Bayesian optimization (BO), which uses a Gaussian process (GP) as a surrogate to model its objective function, is popular for black-box optimization. However, due to the limitations of GPs, BO underperforms in some pr...
ISBN:
(纸本)9781713871088
Bayesian optimization (BO), which uses a Gaussian process (GP) as a surrogate to model its objective function, is popular for black-box optimization. However, due to the limitations of GPs, BO underperforms in some problems such as those with categorical, high-dimensional or image inputs. To this end, recent works have used the highly expressive neural networks (NNs) as the surrogate model and derived theoretical guarantees using the theory of neural tangent kernel (NTK). However, these works suffer from the limitations of the requirement to invert an extremely large parameter matrix and the restriction to the sequential (rather than batch) setting. To overcome these limitations, we introduce two algorithms based on the Thompson sampling (TS) policy named Sample-Then-Optimize Batch Neural TS (STO-BNTS) and STO-BNTS-Linear. To choose an input query, we only need to train an NN (resp. a linear model) and then choose the query by maximizing the trained NN (resp. linear model), which is equivalently sampled from the GP posterior with the NTK as the kernel function. As a result, our algorithms sidestep the need to invert the large parameter matrix yet still preserve the validity of the TS policy. Next, we derive regret upper bounds for our algorithms with batch evaluations, and use insights from batch BO and NTK to show that they are asymptotically no-regret under certain conditions. Finally, we verify their empirical effectiveness using practical AutoML and reinforcement learning experiments.
Inverse design has been applied to a variety of complex electromagnetic structures including multifunctional and multiple-input multiple-output (MIMO) devices, where analytical design methods are limiting. We have pre...
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ISBN:
(数字)9781733509671
ISBN:
(纸本)9798350362978
Inverse design has been applied to a variety of complex electromagnetic structures including multifunctional and multiple-input multiple-output (MIMO) devices, where analytical design methods are limiting. We have previously reported on the inverse design of single-input, single-output Perfectly-Matched Metamaterials (PMMs). PMMs are inhomogeneous, anisotropic 2D metamaterials composed of unit cells that remain impedance-matched to each other and the surroundings under all excitations. PMMs rely primarily on refractive effects and exhibit broadband operation. This work presents the inverse design of a compact MIMO device based on PMMs: a 2D beamformer with prescribed amplitude and phase profiles that exhibits zero scan loss.
We consider the problem of estimating the ground state energy of quantum p-local spin glass random Hamiltonians, the quantum analogues of widely studied classical spin glass models. Our main result shows that the maxi...
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We investigate the time complexity of SGD learning on fully-connected neural networks with isotropic data. We put forward a complexity measure, the leap, which measures how "hierarchical" target functions ar...
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Graph neural networks (GNNs) achieve remarkable performance in graph machine learning tasks but can be hard to train on large-graph data, where their learning dynamics are not well understood. We investigate the train...
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This paper studies the relationship between a graph neural network (GNN) and a manifold neural network (MNN) when the graph is constructed from a set of points sampled from the manifold, thus encoding geometric inform...
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Technical advances over the past two decades have enabled robust detection of cell-free DNA (cfDNA) in biological samples. Yet, higher clinical sensitivity is required to realize the full potential of liquid biopsies....
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Iterative phase retrieval algorithms are time-consuming. To accelerate reconstructions for Randomized Probe Imaging (RPI), we propose deep k-learning, a neural network with attention to frequency. The associated compu...
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It is challenging to detect low-abundance bacteria from large-volume raw samples or huge backgrounds. This work proposes electrostatic microfiltration as effective sample preparation for bacteria enrichment to improve...
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We demonstrate doped-silicon-on-insulator microheaters with triangle-like temperature profiles. Such devices control the hotspot size and temperature and, thus, the area that undergoes amorphization or crystallization...
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