7 papers · ranked by Valyu relevance
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Solving optimization problems, especially for nonlinear and constrained systems, is a challenge. Decades of specialized algorithms have been developed for general and special cases of root finding, minimization (including constraints), for parameter estimation, and mapping connected spaces. These approaches typically…
William Daniels, Meng Jia, Dorit Hammerling
We propose a generic, modular framework for emission event detection, localization, and quantification on oil and gas production sites that uses concentration data collected by pointin-space continuous monitoring systems (CMS). The framework uses a gradient-based spike detection algorithm to estimate emission start and…
Meng Jia, Troy Sorensen, Dorit Hammerling
We propose a generic, modular framework to optimize the placement of continuous monitoring sensors on oil and gas sites aiming to maximize the methane emissions detection efficiency. Our proposed framework substantially expands the problem scale compared to previous related studies and can be adapted for different…
Zhihao Lan, WanZhen Liang
The variational quantum eigensolver (VQE) algorithm can simulate the chemical systems such as molecules in the noisy intermediate-scale quantum devices and shows promising applications in quantum chemistry simulations. The accuracy and computational cost of the VQE simulations are determined by the underlying Ansätze.…
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Knowledge of the reaction rate constants can be vital in understanding electrochemical reaction mechanisms and their rate-determining processes. Although first-principles methods, such as density functional theory (DFT), provide valuable insight into reaction free energies and rate constants, they commonly use…
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Recent advances in structural biology have led to the publica- tion of a wealth of high resolution x-ray crystallography and cryo-EM macromolecule structures, including many complexes with small molecules of interest for drug design. While it is com- mon to incorporate information from the atomic coordinates of these…
Authors not listed
Machine olfaction—the artificial replication of the sense of smell—faces significant challenges due to the absence of large, standardized training datasets. Unlike vision, language, and audio models, which benefit from extensive corpora such as ImageNet, GLUE, and AudioSet, olfaction lacks scaled equivalents and…