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Collaborating Authors

 Sun, Baocheng


Is Solving Graph Neural Tangent Kernel Equivalent to Training Graph Neural Network?

arXiv.org Artificial Intelligence

A rising trend in theoretical deep learning is to understand why deep learning works through Neural Tangent Kernel (NTK) [jgh18], a kernel method that is equivalent to using gradient descent to train a multi-layer infinitely-wide neural network. NTK is a major step forward in the theoretical deep learning because it allows researchers to use traditional mathematical tools to analyze properties of deep neural networks and to explain various neural network techniques from a theoretical view. A natural extension of NTK on graph learning is \textit{Graph Neural Tangent Kernel (GNTK)}, and researchers have already provide GNTK formulation for graph-level regression and show empirically that this kernel method can achieve similar accuracy as GNNs on various bioinformatics datasets [dhs+19]. The remaining question now is whether solving GNTK regression is equivalent to training an infinite-wide multi-layer GNN using gradient descent. In this paper, we provide three new theoretical results. First, we formally prove this equivalence for graph-level regression. Second, we present the first GNTK formulation for node-level regression. Finally, we prove the equivalence for node-level regression.


Query Complexity of Active Learning for Function Family With Nearly Orthogonal Basis

arXiv.org Artificial Intelligence

Many machine learning algorithms require large numbers of labeled data to deliver state-of-the-art results. In applications such as medical diagnosis and fraud detection, though there is an abundance of unlabeled data, it is costly to label the data by experts, experiments, or simulations. Active learning algorithms aim to reduce the number of required labeled data points while preserving performance. For many convex optimization problems such as linear regression and $p$-norm regression, there are theoretical bounds on the number of required labels to achieve a certain accuracy. We call this the query complexity of active learning. However, today's active learning algorithms require the underlying learned function to have an orthogonal basis. For example, when applying active learning to linear regression, the requirement is the target function is a linear composition of a set of orthogonal linear functions, and active learning can find the coefficients of these linear functions. We present a theoretical result to show that active learning does not need an orthogonal basis but rather only requires a nearly orthogonal basis. We provide the corresponding theoretical proofs for the function family of nearly orthogonal basis, and its applications associated with the algorithmically efficient active learning framework.