Expensive constrained optimization problems in real-world industry design often involve constraint thresholds that are difficult to determine in advance. Engineers may need to adjust constraint thresholds to explore different feasibility-performance trade-offs, requiring solutions under a wide range of threshold settings. However, existing constrained Bayesian optimization methods treat each threshold configuration independently, leading to repeated optimization and failing to exploit the shared relationship among continuously varying thresholds. To address this challenge, we propose constraint-bound agnostic Bayesian optimization (CBA-BO), a learning-based framework that learns a parametric constraint model mapping thresholds to optimal solutions. Once learned, CBA-BO directly predicts solutions for arbitrary unseen threshold configurations without additional optimization, with a one-step Bayesian optimization refinement further improving solution quality. Experiments on benchmark and engineering problems demonstrate that CBA-BO learns a transferable threshold-solution mapping, enabling efficient prediction and optimization for arbitrary threshold queries. An intent-guided constraint-bound recommendation mechanism is further developed to improve objective performance while satisfying user-specified constraint preferences.
Hauke Maathuis, Roeland De Breuker, Saullo Castro +1cs.LG
Bayesian Optimisation (BO) under unknown constraints is particularly challenging when feasible regions are small. In such settings, existing methods that typically rely solely on evaluations of the true objective and constraints struggle to efficiently explore the design space. However, many real-world applications offer auxiliary data sources (e.g. surrogate models or simplified simulations) that can support early exploration. Despite this potential, their integration into constrained BO remains largely unexplored. We propose a general multi-source framework that extends constrained Max-value Entropy Search, capturing inter-source correlation while balancing evaluation cost and information gain. Experiments on both synthetic and physics-based benchmarks show that our method efficiently identifies feasible and optimal solutions, even when auxiliary data are only weakly correlated. The proposed approach consistently outperforms existing methods, particularly in early-stage exploration.
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.
Ruben Wiedemann, Antoine Jacquier, Lukas Gononcs.LG
Enforcing functional inequality constraints such as monotonicity and convexity in neural networks is a fundamental challenge in many industrial and scientific applications. Classical one-sided penalty methods, along with primal-dual methods gated by complementary slackness, provide constraint gradients only at violated locations, resulting in fragile satisfaction. Architectures that guarantee feasibility by construction, on the other hand, remain largely limited to elementary cases and impose additional inductive biases. We introduce neural slack variables, a deep learning native primal-side approach that converts constraint enforcement into a regression problem by coupling the primary network with a jointly learned auxiliary network. The auxiliary network serves as a valid target for the primary network's constraint quantities, inducing feasibility and regularity. Neural slack variables achieve zero measured violations on dense-grid monotonicity and convexity test cases, where penalty and primal-dual baselines leave residual violations, and enable arbitrage-free learning of volatility surfaces, an open industrial challenge in quantitative finance.
Constrained hyperparameter optimization (HPO) is common in practice, yet Optuna's widely used constrained TPE lacks algorithmic analysis. While c-TPE proposes an expected constrained improvement (ECI) approach assuming independence between the objective and constraints, Optuna uses a single joint density over both. We show that Optuna's constrained TPE is joint c-TPE -- the same ECI acquisition function using a joint likelihood. We demonstrate joint c-TPE is invariant to constraint duplication whereas independent c-TPE degrades as the product accumulates duplicated factors. We outline practical tradeoffs between the formulations and directions for future study.
Everywhere learning is a new paradigm whereby Artificial Intelligence (AI) systems are trained to satisfy loss constraints with probability one over the data distribution. This is in contrast to the standard paradigm of training AI systems to minimize average losses. We develop an approximate duality theory to substantiate a generalization analysis that establishes the proximity between solutions of empirical and statistical everywhere learning problems. Our results show that dual variables reweigh the data distribution towards points in which loss constraints are more difficult to satisfy and that generalization is controlled by the mismatch between the concentration of mass of the data distribution and the concentration of mass on points where constraints are more difficult to satisfy. We further show that we can control generalization with a sparse L1 penalty on constraint relaxations. We illustrate the merits of everywhere learning with an experiment in agentic classification for language model tasks.