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At least 163 records · Page 9

From calibration to parameter learning: Harnessing the scaling effects of big data in geoscientific modeling

Abstract The behaviors and skills of models in many geosciences (e.g., hydrology and ecosystem sciences) strongly depend on spatially-varying parameters that need calibration. A well-calibrated model can reasonably propagate information from observations to unobserved variables via model physics, but traditional calibration is highly inefficient and results in non-unique solutions. Here we propose a novel differentiable parameter learning (dPL) framework that efficiently learns a global mapping between inputs (and optionally responses) and parameters. Crucially, dPL exhibits beneficial scaling curves not previously demonstrated to geoscientists: as training data increases, dPL achieves better performance, more physical coherence, and better generalizability (across space and uncalibrated variables), all with orders-of-magnitude lower computational cost. We demonstrate examples that learned from soil moisture and streamflow, where dPL drastically outperformed existing evolutionary and regionalization methods, or required only ~12.5% of the training data to achieve similar performance. The generic scheme promotes the integration of deep learning and process-based models, without mandating reimplementation.

54 ENVIRONMENTAL SCIENCES↗

Enabling pan-repository reanalysis for big data science of public metabolomics data

Public untargeted metabolomics data is a growing resource for metabolite and phenotype discovery; however, accessing and utilizing these data across repositories pose significant challenges. Therefore, here we develop pan-repository universal identifiers and harmonized cross-repository metadata. This ecosystem facilitates discovery by integrating diverse data sources from public repositories including MetaboLights, Metabolomics Workbench, and GNPS/MassIVE. Our approach simplified data handling and unlocks previously inaccessible reanalysis workflows, fostering unmatched research opportunities.

El Abiead, Yasin↗

Flat-histogram extrapolation as a useful tool in the age of big data

In this work, we review recent work by the authors to revisit the concept of extrapolating thermodynamic properties of classical systems using statistical mechanical principles. Specifically, we discuss how the combination of these principles with biased sampling techniques enables the prediction of free energy landscapes and other detailed information, such as structural properties, of the system in question. Remarkably accurate estimates of physical properties across a broad range of conditions have been achieved using this approach, greatly reducing the number of simulations needed to explore a given system's behaviour. While approximate, these extrapolations significantly amplify the amount of reasonably accurate information that can be extracted from simulations enabling a small set of them to feed data-intensive regression algorithms such as neural networks. Thus, this extrapolation methodology represents a useful tool for performing tasks such as high-throughput screening of physical properties, optimising force field parameters, exploring equilibrium phase behaviour, and enabling theory-guided data science for these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Parallel Hybrid Metaheuristics with Distributed Intensification and Diversification for Large-scale Optimization in Big Data Statistical Analysis

Important insights into many problems that are traditionally analyzed via statistical models can be obtained by re-formulating and evaluating within a large-scale optimization framework. The theoretical underpinnings of the statistical model often shift the goal of the solution space traversal from a traditional search for a single optimal solution to a traversal with the purpose of yielding a set of high quality, independent solutions. We examine statistical frameworks with astronomical solution spaces where the independence requirement constitutes a significant additional challenge for standard optimization methodologies. We design a hybrid metaheuristic with specialized intensification and diversification protocols in the base search algorithm. We extend our algorithm to the high-performance-computing realm using the Stampede2 supercomputer. We experimentally demonstrate the effectiveness of our algorithm to utilize multiple processors to collaboratively hill climb, broadcast messages to one another regarding landscape characteristics, diversify across the solution landscape, and request aid in climbing particularly difficult peaks.

Cho, Wendy K. Tam↗

Big Data Analytics on Fiber-Optical Distributed Acoustic Sensing with Rayleigh Enhancements

his paper presents a technique to use deep neural network on data analysis of distributed acoustic sensing (DAS) system built by phase-sensitive optical time-domain reflectometry (ϕ-OTDR) with Rayleigh enhancement. Rayleigh backscattering is enhanced by ultrafast laser direct writing technique that promise the excellent sensitivity. And the use of artificial intelligence (AI) drastically improve the efficiency of data pattern recognition.

Peng, Zhaoqiang↗

FNETVision: A WAMS Big Data Knowledge Discovery System

With the growing awareness of the power system stability, wide area measurement system (WAMS) has been widely studied and deployed. In WAMS, a phasor data concentrator (PDC) collects and persists the GPS-time-synchronized phasor data from hundreds of phasor measurement units (PMU). Due to the size and complexity of the modern power systems, the number of deployed PMUs has been increasing and their data size becomes increasingly large. The large data volume challenges the analysis, and the knowledge discovery of the measurement data. This paper takes the pioneering distribution level WAMS- the frequency monitoring network FNET/GridEye as an example. It develops an adaptive visualization system- FNETVision to visualize the large-volume WAMS data by interconnection. The case studies suggest, based on the FNETVision system, the system administrator can quickly dig out issues of the FNET system and accordingly pinpoint the cause of these issues.

Wang, Weikang↗

Kira: Processing Astronomy Imagery Using Big Data Technology

Scientific analyses commonly compose multiple single-process programs into a dataflow. An end-to-end dataflow of single-process programs is known as a many-task application. Typically, HPC tools are used to parallelize these analyses. In this work, we investigate an alternate approach that uses Apache Spark-a modern platform for data intensive computing-to parallelize many-task applications. We implement Kira, a flexible and distributed astronomy image processing toolkit, and its Source Extractor (Kira SE) application. Using Kira SE as a case study, we examine the programming flexibility, dataflow richness, scheduling capacity and performance of Apache Spark running on the Amazon EC2 cloud. By exploiting data locality, Kira SE achieves a 4.1× speedup over an equivalent C program when analyzing a 1TB dataset using 512 cores on the Amazon EC2 cloud. Furthermore, Kira SE on the Amazon EC2 cloud achieves a 1.8× speedup over the C program on the NERSC Edison supercomputer. A 128-core Amazon EC2 cloud deployment of Kira SE using Spark Streaming can achieve a second-scale latency with a sustained throughput of 800 MB/s. Our experience with Kira demonstrates that data intensive computing platforms like Apache Spark are a performant alternative for many-task scientific applications.

97 MATHEMATICS AND COMPUTING↗