Philipp Wacker

Claudia Schillings, Claudia Totzeck, Philipp Wacker

We propose an approach based on function evaluations and Bayesian inference to extract higher-order differential information of objective functions {from a given ensemble of particles}. Pointwise evaluation $\{V(x^i)\}_i$ of some potential $V$ in an ensemble $\{x^i\}_i$ contains implicit information about first or higher order derivatives, which can be made explicit with little computational effort (ensemble-based gradient inference -- EGI). We suggest to use this information for the improvement of established ensemble-based numerical methods for optimization and sampling such as Consensus-based optimization and Langevin-based samplers. Numerical studies indicate that the augmented algorithms are often superior to their gradient-free variants, in particular the augmented methods help the ensembles to escape their initial domain, to explore multimodal, non-Gaussian settings and to speed up the collapse at the end of optimization dynamics.} The code for the numerical examples in this manuscript can be found in the paper's Github repository (https://github.com/MercuryBench/ensemble-based-gradient.git).

Leon Bungert, Tim Roith, Philipp Wacker

In this paper we propose polarized consensus-based dynamics in order to make consensus-based optimization (CBO) and sampling (CBS) applicable for objective functions with several global minima or distributions with many modes, respectively. For this, we ``polarize'' the dynamics with a localizing kernel and the resulting model can be viewed as a bounded confidence model for opinion formation in the presence of common objective. Instead of being attracted to a common weighted mean as in the original consensus-based methods, which prevents the detection of more than one minimum or mode, in our method every particle is attracted to a weighted mean which gives more weight to nearby particles. We prove that in the mean-field regime the polarized CBS dynamics are unbiased for Gaussian targets. We also prove that in the zero temperature limit and for sufficiently well-behaved strongly convex objectives the solution of the Fokker--Planck equation converges in the Wasserstein-2 distance to a Dirac measure at the minimizer. Finally, we propose a computationally more efficient generalization which works with a predefined number of clusters and improves upon our polarized baseline method for high-dimensional optimization.

Tim Roith, Leon Bungert, Philipp Wacker

Consensus-based optimization (CBO) has established itself as an efficient gradient-free optimization scheme, with attractive mathematical properties, such as mean-field convergence results for non-convex loss functions. In this work, we study CBO in the context of closed-box adversarial attacks, which are imperceptible input perturbations that aim to fool a classifier, without accessing its gradient. Our contribution is to establish a connection between the so-called consensus hopping as introduced by Riedl et al. and natural evolution strategies (NES) commonly applied in the context of adversarial attacks and to rigorously relate both methods to gradient-based optimization schemes. Beyond that, we provide a comprehensive experimental study that shows that despite the conceptual similarities, CBO can outperform NES and other evolutionary strategies in certain scenarios.

Robert Gruhlke, Matei Hanu, Claudia Schillings et al.

We introduce a gradient-free framework for Bayesian Optimal Experimental Design (BOED) in sequential settings, aimed at complex systems where gradient information is unavailable. Our method combines Ensemble Kalman Inversion (EKI) for design optimization with the Affine-Invariant Langevin Dynamics (ALDI) sampler for efficient posterior sampling-both of which are derivative-free and ensemble-based. To address the computational challenges posed by nested expectations in BOED, we propose variational Gaussian and parametrized Laplace approximations that provide tractable upper and lower bounds on the Expected Information Gain (EIG). These approximations enable scalable utility estimation in high-dimensional spaces and PDE-constrained inverse problems. We demonstrate the performance of our framework through numerical experiments ranging from linear Gaussian models to PDE-based inference tasks, highlighting the method's robustness, accuracy, and efficiency in information-driven experimental design.