Enhancing Zero-Shot Black-Box Optimization via Pretrained Models with Efficient Population Modeling, Interaction, and Stable Gradient Approximation

Muqi Han, Xiaobin Li, Kai Wu, Xiaoyu Zhang, Handing Wang

Advances in Neural Information Processing Systems 38 (NeurIPS 2025) Main Conference Track

Zero-shot optimization aims to achieve both generalization and performance gains on solving previously unseen black-box optimization problems over SOTA methods without task-specific tuning. Pre-trained optimization models (POMs) address this challenge by learning a general mapping from task features to optimization strategies, enabling direct deployment on new tasks. In this paper, we identify three essential components that determine the effectiveness of POMs: (1) task feature modeling, which captures structural properties of optimization problems; (2) optimization strategy representation, which defines how new candidate solutions are generated; and (3) the feature-to-strategy mapping mechanism learned during pre-training. However, existing POMs often suffer from weak feature representations, rigid strategy modeling, and unstable training. To address these limitations, we propose EPOM, an enhanced framework for pre-trained optimization. EPOM enriches task representations using a cross-attention-based tokenizer, improves strategy diversity through deformable attention, and stabilizes training by replacing non-differentiable operations with a differentiable crossover mechanism. Together, these enhancements yield better generalization, faster convergence, and more reliable performance in zero-shot black-box optimization.