M. J. Graham

Gabriele Benelli, Thomas Y. Chen, Javier Duarte et al.

The growing role of data science (DS) and machine learning (ML) in high-energy physics (HEP) is well established and pertinent given the complex detectors, large data, sets and sophisticated analyses at the heart of HEP research. Moreover, exploiting symmetries inherent in physics data have inspired physics-informed ML as a vibrant sub-field of computer science research. HEP researchers benefit greatly from materials widely available materials for use in education, training and workforce development. They are also contributing to these materials and providing software to DS/ML-related fields. Increasingly, physics departments are offering courses at the intersection of DS, ML and physics, often using curricula developed by HEP researchers and involving open software and data used in HEP. In this white paper, we explore synergies between HEP research and DS/ML education, discuss opportunities and challenges at this intersection, and propose community activities that will be mutually beneficial.

Isaac Malsky, Tiffany Kataria, Natasha E. Batalha et al.

Radiative transfer calculations are essential for modeling planetary atmospheres. However, standard methods are computationally demanding and impose accuracy-speed trade-offs. High computational costs force numerical simplifications in large models (e.g., General Circulation Models) that degrade the accuracy of the simulation. Radiative transfer calculations are an ideal candidate for machine learning emulation: fundamentally, it is a well-defined physical mapping from a static atmospheric profile to the resulting fluxes, and high-fidelity training data can be created from first principles calculations. We developed a radiative transfer emulator using an encoder-only transformer neural network architecture, trained on 1D profiles representative of solar-composition hot Jupiter atmospheres. Our emulator reproduced bolometric two-stream layer fluxes with mean test set errors of ~1% compared to the traditional method and achieved speedups of 100x. Emulating radiative transfer with machine learning opens up the possibility for faster and more accurate routines within planetary atmospheric models such as GCMs.

Dmitry A. Duev, Bryce T. Bolin, Matthew J. Graham et al.

We present Tails, an open-source deep-learning framework for the identification and localization of comets in the image data of the Zwicky Transient Facility (ZTF), a robotic optical time-domain survey currently in operation at the Palomar Observatory in California, USA. Tails employs a custom EfficientDet-based architecture and is capable of finding comets in single images in near real time, rather than requiring multiple epochs as with traditional methods. The system achieves state-of-the-art performance with 99% recall, 0.01% false positive rate, and 1-2 pixel root mean square error in the predicted position. We report the initial results of the Tails efficiency evaluation in a production setting on the data of the ZTF Twilight survey, including the first AI-assisted discovery of a comet (C/2020 T2) and the recovery of a comet (P/2016 J3 = P/2021 A3).

Elizabeth G. Campolongo, Yuan-Tang Chou, Ekaterina Govorkova et al.

Scientific discoveries are often made by finding a pattern or object that was not predicted by the known rules of science. Oftentimes, these anomalous events or objects that do not conform to the norms are an indication that the rules of science governing the data are incomplete, and something new needs to be present to explain these unexpected outliers. The challenge of finding anomalies can be confounding since it requires codifying a complete knowledge of the known scientific behaviors and then projecting these known behaviors on the data to look for deviations. When utilizing machine learning, this presents a particular challenge since we require that the model not only understands scientific data perfectly but also recognizes when the data is inconsistent and out of the scope of its trained behavior. In this paper, we present three datasets aimed at developing machine learning-based anomaly detection for disparate scientific domains covering astrophysics, genomics, and polar science. We present the different datasets along with a scheme to make machine learning challenges around the three datasets findable, accessible, interoperable, and reusable (FAIR). Furthermore, we present an approach that generalizes to future machine learning challenges, enabling the possibility of large, more compute-intensive challenges that can ultimately lead to scientific discovery.

E. A. Huerta, Gabrielle Allen, Igor Andreoni et al.

Multi-messenger astrophysics is a fast-growing, interdisciplinary field that combines data, which vary in volume and speed of data processing, from many different instruments that probe the Universe using different cosmic messengers: electromagnetic waves, cosmic rays, gravitational waves and neutrinos. In this Expert Recommendation, we review the key challenges of real-time observations of gravitational wave sources and their electromagnetic and astroparticle counterparts, and make a number of recommendations to maximize their potential for scientific discovery. These recommendations refer to the design of scalable and computationally efficient machine learning algorithms; the cyber-infrastructure to numerically simulate astrophysical sources, and to process and interpret multi-messenger astrophysics data; the management of gravitational wave detections to trigger real-time alerts for electromagnetic and astroparticle follow-ups; a vision to harness future developments of machine learning and cyber-infrastructure resources to cope with the big-data requirements; and the need to build a community of experts to realize the goals of multi-messenger astrophysics.

Gabrielle Allen, Igor Andreoni, Etienne Bachelet et al.

This report provides an overview of recent work that harnesses the Big Data Revolution and Large Scale Computing to address grand computational challenges in Multi-Messenger Astrophysics, with a particular emphasis on real-time discovery campaigns. Acknowledging the transdisciplinary nature of Multi-Messenger Astrophysics, this document has been prepared by members of the physics, astronomy, computer science, data science, software and cyberinfrastructure communities who attended the NSF-, DOE- and NVIDIA-funded "Deep Learning for Multi-Messenger Astrophysics: Real-time Discovery at Scale" workshop, hosted at the National Center for Supercomputing Applications, October 17-19, 2018. Highlights of this report include unanimous agreement that it is critical to accelerate the development and deployment of novel, signal-processing algorithms that use the synergy between artificial intelligence (AI) and high performance computing to maximize the potential for scientific discovery with Multi-Messenger Astrophysics. We discuss key aspects to realize this endeavor, namely (i) the design and exploitation of scalable and computationally efficient AI algorithms for Multi-Messenger Astrophysics; (ii) cyberinfrastructure requirements to numerically simulate astrophysical sources, and to process and interpret Multi-Messenger Astrophysics data; (iii) management of gravitational wave detections and triggers to enable electromagnetic and astro-particle follow-ups; (iv) a vision to harness future developments of machine and deep learning and cyberinfrastructure resources to cope with the scale of discovery in the Big Data Era; (v) and the need to build a community that brings domain experts together with data scientists on equal footing to maximize and accelerate discovery in the nascent field of Multi-Messenger Astrophysics.

Ashish Mahabal, Kshiteej Sheth, Fabian Gieseke et al.

Astronomy light curves are sparse, gappy, and heteroscedastic. As a result standard time series methods regularly used for financial and similar datasets are of little help and astronomers are usually left to their own instruments and techniques to classify light curves. A common approach is to derive statistical features from the time series and to use machine learning methods, generally supervised, to separate objects into a few of the standard classes. In this work, we transform the time series to two-dimensional light curve representations in order to classify them using modern deep learning techniques. In particular, we show that convolutional neural networks based classifiers work well for broad characterization and classification. We use labeled datasets of periodic variables from CRTS survey and show how this opens doors for a quick classification of diverse classes with several possible exciting extensions.

Ciro Donalek, S. G. Djorgovski, Scott Davidoff et al.

Effective data visualization is a key part of the discovery process in the era of big data. It is the bridge between the quantitative content of the data and human intuition, and thus an essential component of the scientific path from data into knowledge and understanding. Visualization is also essential in the data mining process, directing the choice of the applicable algorithms, and in helping to identify and remove bad data from the analysis. However, a high complexity or a high dimensionality of modern data sets represents a critical obstacle. How do we visualize interesting structures and patterns that may exist in hyper-dimensional data spaces? A better understanding of how we can perceive and interact with multi dimensional information poses some deep questions in the field of cognition technology and human computer interaction. To this effect, we are exploring the use of immersive virtual reality platforms for scientific data visualization, both as software and inexpensive commodity hardware. These potentially powerful and innovative tools for multi dimensional data visualization can also provide an easy and natural path to a collaborative data visualization and exploration, where scientists can interact with their data and their colleagues in the same visual space. Immersion provides benefits beyond the traditional desktop visualization tools: it leads to a demonstrably better perception of a datascape geometry, more intuitive data understanding, and a better retention of the perceived relationships in the data.

Ciro Donalek, Arun Kumar A., S. G. Djorgovski et al.

The amount of collected data in many scientific fields is increasing, all of them requiring a common task: extract knowledge from massive, multi parametric data sets, as rapidly and efficiently possible. This is especially true in astronomy where synoptic sky surveys are enabling new research frontiers in the time domain astronomy and posing several new object classification challenges in multi dimensional spaces; given the high number of parameters available for each object, feature selection is quickly becoming a crucial task in analyzing astronomical data sets. Using data sets extracted from the ongoing Catalina Real-Time Transient Surveys (CRTS) and the Kepler Mission we illustrate a variety of feature selection strategies used to identify the subsets that give the most information and the results achieved applying these techniques to three major astronomical problems.