通过条件拉格朗日最优传输,预测神经网络在不同超参下的输出变化轨迹。
Hyperparameter Trajectory Inference with Conditional Lagrangian Optimal Transport
- 基于条件拉格朗日最优传输,联合学习超参变化下的动态规律与映射路径。
- 在多种超参谱上重建输出分布,精度优于现有方法。
- 适合需要快速调整超参且无法重训的部署场景,如强化学习、回归任务。
神经网络常因超参数设置存在关键行为权衡,例如强化学习中的奖励权重或回归中的分位数目标。部署后用户偏好可能演变,导致初始设置不再适用,需昂贵的重新训练。为此,我们提出超参数轨迹推断(HTI)任务:从观测数据中学习神经网络条件输出分布随超参数的变化规律,并构建代理模型以近似未观测超参数设置下的神经网络行为。HTI需扩展现有轨迹推断方法以处理条件信息,加剧了路径可行性挑战。我们提出基于条件拉格朗日最优传输的方法,联合学习控制超参数驱动动态的拉格朗日函数,以及关联的最优传输映射和观测边际间的测地线,构成代理模型。通过引入流形假设和最小作用原理的归纳偏置于学习到的拉格朗日函数,提升代理模型的可行性。实验表明,该方法在多个超参数谱上重构神经网络输出的表现优于其他替代方案。
原文摘要 · Abstract (English)
Neural networks (NNs) often have critical behavioural trade-offs that are set at design time with hyperparameters-such as reward weights in reinforcement learning or quantile targets in regression. Post-deployment, however, user preferences can evolve, making initial settings undesirable, necessitating potentially expensive retraining. To circumvent this, we introduce the task of Hyperparameter Trajectory Inference (HTI): to learn, from observed data, how a NN's conditional output distribution changes with its hyperparameters, and construct a surrogate model that approximates the NN at unobserved hyperparameter settings. HTI requires extending existing trajectory inference approaches to incorporate conditions, exacerbating the challenge of ensuring inferred paths are feasible. We propose an approach based on conditional Lagrangian optimal transport, jointly learning the Lagrangian function governing hyperparameter-induced dynamics along with the associated optimal transport maps and geodesics between observed marginals, which form the surrogate model. We incorporate inductive biases based on the manifold hypothesis and least-action principles into the learned Lagrangian, improving surrogate model feasibility. We empirically demonstrate that our approach reconstructs NN outputs across various hyperparameter spectra better than other alternatives.
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