3260 papers • 126 benchmarks • 313 datasets
Gaussian Process Regression
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This tutorial aims to provide an intuitive introduction to Gaussian process regression (GPR) and an implementation of a standard GPR algorithm, and reviews packages for implementing state-of-the-art Gaussian process algorithms.
The proposed problem setup, feature design, and ML algorithm are shown to provide highly accurate models for both dipole moments and energies on water and 14 small molecules, and MOB-ML provides the best test mean absolute errors when training on 110 000 QM9 molecules.
This work proposes to infer full parameter posterior with Hamiltonian Monte Carlo (HMC), which conveniently extends the analytical gradient-based GPR learning by guiding the sampling with model gradients, and learns the MAP solution from the posterior by gradient ascent.
It is proved that when the measurement vectors are generic, with high probability, a natural least-squares formulation for GPR has the following benign geometric structure: (1) There are no spurious local minimizers, and all global minimizers are equal to the target signal, up to a global phase, and (2) the objective function has a negative directional curvature around each saddle point.
Age predictions can be accurately generated on raw T1‐MRI data, substantially reducing computation time for novel data, bringing the process closer to giving real‐time information on brain health in clinical settings.
A novel technique for buried object detection tailored to unexploded landmine discovery that exploits a specific kind of convolutional neural network known as autoencoder to analyze volumetric data acquired with ground penetrating radar (GPR) using different polarizations.
The proposed framework for programmable and interpretable regression networks for pattern recognition and address mode decomposition as a prototypical problem is introduced and the structure of some of these networks share intriguing similarities with convolutional neural networks while being interpretable, programable and amenable to theoretical analysis.
We first introduce a novel profile-based alignment algorithm, the multiple continuous Signal Alignment algorithm with Gaussian Process Regression profiles (SA-GPR). SA-GPR addresses the limitations of currently available signal alignment methods by adopting a hybrid of the particle smoothing and Markov-chain Monte Carlo (MCMC) algorithms to align signals, and by applying the Gaussian process regression to construct profiles to be aligned continuously. SA-GPR shares all the strengths of the existing alignment algorithms that depend on profiles but is more exact in the sense that profiles do not need to be discretized as sequential bins. The uncertainty of performance over the resolution of such bins is thereby eliminated. This methodology produces alignments that are consistent, that regularize extreme cases, and that properly reflect the inherent uncertainty. Then we extend SA-GPR to a specific problem in the field of paleoceanography with a method called Bayesian Inference Gaussian Process Multiproxy Alignment of Continuous Signals (BIGMACS). The goal of BIGMACS is to infer continuous ages for ocean sediment cores using two classes of age proxies: proxies that explicitly return calendar ages (e.g., radiocarbon) and those used to synchronize ages in multiple marine records (e.g., an oxygen isotope based marine proxy known as benthic ${\delta}^{18}{\rm O}$). BIGMACS integrates these two proxies by iteratively performing two steps: profile construction from benthic ${\delta}^{18}{\rm O}$ age models and alignment of each core to the profile also reflecting radiocarbon dates. We use BIGMACS to construct a new Deep Northeastern Atlantic stack (i.e., a profile from a particular benthic ${\delta}^{18}{\rm O}$ records) of five ocean sediment cores. We conclude by constructing multiproxy age models for two additional cores from the same region by aligning them to the stack.
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