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Deep learning is adaptive to intrinsic dimensionality of model smoothness in anisotropic Besov space
Deep learning has exhibited superior performance for various tasks, especially for high-dimensional datasets, such as images. To understand this property, we investigate the approximation and estimation ability of deep learning on anisotropic Besov spaces. The anisotropic Besov space is characterized by direction-dependent smoothness and includes several function classes that have been investigated thus far. We demonstrate that the approximation error and estimation error of deep learning only depend on the average value of the smoothness parameters in all directions. Consequently, the curse of dimensionality can be avoided if the smoothness of the target function is highly anisotropic. Unlike existing studies, our analysis does not require a low-dimensional structure of the input data. We also investigate the minimax optimality of deep learning and compare its performance with that of the kernel method (more generally, linear estimators). The results show that deep learning has better dependence on the input dimensionality if the target function possesses anisotropic smoothness, and it achieves an adaptive rate for functions with spatially inhomogeneous smoothness.
Efficiently Factorizing Boolean Matrices using Proximal Gradient Descent
Addressing the interpretability problem of NMF on Boolean data, Boolean Matrix Factorization (BMF) uses Boolean algebra to decompose the input into low-rank Boolean factor matrices. These matrices are highly interpretable and very useful in practice, but they come at the high computational cost of solving an NP-hard combinatorial optimization problem. To reduce the computational burden, we propose to relax BMF continuously using a novel elastic-binary regularizer, from which we derive a proximal gradient algorithm. Through an extensive set of experiments, we demonstrate that our method works well in practice: On synthetic data, we show that it converges quickly, recovers the ground truth precisely, and estimates the simulated rank exactly. On real-world data, we improve upon the state of the art in recall, loss, and runtime, and a case study from the medical domain confirms that our results are easily interpretable and semantically meaningful.
Differentiable Analog Quantum Computing for Optimization and Control
We formulate the first differentiable analog quantum computing framework with specific parameterization design at the analog signal (pulse) level to better exploit near-term quantum devices via variational methods. We further propose a scalable approach to estimate the gradients of quantum dynamics using a forward pass with Monte Carlo sampling, which leads to a quantum stochastic gradient descent algorithm for scalable gradient-based training in our framework. Applying our framework to quantum optimization and control, we observe a significant advantage of differentiable analog quantum computing against SOTAs based on parameterized digital quantum circuits by orders of magnitude.
EvenNet: Ignoring Odd-Hop Neighbors Improves Robustness of Graph Neural Networks
Graph Neural Networks (GNNs) have received extensive research attention for their promising performance in graph machine learning. Despite their extraordinary predictive accuracy, existing approaches, such as GCN and GPRGNN, are not robust in the face of homophily changes on test graphs, rendering these models vulnerable to graph structural attacks and with limited capacity in generalizing to graphs of varied homophily levels. Although many methods have been proposed to improve the robustness of GNN models, the majority of these techniques are restricted to the spatial domain and employ complicated defense mechanisms, such as learning new graph structures or calculating edge attention. In this paper, we study the problem of designing simple and robust GNN models in the spectral domain. We propose EvenNet, a spectral GNN corresponding to an even-polynomial graph filter. Based on our theoretical analysis in both spatial and spectral domains, we demonstrate that EvenNet outperforms full-order models in generalizing across homophilic and heterophilic graphs, implying that ignoring odd-hop neighbors improves the robustness of GNNs. We conduct experiments on both synthetic and real-world datasets to demonstrate the effectiveness of EvenNet. Notably, EvenNet outperforms existing defense models against structural attacks without introducing additional computational costs and maintains competitiveness in traditional node classification tasks on homophilic and heterophilic graphs.
The alignment property of SGD noise and how it helps select flat minima: A stability analysis
The phenomenon that stochastic gradient descent (SGD) favors flat minima has played a critical role in understanding the implicit regularization of SGD. In this paper, we provide an explanation of this striking phenomenon by relating the particular noise structure of SGD to its linear stability (Wu et al., 2018). Specifically, we consider training over-parameterized models with square loss. We prove that if a global minimum θ is linearly stable for SGD, then it must satisfy H(θ) F O( B/η), where H(θ) F,B,η denote the Frobenius norm of Hessian at θ, batch size, and learning rate, respectively. Otherwise, SGD will escape from that minimum exponentially fast. Hence, for minima accessible to SGD, the sharpness--as measured by the Frobenius norm of the Hessian--is bounded independently of the model size and sample size. The key to obtaining these results is exploiting the particular structure of SGD noise: The noise concentrates in sharp directions of local landscape and the magnitude is proportional to loss value. This alignment property of SGD noise provably holds for linear networks and random feature models (RFMs), and is empirically verified for nonlinear networks. Moreover, the validity and practical relevance of our theoretical findings are also justified by extensive experiments on CIFAR-10 dataset.