We establish convergence of the training dynamics of residual neural networks (ResNets) to their joint infinite depth L, hidden width M, and embedding dimension D limit. Specifically, we consider ResNets with two-layer perceptron blocks in the maximal local feature update (MLU) regime and prove that, after a bounded number of training steps, the error between the ResNet and its large-scale limit is O(1/L + sqrt(D/(L M)) + 1/sqrt(D)). This error rate is empirically tight when measured in embedding space. For a budget of P = Theta(L M D) parameters, this yields a convergence rate O(P^(-1/6)) for the scalings of (L, M, D) that minimize the bound. Our analysis exploits in an essential way the depth-two structure of residual blocks and applies formally to a broad class of state-of-the-art architectures, including Transformers with bounded key-query dimension. From a technical viewpoint, this work completes the program initiated in the companion paper [Chi25] where it is proved that for a fixed embedding dimension D, the training dynamics converges to a Mean ODE dynamics at rate O(1/L + sqrt(D)/sqrt(L M)). Here, we study the large-D limit of this Mean ODE model and establish convergence at rate O(1/sqrt(D)), yielding the above bound by a triangle inequality. To handle the rich probabilistic structure of the limit dynamics and obtain one of the first rigorous quantitative convergence for a DMFT-type limit, we combine the cavity method with propagation of chaos arguments at a functional level on so-called skeleton maps, which express the weight updates as functions of CLT-type sums from the past.

We present the first linear time complexity randomized algorithms for unbiased approximation of the celebrated family of general random walk kernels (RWKs) for sparse graphs. This includes both labelled and unlabelled instances. The previous fastest methods for general RWKs were of cubic time complexity and not applicable to labelled graphs. Our method samples dependent random walks to compute novel graph embeddings in $\mathbb{R}^d$ whose dot product is equal to the true RWK in expectation. It does so without instantiating the direct product graph in memory, meaning we can scale to massive datasets that cannot be stored on a single machine. We derive exponential concentration bounds to prove that our estimator is sharp, and show that the ability to approximate general RWKs (rather than just special cases) unlocks efficient implicit graph kernel learning. Our method is up to $\mathbf{27\times}$ faster than its counterparts for efficient computation on large graphs and scales to graphs $\mathbf{128 \times}$ bigger than largest examples amenable to brute-force computation.

Graph kernels used to be the dominant approach to feature engineering for structured data, which are superseded by modern GNNs as the former lacks learnability. Recently, a suite of Kernel Convolution Networks (KCNs) successfully revitalized graph kernels by introducing learnability, which convolves input with learnable hidden graphs using a certain graph kernel. The random walk kernel (RWK) has been used as the default kernel in many KCNs, gaining increasing attention. In this paper, we first revisit the RWK and its current usage in KCNs, revealing several shortcomings of the existing designs, and propose an improved graph kernel RWK+, by introducing color-matching random walks and deriving its efficient computation. We then propose RWK+CN, a KCN that uses RWK+ as the core kernel to learn descriptive graph features with an unsupervised objective, which can not be achieved by GNNs. Further, by unrolling RWK+, we discover its connection with a regular GCN layer, and propose a novel GNN layer RWK+Conv. In the first part of experiments, we demonstrate the descriptive learning ability of RWK+CN with the improved random walk kernel RWK+ on unsupervised pattern mining tasks; in the second part, we show the effectiveness of RWK+ for a variety of KCN architectures and supervised graph learning tasks, and demonstrate the expressiveness of RWK+Conv layer, especially on the graph-level tasks. RWK+ and RWK+Conv adapt to various real-world applications, including web applications such as bot detection in a web-scale Twitter social network, and community classification in Reddit social interaction networks.

We propose a learning framework for graph kernels, which is theoretically grounded on regularizing optimal transport. This framework provides a novel optimal transport distance metric, namely Regularized Wasserstein (RW) discrepancy, which can preserve both features and structure of graphs via Wasserstein distances on features and their local variations, local barycenters and global connectivity. Two strongly convex regularization terms are introduced to improve the learning ability. One is to relax an optimal alignment between graphs to be a cluster-to-cluster mapping between their locally connected vertices, thereby preserving the local clustering structure of graphs. The other is to take into account node degree distributions in order to better preserve the global structure of graphs. We also design an efficient algorithm to enable a fast approximation for solving the optimization problem. Theoretically, our framework is robust and can guarantee the convergence and numerical stability in optimization. We have empirically validated our method using 12 datasets against 16 state-of-the-art baselines. The experimental results show that our method consistently outperforms all state-of-the-art methods on all benchmark databases for both graphs with discrete attributes and graphs with continuous attributes.