Anton Kast
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An AI system to help scientists write expert-level empirical software
Johan Kartiwa
Matthew Abraham
Qian-Ze Zhu
Zahra Shamsi
Shibl Mourad
Julie Wang
Anastasiya Belyaeva
Scott Ellsworth
Yuchen Zhou
Jackson Cui
Grace Joseph
Malcolm Kane
Paul Raccuglia
Ryan Krueger
Jeffrey Cardille
Erica Brand
Renee Johnston
James Thompson
Chris Co
James Manyika
Anna Bulanova
David Smalling
Eser Aygün
Kat Chou
Gheorghe Comanici
arXiv (2025)
Preview abstract
The cycle of scientific discovery is frequently bottlenecked by the slow, manual creation of software to support computational experiments. To address this, we present an AI system that creates expert-level scientific software whose goal is to maximize a quality metric. The system uses a Large Language Model (LLM) and Tree Search (TS) to systematically improve the quality metric and intelligently navigate the large space of possible solutions. The system achieves expert-level results when it explores and integrates complex research ideas from external sources. The effectiveness of tree search is demonstrated across a wide range of benchmarks. In bioinformatics, it discovered 40 novel methods for single-cell data analysis that outperformed the top human-developed methods on a public leaderboard. In epidemiology, it
generated 14 models that outperformed the CDC ensemble and all other individual models for forecasting COVID-19 hospitalizations. Our method also produced state-of-the-art software for geospatial analysis, neural activity prediction in zebrafish, time series forecasting and numerical solution of integrals. By devising and implementing novel solutions to diverse tasks, the system represents a significant step towards accelerating scientific progress.
Keywords: Tree Search, Generative AI, Scorable Scientific Tasks, Empirical Software
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Mapping the ionosphere with millions of phones
Jamie Smith
Anton Geraschenko
Jade Morton
Frank van Diggelen
Nature (2024)
Preview abstract
The ionosphere is a layer of weakly ionized plasma bathed in Earth’s geomagnetic field extending about 50–1,500 kilometres above Earth1. The ionospheric total electron content varies in response to Earth’s space environment, interfering with Global Satellite Navigation System (GNSS) signals, resulting in one of the largest sources of error for position, navigation and timing services2. Networks of high-quality ground-based GNSS stations provide maps of ionospheric total electron content to correct these errors, but large spatiotemporal gaps in data from these stations mean that these maps may contain errors3. Here we demonstrate that a distributed network of noisy sensors—in the form of millions of Android phones—can fill in many of these gaps and double the measurement coverage, providing an accurate picture of the ionosphere in areas of the world underserved by conventional infrastructure. Using smartphone measurements, we resolve features such as plasma bubbles over India and South America, solar-storm-enhanced density over North America and a mid-latitude ionospheric trough over Europe. We also show that the resulting ionosphere maps can improve location accuracy, which is our primary aim. This work demonstrates the potential of using a large distributed network of smartphones as a powerful scientific instrument for monitoring Earth.
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The Open Reaction Database
Abigail G. Doyle
Connor W. Coley
Joel M. Hawkins
Klavs F. Jensen
Michael R. Maser
Michael Wleklinski
Spencer D. Dreher
(2021)
Preview abstract
Chemical reaction data in journal articles, patents, and even electronic laboratory notebooks are currently stored in various formats, often unstructured, which presents a significant barrier to downstream applications, including the training of machine learning models. We present the Open Reaction Database (ORD), an open access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. The data, schema, supporting code, and web-based user interfaces are all publicly available on GitHub. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
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OVERVIEW OF C-2W: HIGH TEMPERATURE, STEADY-STATE BEAM-DRIVEN FIELD-REVERSED CONFIGURATION PLASMAS
Ian Langmore
Rob von Behren
TAE
Tom Madams
William D Heavlin
Nuclear Fusion (2021)
Preview abstract
TAE Technologies, Inc. (TAE) is pursuing an alternative approach to magnetically confined fusion, which relies on field-reversed configuration (FRC) plasmas composed of mostly energetic and well-confined particles by means of a state-of-the-art tunable energy neutral-beam (NB) injector system. TAE’s current experimental device, C-2W (also called “Norman”), is the world’s largest compact-toroid device and has made significant progress in FRC performance, producing record breaking, high temperature (electron temperature, Te >500 eV; total electron and ion temperature, Ttot >3 keV) advanced beam-driven FRC plasmas, dominated by injected fast particles and sustained in steady-state for up to 30 ms, which is limited by NB pulse duration. C-2W produces significantly better FRC performance than the preceding C-2U experiment, in part due to Google’s machine-learning framework for experimental optimization, which has contributed to the discovery of a new operational regime where novel settings for the formation sections yield consistently reproducible, hot, and stable plasmas. Active plasma control system has been developed and utilized in C-2W to produce consistent FRC performance as well as for reliable machine operations using magnets, electrodes, gas injection, and tunable NBs. The active control system has demonstrated a stabilization of FRC axial instability. Overall FRC performance is well correlated with NBs and edge-biasing system, where higher total plasma energy is obtained with increasing both NB injection power and applied-voltage on biasing electrodes. C-2W divertors have demonstrated a good electron heat confinement on open-field-lines using strong magnetic mirror fields as well as expanding the magnetic field in the divertors (expansion ratio >30); the electron energy lost per ion, ~6–8, is achieved, which is close to the ideal theoretical minimum.
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Multi-instrument Bayesian reconstruction of plasma shape evolution in C-2W experiment
Erik Trask
Hiroshi Gota
Ian Langmore
Jesus Romero
Rob von Behren
Tom Madams
Physics of Plasmas (2021)
Preview abstract
We determined the time-dependent geometry including high-frequency oscillations of the plasma density in TAE’s C2W experiment. This was done as a joint Bayesian reconstruction from a 14-chord FIR interferometer in the midplane, 32 Mirnov probes at the periphery, and 8 shine-through detectors at the targets of the neutral beams. For each point in time we recovered, with credibility intervals: the radial density profile of the plasma; bulk plasma displacement; amplitudes, frequencies and phases of the azimuthal modes n=1 to n=4. Also reconstructed were the radial profiles of the deformations associated with each of the azimuthal modes. Bayesian posterior sampling was done via Hamiltonian
Monte Carlo with custom preconditioning. This gave us a comprehensive uncertainty quantification of the reconstructed values, including correlations and some understanding of multimodal posteriors. This method was applied to thousands of experimental shots on C-2W, producing a rich data set for analysis of plasma performance.
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