Optimization
Active Learning and Explainable AI for Multi-Objective Optimization of Spin Coated Polymers
Young, Brendan, Alvey, Brendan, Werbrouck, Andreas, Murphy, Will, Keller, James, Young, Matthias J., Maschmann, Matthew
Spin coating polymer thin films to achieve specific mechanical properties is inherently a multi-objective optimization problem. We present a framework that integrates an active Pareto front learning algorithm (PyePAL) with visualization and explainable AI techniques to optimize processing parameters. PyePAL uses Gaussian process models to predict objective values (hardness and elasticity) from the design variables (spin speed, dilution, and polymer mixture), guiding the adaptive selection of samples toward promising regions of the design space. To enable interpretable insights into the high-dimensional design space, we utilize UMAP (Uniform Manifold Approximation and Projection) for two-dimensional visualization of the Pareto front exploration. Additionally, we incorporate fuzzy linguistic summaries, which translate the learned relationships between process parameters and performance objectives into linguistic statements, thus enhancing the explainability and understanding of the optimization results. Experimental results demonstrate that our method efficiently identifies promising polymer designs, while the visual and linguistic explanations facilitate expert-driven analysis and knowledge discovery.
Cautious Optimism: A Meta-Algorithm for Near-Constant Regret in General Games
Soleymani, Ashkan, Piliouras, Georgios, Farina, Gabriele
We introduce Cautious Optimism, a framework for substantially faster regularized learning in general games. Cautious Optimism, as a variant of Optimism, adaptively controls the learning pace in a dynamic, non-monotone manner to accelerate no-regret learning dynamics. Cautious Optimism takes as input any instance of Follow-the-Regularized-Leader (FTRL) and outputs an accelerated no-regret learning algorithm (COFTRL) by pacing the underlying FTRL with minimal computational overhead. Importantly, it retains uncoupledness, that is, learners do not need to know other players' utilities. Cautious Optimistic FTRL (COFTRL) achieves near-optimal $O_T(\log T)$ regret in diverse self-play (mixing and matching regularizers) while preserving the optimal $O_T(\sqrt{T})$ regret in adversarial scenarios. In contrast to prior works (e.g., Syrgkanis et al. [2015], Daskalakis et al. [2021]), our analysis does not rely on monotonic step sizes, showcasing a novel route for fast learning in general games. Moreover, instances of COFTRL achieve new state-of-the-art regret minimization guarantees in general convex games, exponentially improving the dependence on the dimension of the action space $d$ over previous works [Farina et al., 2022a].
Dual Riemannian Newton Method on Statistical Manifolds
Zhou, Derun, Yano, Keisuke, Sugiyama, Mahito
In probabilistic modeling, parameter estimation is commonly formulated as a minimization problem on a parameter manifold. Optimization in such spaces requires geometry-aware methods that respect the underlying information structure. While the natural gradient leverages the Fisher information metric as a form of Riemannian gradient descent, it remains a first-order method and often exhibits slow convergence near optimal solutions. Existing second-order manifold algorithms typically rely on the Levi-Civita connection, thus overlooking the dual-connection structure that is central to information geometry. We propose the dual Riemannian Newton method, a Newton-type optimization algorithm on manifolds endowed with a metric and a pair of dual affine connections. The dual Riemannian Newton method explicates how duality shapes second-order updates: when the retraction (a local surrogate of the exponential map) is defined by one connection, the associated Newton equation is posed with its dual. We establish local quadratic convergence and validate the theory with experiments on representative statistical models. Thus, the dual Riemannian Newton method thus delivers second-order efficiency while remaining compatible with the dual structures that underlie modern information-geometric learning and inference.
3ce257b311e5acf849992f5a675188e8-AuthorFeedback.pdf
We thank the reviewers for the positive comments and useful feedback. We provide responses to the main comments. Connections to Cotter et al: There are two main differences between our paper and Cotter et al. (2019a;b): Code: We will make Tensorflow code available. We will include a discussion on surrogates in Section 2. Non-Differentiable Constraints with Applications to Fairness, Recall, Churn, and Other Goals.