Reduced-Space Multi-Fidelity Bayesian Optimization of Process Simulation Models

Optimizing industrial process flowsheets is often computationally prohibitive due to the high cost of rigorous simulations and the curse of dimensionality inherent in complex design spaces. To address these challenges, we present a reduced-space multi-fidelity Bayesian optimization (RS-MFBO) framework designed for high-dimensional, expensive black-box functions. The approach integrates Global Sensitivity Analysis (GSA) for dimensionality reduction with a fidelity-augmented Gaussian process that captures correlations between low-cost approximations and expensive high-fidelity evaluations. A cost-aware acquisition strategy, augmented with cooldown and promotion mechanisms, adaptively guides the allocation of samples across fidelities. The framework is validated on two distinct industrial process simulators: a plasmid DNA bioprocess in SuperPro Designer and a green fuel synthesis plant in Aspen HYSYS. Results across diverse economic and physical objectives demonstrate that the proposed method substantially reduces the number of high-fidelity simulator evaluations while maintaining competitive optimization performance compared to single-fidelity baselines. These results highlight RS-MFBO as a scalable, simulator-agnostic approach for cost-constrained black-box optimization.

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arXiv AI Papers·há 3 dias☆

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Direct Pass@k Optimization for Thought Pruning: Balancing Quality and Diversity in Test-Time Reasoning↗

Test-time scaling has emerged as a key inference strategy for reasoning models, where a model generates a large number of candidate solutions in the hope of finding at least one correct solution. Running all candidate solutions to completion can be computationally demanding, so recent work prunes the candidate pool after generating only a short prefix, committing further computation only to the surviving candidates. Existing pruning strategies divide broadly into two categories: Quality-based methods assign a score to each partial solution and discard those predicted to ultimately lead to an incorrect final solution, while diversity-based methods select partial solutions that follow different reasoning trajectories and are therefore likely to cover different final solutions. The tension between these two objectives is an instance of exploration versus exploitation, yet little to no prior work on pruning exposes this trade-off directly, let alone optimizes it. In this paper, we introduce a pruning procedure that addresses this trade-off directly by optimizing pass@k over the selected solution pool. In particular, it chooses the pool to maximize the probability that at least one of its partial solutions, when continued to completion, yields a correct answer. Because this objective simultaneously rewards high-quality partial solutions and penalizes redundancy among them, quality and diversity are naturally balanced by the criterion itself rather than through separate ad-hoc design choices. On eight open-weight reasoning models, our method outperforms existing quality-based and diversity-based pruning strategies. The gains are particularly pronounced when the pruning procedure keeps a moderate number of partial solutions for continued generation, highlighting the value of directly balancing quality and diversity during pruning.

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arXiv AI Papers·há 3 dias☆

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