Cyprus · Department of Computer Science, University of Cyprus and the CYENS Centre of Excellence, Nicosia, Cyprus · School of Information Science, Japan Advanced Institute of Science and Technology, Nomi, Ishikawa, Japan +1
Deep unfolding (DU) accelerates iterative optimizers by introducing learnable components and training them through unrolled iterations, but extending DU to the large-scale semidefinite programs (SDPs) common in robotics has remained limited. Unrolling a full-update conic solver such as COSMO exposes two obstacles that prior work on learned conic solvers has not: backpropagating through the per-iteration linear-system solve incurs memory quadratic in the problem size once the coefficient matrix is formed explicitly, and backpropagating through the positive semidefinite (PSD) cone projection becomes numerically unstable when eigenvalues coincide. We address the first obstacle with a matrix-free implicit differentiation rule that operates entirely through matrix-vector products, reducing memory from O(n2) to O(n) and enabling backpropagation at scales where direct factorization runs out of memory. We address the second with a backward rule based on the Dalečkii--Krein representation of the Fréchet derivative, which remains well-defined under repeated eigenvalues. Together these make it possible to learn lightweight hyperparameter policies and warm-starts for a full-update conic solver. We evaluate on nonlinear covariance steering problems solved via sequential convex programming (SCP), as well as standalone SDPs and second-order cone programs ranging from max-cut and Lovász ϑ SDPs to robust estimation and control problems. The learned policies outperform state-of-the-art solvers across all problems, and can provide up to a 50× speedup depending on the class. When used as a subroutine in SCP, the learned approach delivers over a 30× speedup compared to COSMO.
Alex Oshin, Rahul Vodeb Ghosh, Evangelos A. Theodorou