Konstantin Riedl

Konstantin Riedl, Timo Klock, Carina Geldhauser et al. · oxford

In this paper, we provide a novel analytical perspective on the theoretical understanding of gradient-based learning algorithms by interpreting consensus-based optimization (CBO), a recently proposed multi-particle derivative-free optimization method, as a stochastic relaxation of gradient descent. Remarkably, we observe that through communication of the particles, CBO exhibits a stochastic gradient descent (SGD)-like behavior despite solely relying on evaluations of the objective function. The fundamental value of such link between CBO and SGD lies in the fact that CBO is provably globally convergent to global minimizers for ample classes of nonsmooth and nonconvex objective functions. Hence, on the one side, we offer a novel explanation for the success of stochastic relaxations of gradient descent by furnishing useful and precise insights that explain how problem-tailored stochastic perturbations of gradient descent (like the ones induced by CBO) overcome energy barriers and reach deep levels of nonconvex functions. On the other side, and contrary to the conventional wisdom for which derivative-free methods ought to be inefficient or not to possess generalization abilities, our results unveil an intrinsic gradient descent nature of heuristics. Instructive numerical illustrations support the provided theoretical insights.

Konstantin Riedl · oxford

In this paper we study consensus-based optimization (CBO), a versatile, flexible and customizable optimization method suitable for performing nonconvex and nonsmooth global optimizations in high dimensions. CBO is a multi-particle metaheuristic, which is effective in various applications and at the same time amenable to theoretical analysis thanks to its minimalistic design. The underlying dynamics, however, is flexible enough to incorporate different mechanisms widely used in evolutionary computation and machine learning, as we show by analyzing a variant of CBO which makes use of memory effects and gradient information. We rigorously prove that this dynamics converges to a global minimizer of the objective function in mean-field law for a vast class of functions under minimal assumptions on the initialization of the method. The proof in particular reveals how to leverage further, in some applications advantageous, forces in the dynamics without loosing provable global convergence. To demonstrate the benefit of the herein investigated memory effects and gradient information in certain applications, we present numerical evidence for the superiority of this CBO variant in applications such as machine learning and compressed sensing, which en passant widen the scope of applications of CBO.

Yutong Chao, Xudong Sun, Konstantin Riedl et al.

In this paper, we study a consensus-based optimization method for nonconvex bi-level optimization, where the objective is to minimize an upper-level function over the set of global minimizers of a lower-level problem. The proposed approach is derivative-free, and constructs its consensus point via smooth quantile selection combined with a Gibbs-type Laplace approximation. We establish convergence guarantees for both the associated \textit{mean-field} dynamics and its \textit{finite-particle} approximation. In particular, under suitable assumptions on smooth quantile localization, error bounds, and stability, we show that the mean-field law reaches any arbitrary prescribed Wasserstein neighborhood of the target bi-level solution with an explicit exponential rate up to the hitting time. Numerical experiments on a two-dimensional constrained problem and neural network training further support the theoretical results.

Albert Alcalde, Leon Bungert, Konstantin Riedl et al.

Transformers with self-attention modules as their core components have become an integral architecture in modern large language and foundation models. In this paper, we study the evolution of tokens in deep encoder-only transformers at inference time which is described in the large-token limit by a mean-field continuity equation. Leveraging ideas from the convergence analysis of interacting multi-particle systems, with particles corresponding to tokens, we prove that the token distribution rapidly concentrates onto the push-forward of the initial distribution under a projection map induced by the key, query, and value matrices, and remains metastable for moderate times. Specifically, we show that the Wasserstein distance of the two distributions scales like $\sqrt{{\log(β+1)}/β}\exp(Ct)+\exp(-ct)$ in terms of the temperature parameter $β^{-1}\to 0$ and inference time $t\geq 0$. For the proof, we establish Lyapunov-type estimates for the zero-temperature equation, identify its limit as $t\to\infty$, and employ a stability estimate in Wasserstein space together with a quantitative Laplace principle to couple the two equations. Our result implies that for time scales of order $\logβ$ the token distribution concentrates at the identified limiting distribution. Numerical experiments confirm this and, beyond that, complement our theory by showing that for finite $β$ and large $t$ the dynamics enter a different terminal phase, dominated by the spectrum of the value matrix.

Konstantin Riedl, Konstantinos Spiliopoulos, Justin Sirignano

A convergence analysis is developed for the regularized Newton method for training neural networks (NNs) in the overparameterized limit. As the number of hidden units tends to infinity, the NN training dynamics converge in probability to the solution of a deterministic limit equation involving a ``Newton neural tangent kernel'' (NNTK). Explicit rates characterizing this convergence are provided and, in the infinite-width limit, we prove that the NN converges exponentially fast to the target data (i.e., a global minimizer with zero loss). We show that this convergence is uniform across the frequency spectrum, addressing the spectral bias inherent in gradient descent. The eigenvalues of the NTK for gradient descent accumulate at zero, leading to slow convergence for target data with high-frequency components. In contrast, the NNTK has uniformly lower bounded eigenvalues if the regularization parameter is selected appropriately, allowing Newton's method to converge more quickly for data with high-frequency components. Mathematical challenges that need to be addressed in our analysis include the implicit parameter update of the Newton method with a potentially indefinite Hessian matrix and the fact that the dimension of this linear system of equations tends to infinity as the NN width grows. This complicates deriving the training dynamics in the overparameterized limit as well as proving the convergence of the finite-width dynamics thereto. The analysis identifies a scaling formula for selecting the regularization parameter, which we show can vanish at a suitable rate as the number of hidden units becomes larger. We prove that, for sufficiently large numbers of hidden units, the regularized Hessian remains positive definite during training and the Newton updates for individual NN parameters converge to zero, showing that the model behaves as a linearization around the initialization.

Nicolás García Trillos, Aditya Kumar Akash, Sixu Li et al. · oxford

Adversarial attacks pose significant challenges in many machine learning applications, particularly in the setting of distributed training and federated learning, where malicious agents seek to corrupt the training process with the goal of jeopardizing and compromising the performance and reliability of the final models. In this paper, we address the problem of robust federated learning in the presence of such attacks by formulating the training task as a bi-level optimization problem. We conduct a theoretical analysis of the resilience of consensus-based bi-level optimization (CB$^2$O), an interacting multi-particle metaheuristic optimization method, in adversarial settings. Specifically, we provide a global convergence analysis of CB$^2$O in mean-field law in the presence of malicious agents, demonstrating the robustness of CB$^2$O against a diverse range of attacks. Thereby, we offer insights into how specific hyperparameter choices enable to mitigate adversarial effects. On the practical side, we extend CB$^2$O to the clustered federated learning setting by proposing FedCB$^2$O, a novel interacting multi-particle system, and design a practical algorithm that addresses the demands of real-world applications. Extensive experiments demonstrate the robustness of the FedCB$^2$O algorithm against label-flipping attacks in decentralized clustered federated learning scenarios, showcasing its effectiveness in practical contexts.

Konstantin Riedl, Justin Sirignano, Konstantinos Spiliopoulos · oxford

Many engineering and scientific fields have recently become interested in modeling terms in partial differential equations (PDEs) with neural networks, which requires solving the inverse problem of learning neural network terms from observed data in order to approximate missing or unresolved physics in the PDE model. The resulting neural-network PDE model, being a function of the neural network parameters, can be calibrated to the available ground truth data by optimizing over the PDE using gradient descent, where the gradient is evaluated in a computationally efficient manner by solving an adjoint PDE. These neural PDE models have emerged as an important research area in scientific machine learning. In this paper, we study the convergence of the adjoint gradient descent optimization method for training neural PDE models in the limit where both the number of hidden units and the training time tend to infinity. Specifically, for a general class of nonlinear parabolic PDEs with a neural network embedded in the source term, we prove convergence of the trained neural-network PDE solution to the target data (i.e., a global minimizer). The global convergence proof poses a unique mathematical challenge that is not encountered in finite-dimensional neural network convergence analyses due to (i) the neural network training dynamics involving a non-local neural network kernel operator in the infinite-width hidden layer limit where the kernel lacks a spectral gap for its eigenvalues and (ii) the nonlinearity of the limit PDE system, which leads to a non-convex optimization problem in the neural network function even in the infinite-width hidden layer limit (unlike in typical neural network training cases where the optimization problem becomes convex in the large neuron limit). The theoretical results are illustrated and empirically validated by numerical studies.