用梯度信息训练优化代理模型,提速同时保证精度与安全约束。
Sobolev Training of End-to-End Optimization Proxies
- 通过Sobolev训练融合求解器梯度,让代理模型既预测准解又匹配变化趋势。
- 在电力系统优化中,误差降56%,最差约束违反降低400%,最优性差距<0.22%。
- 无需标签也能训练,适合缺乏标注数据的金融组合优化等场景。
优化代理模型——通过单次前向传播近似参数化优化问题解映射的机器学习模型——相比传统迭代求解器显著降低推理时间。本文研究通过Sobolev训练范式将求解器敏感性融入端到端代理模型,并在两种不同设置下展开:(i) 全监督代理,可获取精确求解器输出与敏感性;(ii) 自监督代理,仅依赖底层优化问题的目标函数与约束结构。通过在标准训练损失中加入从求解器提取的方向导数信息,使代理模型的预测解及其局部导数与优化器一致。在真解映射满足Lipschitz连续性假设下,匹配一阶敏感性可导致均匀逼近误差与训练集覆盖半径成正比。实验表明,两类设置均有显著提升:在三个大型交流最优潮流基准上,监督Sobolev训练使均方误差最高降低56%,中位最差约束违反最高降低400%,同时保持最优性差距低于0.22%;在无标签解的均值-方差投资组合任务中,自监督Sobolev训练将中等风险区(标准差超过预算10%)的平均最优性差距减半,其余区域表现与基线相当。结果表明,无论监督或自监督,Sobolev训练均为构建高速可靠的安全关键大规模优化代理的有效路径。
原文摘要 · Abstract (English)
Optimization proxies - machine learning models trained to approximate the solution mapping of parametric optimization problems in a single forward pass - offer dramatic reductions in inference time compared to traditional iterative solvers. This work investigates the integration of solver sensitivities into such end to end proxies via a Sobolev training paradigm and does so in two distinct settings: (i) fully supervised proxies, where exact solver outputs and sensitivities are available, and (ii) self supervised proxies that rely only on the objective and constraint structure of the underlying optimization problem. By augmenting the standard training loss with directional derivative information extracted from the solver, the proxy aligns both its predicted solutions and local derivatives with those of the optimizer. Under Lipschitz continuity assumptions on the true solution mapping, matching first order sensitivities is shown to yield uniform approximation error proportional to the training set covering radius. Empirically, different impacts are observed in each studied setting. On three large Alternating Current Optimal Power Flow benchmarks, supervised Sobolev training cuts mean squared error by up to 56 percent and the median worst case constraint violation by up to 400 percent while keeping the optimality gap below 0.22 percent. For a mean variance portfolio task trained without labeled solutions, self supervised Sobolev training halves the average optimality gap in the medium risk region (standard deviation above 10 percent of budget) and matches the baseline elsewhere. Together, these results highlight Sobolev training whether supervised or self supervised as a path to fast reliable surrogates for safety critical large scale optimization workloads.
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