Fixed-point acceleration on Neural Wasserstein manifolds
Authors: Vitalii Aksenov, Sebastian Gutierrez Hernandez
Organizations: Weierstrass Institute for Applied Analysis and Stochastics (WIAS), Address: Anton-Wilhelm-Amo-Str. 39, 10117 Berlin, Germany. · Georgia Institute of Technology, Address: 686 Cherry St NW, GA 30332, Atlanta, United States
We propose a fixed-point acceleration method for optimization over probability measures, applicable to a variety of machine learning problems. We represent probability measures as pushforwards of a reference distribution through a neural network map and equip the parameter space with the induced pullback Wasserstein metric. This geometric structure allows natural gradient descent to be interpreted as a fixed-point iteration on a Riemannian manifold. We accelerate this iteration using Riemannian Anderson mixing method, which exploits historical residuals to capture approximate second-order information without forming Hessians. In the present parametric setting, the manifold is represented by Euclidean coordinates endowed with a point-dependent metric, simplifying retraction and vector transport. We evaluate the method on multimodal sampling, PDE-based inverse problems, aggregation dynamics, Bayesian logistic regression, and generative modeling. Across the tested tasks, Anderson mixing reduces the number of natural-gradient iterations and achieves competitive performance relative to SGD and Adam in terms of both loss-gradient evaluations and wall-clock time. These results suggest that fixed-point acceleration is an efficient tool for improving the computational efficiency of training on parametric Wasserstein methods.
Figures & tables
Xk=[θi−θi−1],Rk=[ri−ri−1],i=k,…,k−mk+1.
Algorithm 1 Riemannian Anderson Mixing on Θ
Figure 1: Empirical assessment of Assumption 3.1 . Estimated minimal eigenvalue and condition number stay bounded away from 0 and ∞ in the unit ball around the fixed-point. See Appendix C.3 for detailed description.
Figure 2: Multimodal sampling. (a,c): samples from best trained models and contour lines of target potentials. (b,d): energy decay vs. iteration. RAM improves the convergence of NGD.
Figure 4
Figure 4: Bayesian logistic regression convergence across eight benchmark datasets. Each panel compares NGD with the top five RAM configurations from the hyperparameter sweep for 3 seeds. RAM reaches the low-energy regime in fewer iterations than NGD.
Figure 5: Convergence diagnostics for the aggregation-energy problem.
Figure 6: Performance in generative problems.
Problem
MMDk2
NGD
RAM
β
β=1
best
Checkerboard
0.01
8500
4000
500
3
Two spirals
0.01
12000
3800
2200
3
8 Gaussians
0.001
2500
1750
600
3
Table 2: Number of iterations to convergence in the generative problems
Table 3: Network architectures and optimizer parameters used in the experiments.
Figure 7: RAM and NGD compared with SGD and Adam on DB.
Figure 8: (a-c): Scatter plots for Adam after 104 iterations with varied learning rate h . Mode collapse and numerical artifacts are clearly present in the samples. (d) Solution with RAM exhibits correct structure and relative weight of the modes.
Dataset
Number of features
Dataset size
banana
2
5300
diabetes
8
768
german
20
1000
image
18
2086
ringnorm
20
7400
splice
60
2991
Appendix
Table 4: Dataset statistics for the Bayesian logistic regression benchmark.
Accuracy ↑
Log-likelihood ↑
Dataset
NGD
RAM
VWGF
JKO-ICNN
SVGD
NGD
RAM
VWGF
JKO-ICNN
SVGD
banana
0.565
0.540
0.550
0.550
0.540
-0.688
-0.692
-0.690
-0.690
-0.690
diabetes
0.753
0.753
0.786
0.775
0.780
-0.558
-0.557
-0.450
-0.450
-0.460
german
0.742
0.750
0.670
0.670
0.650
-0.552
-0.561
-0.590
-0.600
-0.600
image
0.821
0.820
0.866
0.820
0.815
-0.435
-0.435
-0.394
-0.430
-0.440
ringnorm
0.758
0.764
0.730
0.740
0.740
-0.520
-0.509
-0.500
-0.500
-0.500
Appendix
Table 5: Bayesian logistic-regression test performance. We report test accuracy and average test log-likelihood. RAM uses the representative configuration (m,β,λ)=(12,2.0,0.01) . VWGF and JKO-ICNN results are from [ 28 ] ; SVGD results are from [ 57 ] .
Figure 9: Bayesian logistic regression convergence as a function of MVP. RAM reaches a low-energy regime with fewer MVPs.
Optimization over the space of probability measures endowed with the Wasserstein-2 geometry is central to modern machine learning and mean-field modeling. However, traditional methods relying on full Wasserstein gradients often suffer from high computational overhead in high-dimensional or ill-conditioned settings. We propose a randomized coordinate descent framework specifically designed for the Wasserstein manifold, introducing both Random Wasserstein Coordinate Descent (RWCD) and Random Wasserstein Coordinate Proximal{-Gradient} (RWCP) for composite objectives. By exploiting coordinate-wise structures, our methods adapt to anisotropic objective landscapes where full-gradient approaches typically struggle. We provide a rigorous convergence analysis across various landscape geometries, establishing guarantees under non-convex, Polyak-Łojasiewicz, and geodesically convex conditions. Our theoretical results mirror the classic convergence properties found in Euclidean space, revealing a compelling symmetry between coordinate descent on vectors and on probability measures. The developed techniques are inherently adaptive to the Wasserstein geometry and offer a robust analytical template that can be extended to other optimization solvers within the space of measures. Numerical experiments on ill-conditioned energies demonstrate that our framework offers significant speedups over conventional full-gradient methods.
Yewei Xu, Qin Li
Department of Mathematics, University of Wisconsin-Madison, Madison, WI 53706-1388, USA
The natural gradient method is a central tool for statistical optimisation, but its broader application is hindered by the assumption of a Euclidean parameter space, the repeated estimation of the Fisher information matrix (FIM), and the computational cost of its subsequent inversion. This paper proposes an intrinsic, inversion-free natural gradient method for statistical models whose parameters lie on general Riemannian manifolds. Formulating statistical optimisation in this non-Euclidean setting allows for the natural enforcement of parameter constraints, the elimination of non-identifiable parameters, and the exploitation of geodesic convexity. Our algorithm is based on a moving approximation of the inverse FIM, which is maintained directly on the manifold. This approximation is efficiently updated with new score vectors using low-rank matrix identities. We prove almost-sure convergence rates of O(logs/sα) for the sequence of iterates, and a similar rate for the approximate FIM. A limited-memory variant with sub-quadratic storage complexity is further proposed for large-scale applications. We demonstrate the efficacy of our method on variational Bayes within the Bures-Wasserstein manifold, normalising flows on the Stiefel manifold, and reduced-rank logistic regression.
Dario Draca, Takuo Matsubara, Minh-Ngoc Tran
School of Mathematics and Statistics, University of Sydney, Australia · University of Sydney Business School, Australia
In recent years, the machine learning community has increasingly embraced the optimal transport (OT) framework for modeling distributional relationships. In this work, we introduce a sample-based neural solver for computing the Wasserstein geodesic between a source and target distribution, along with the associated velocity field. Building on the dynamical formulation of the optimal transport (OT) problem, we recast the constrained optimization as a minimax problem, using deep neural networks to approximate the relevant functions. This approach not only provides the Wasserstein geodesic but also recovers the OT map, enabling direct sampling from the target distribution. By estimating the OT map, we obtain velocity estimates along particle trajectories, which in turn allow us to learn the full velocity field. The framework is flexible and readily extends to general cost functions, including the commonly used quadratic cost. We demonstrate the effectiveness of our method through experiments on both synthetic and real datasets.
Hailiang Liu, Yan-Han Chen
Department of Mathematics, Iowa State University, Ames, IA 50011, USA. · Department of Statistics, Iowa State University, Ames, IA 50011, USA.