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A functional central limit theorem for kernel gradient flow and infinitesimal gradient boosting

arXiv.org Machine Learning

Building on the large-sample analysis of infinitesimal gradient boosting (Dombry and Duchamps, 2024b), we study the fluctuations of the process around its deterministic limit and establish a functional central limit theorem: the rescaled deviations converge in distribution to a Gaussian process. The analysis is carried out in a reproducing kernel Hilbert space (RKHS) naturally associated with the softmax gradient tree base learner, in which the boosting process is characterized as the solution of an autonomous ordinary differential equation (ODE). The proof rests on a general stochastic perturbation analysis of ODEs in Banach spaces, which is of independent interest: whenever a sequence of vector fields converges and satisfies a central limit theorem, so does the associated ODE solution. We first illustrate this perturbation approach in the simpler setting of kernel gradient flow, where the Gaussian limit admits an explicit characterization, and then consider the more complicated tree-based gradient boosting setting.


Neural Hamiltonian Diffusions for Modeling Structured Geometric Dynamics Sungwoo Park Department of Computer Science and Engineering Korea University sungwoo_park@korea.ac.kr

Neural Information Processing Systems

We propose Neural Hamiltonian Diffusion (NHD), a unified framework for learning stochastic Hamiltonian dynamics on differentiable manifolds. Unlike conventional Hamiltonian Neural Networks (HNNs), which assume noise-free dynamics in flat Euclidean spaces, our approach models stochastic differential equations (SDEs) on curved manifolds endowed with both a Riemannian metric and a Poisson structure. Specifically, we parameterize a neural Hamiltonian and define the dynamics via a Stratonovich SDE whose drift is the Poisson vector field lifted horizontally to the orthonormal frame bundle. This construction ensures coordinate-invariant, gaugeconsistent dynamics across (pseudo-)Riemannian manifolds, enabling physically plausible modeling in systems with geometric constraints, periodicity, or relativistic structure. We establish generalization guarantees under curvature-dependent complexity and demonstrate applications across diverse scientific domains, including toroidal molecular dynamics, quantum spin systems, and relativistic n-body problems in Schwarzschild spacetime.


Diffusion Generative Modeling on Lie Group Representations

Neural Information Processing Systems

We introduce a novel class of score-based diffusion processes that operate directly in the representation space of Lie groups. Leveraging the framework of Generalized Score Matching, we derive a class of Langevin dynamics that decomposes as a direct sum of Lie algebra representations, enabling the modeling of any target distribution on any (non-Abelian) Lie group. Standard score-matching emerges as a special case of our framework when the Lie group is the translation group. We prove that our generalized generative processes arise as solutions to a new class of paired stochastic differential equations (SDEs), introduced here for the first time.


When and how can inexact generative models still sample from the data manifold?

Neural Information Processing Systems

A curious phenomenon observed in some dynamical generative models is the following: despite learning errors in the score function or the drift vector field, the generated samples appear to shift along the support of the data distribution but not away from it. In this work, we investigate this phenomenon of robustness of the support by taking a dynamical systems approach on the generating stochastic/deterministic process. Our perturbation analysis of the probability flow reveals that infinitesimal learning errors cause the predicted density to be different from the target density only on the data manifold for a wide class of generative models. Further, what is the dynamical mechanism that leads to the robustness of the support? We show that the alignment of the top Lyapunov vectors (most sensitive infinitesimal perturbation directions) with the tangent spaces along the boundary of the data manifold leads to robustness and prove a sufficient condition on the dynamics of the generating process to achieve this alignment. Moreover, the alignment condition is efficient to compute and, in practice, for robust generative models, automatically leads to accurate estimates of the tangent bundle of the data manifold. Using a finite-time linear perturbation analysis on samples paths as well as probability flows, our work complements and extends existing works on obtaining theoretical guarantees for generative models from a stochastic analysis, statistical learning and uncertainty quantification points of view. Our results apply across different dynamical generative models, such as conditional flow-matching and score-based generative models, and for different target distributions that may or may not satisfy the manifold hypothesis.


Structured Linear CDEs: Maximally Expressive and Parallel-in-Time Sequence Models

Neural Information Processing Systems

This work introduces Structured Linear Controlled Differential Equations (SLiCEs), a unifying framework for sequence models with structured, input-dependent statetransition matrices that retain the maximal expressivity of dense matrices whilst being cheaper to compute. The framework encompasses existing architectures, such as input-dependent block-diagonal linear recurrent neural networks and DeltaNet's diagonal-plus-low-rank structure, as well as two novel variants based on sparsity and the Walsh-Hadamard transform. We prove that, unlike the diagonal statetransition matrices of S4D and Mamba, SLiCEs employing block-diagonal, sparse, or Walsh-Hadamard matrices match the maximal expressivity of dense matrices. Empirically, SLiCEs solve the A5 state-tracking benchmark with a single layer, achieve best-in-class length generalisation on regular language tasks among parallelin-time models, and match the performance of log neural controlled differential equations on six multivariate time-series classification datasets while cutting the average time per training step by a factor of twenty.


A First-Order Mean Field Control Analysis of Transformer Layers under Cross-Entropy Training

arXiv.org Machine Learning

We study Transformer-type residual layers under cross-entropy training through a continuous-depth mean field control viewpoint. Depth is treated as time, layer parameters as controls, and the residual Transformer recursion as an explicit Euler scheme for a controlled hidden-state flow. For fixed controls, we prove an $O(\varepsilon)$ pathwise approximation of finite-depth trajectories by the continuous flow and combine this with high-probability sampling bounds for the empirical cross-entropy risk. We formulate the limiting population problem as a first-order transport control problem for the law of hidden states and derive a Pontryagin condition whose terminal adjoint contains the softmax residual. We also give finite-class and metric-entropy uniform estimates, compare optimal values, and discuss existence, stability, continuous-to-discrete recovery, initialization, and range estimates for continuous minimizers.


Counterfactual Identifiability via Dynamic Optimal Transport

Neural Information Processing Systems

We address the open question of counterfactual identification for high-dimensional multivariate outcomes from observational data. Pearl (2000) argues that counterfactuals must be identifiable (i.e., recoverable from the observed data distribution) to justify causal claims. A recent line of work on counterfactual inference shows promising results but lacks identification, undermining the causal validity of its estimates. To address this, we establish a foundation for multivariate counterfactual identification using continuous-time flows, including non-Markovian settings under standard criteria. We characterise the conditions under which flow matching yields a unique, monotone, and rank-preserving counterfactual transport map with tools from dynamic optimal transport, ensuring consistent inference. Building on this, we validate the theory in controlled scenarios with counterfactual ground-truth and demonstrate improvements in axiomatic counterfactual soundness on real images.


Riemannian Consistency Model

Neural Information Processing Systems

Consistency models are a class of generative models that enable few-step generation for diffusion and flow matching models. While consistency models have achieved promising results on Euclidean domains like images, their applications to Riemannian manifolds remain challenging due to the curved geometry. In this work, we propose the Riemannian Consistency Model (RCM), which, for the first time, enables few-step consistency modeling while respecting the intrinsic manifold constraint imposed by the Riemannian geometry. Leveraging the covariant derivative and exponential-map-based parameterization, we derive the closed-form solutions for both discrete-and continuous-time training objectives for RCM. We then demonstrate theoretical equivalence between the two variants of RCM: Riemannian consistency distillation (RCD) that relies on a teacher model to approximate the marginal vector field, and Riemannian consistency training (RCT) that utilizes the conditional vector field for training. We further propose a simplified training objective that eliminates the need for the complicated differential calculation. Finally, we provide a unique kinematics perspective for interpreting the RCM objective, offering new theoretical angles.


Topological Flow Matching

arXiv.org Machine Learning

Flow matching is a powerful generative modeling framework, valued for its simplicity and strong empirical performance. However, its standard formulation treats signals on structured spaces, such as fMRI data on brain graphs, as points in Euclidean space, overlooking the rich topological features of their domains. To address this, we introduce topological flow matching, a topology-aware generalization of flow matching. We interpret flow matching as a framework for solving a degenerate Schrödinger bridge problem and inject topological information by augmenting the reference process with a Laplacian-derived drift. This principled modification captures the structure of the underlying domain while preserving the desirable properties of flow matching: a stable, simulation-free objective and deterministic sample paths. As a result, our framework serves as a drop-in replacement for standard flow matching. We demonstrate its effectiveness on diverse structured datasets, including brain fMRIs, ocean currents, seismic events, and traffic flows.


Riemannian Consistency Model

Neural Information Processing Systems

Consistency models are a class of generative models that enable few-step generation for diffusion and flow matching models. While consistency models have achieved promising results on Euclidean domains like images, their applications to Riemannian manifolds remain challenging due to the curved geometry. In this work, we propose the Riemannian Consistency Model (RCM), which, for the first time, enables few-step consistency modeling while respecting the intrinsic manifold constraint imposed by the Riemannian geometry. Leveraging the covariant derivative and exponential-map-based parameterization, we derive the closed-form solutions for both discrete-and continuous-time training objectives for RCM. We then demonstrate theoretical equivalence between the two variants of RCM: Riemannian consistency distillation (RCD) that relies on a teacher model to approximate the marginal vector field, and Riemannian consistency training (RCT) that utilizes the conditional vector field for training. We further propose a simplified training objective that eliminates the need for the complicated differential calculation. Finally, we provide a unique kinematics perspective for interpreting the RCM objective, offering new theoretical angles.