12 accepted papers
We propose *refined GRFs* (GRFs++), a new class of *Graph Random Features* (GRFs) for efficient and accurate computations involving kernels defined on the nodes of a graph. GRFs++ resolve some of the long-standing limitations of regular GRFs, including difficulty modeling relationships between more …
We study the application of graph random features (GRFs) – a recently-introduced stochastic estimator of graph node kernels – to scalable Gaussian processes on discrete input spaces. We prove that (under mild assumptions) Bayesian inference with GRFs enjoys $\mathcal{O}(N^{3/2})$ time complexity wit…
We study the extent to which rotary position encodings (RoPE), a recent transformer position encoding algorithm broadly adopted in large language models (LLMs) and vision transformers (ViTs), can be applied to graph-structured data. We find that rotating tokens depending on the spectrum of the graph…
Randomness is an unavoidable part of training deep learning models, yet something that traditional training data attribution algorithms fail to rigorously account for. They ignore the fact that, due to stochasticity in the initialisation and batching, training on the same dataset can yield different…
We introduce $\textbf{STRING}$: Separable Translationally Invariant Position Encodings. STRING extends Rotary Position Encodings, a recently proposed and widely used algorithm in large language models, via a unifying theoretical framework. Importantly, STRING still provides $\textbf{exact}$ translat…
When training transformers on graph-structured data, incorporating information about the underlying topology is crucial for good performance. Topological masking, a type of relative position encoding, achieves this by upweighting or downweighting attention depending on the relationship between the q…
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 comple…
Random features (RFs) are a popular technique to scale up kernel methods in machine learning, replacing exact kernel evaluations with stochastic Monte Carlo estimates. They underpin models as diverse as efficient transformers (by approximating attention) to sparse spectrum Gaussian processes (by app…
We propose a novel random walk-based algorithm for unbiased estimation of arbitrary functions of a weighted adjacency matrix, coined general graph random features (g-GRFs). This includes many of the most popular examples of kernels defined on the nodes of a graph. Our algorithm enjoys subquadratic…
We present a novel quasi-Monte Carlo mechanism to improve graph-based sampling, coined repelling random walks. By inducing correlations between the trajectories of an interacting ensemble such that their marginal transition probabilities are unmodified, we are able to explore the graph more efficie…
We present a novel mechanism to improve the accuracy of the recently-introduced class of graph random features (GRFs). Our method induces negative correlations between the lengths of the algorithm's random walks by imposing antithetic termination: a procedure to sample more diverse random walks whic…
We present Simplex Random Features (SimRFs), a new random feature (RF) mechanism for unbiased approximation of the softmax and Gaussian kernels by geometrical correlation of random projection vectors. We prove that SimRFs provide the smallest possible mean square error (MSE) on unbiased estimates of…