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DOE OSTI2024

Gender in Mineral Names

Minerals are the fundamental constituents of Earth, and mineral names appear in scientific literature for disciplines including geology, chemistry, materials science, biology, and medicine, among others. Choosing a name is the full responsibility of the authors of new mineral proposals submitted to the International Mineralogical Association (IMA). Scientific nomenclature and its traditions have evolved over time and, consequently, mineral names track changes in the landscape of mineralogy with respect to language, technology, and culture. To evaluate these changes, the namesake information for all 5896 minerals approved by the IMA or ‘grandfathered’ into use as of December 2022 was recorded and categorized within a workable database. The compiled information yields diverse insights into the intersection of science and culture and could also be used to project future trends. In this study, we used the name database to investigate gender diversity among mineral eponyms. More than half (c. 54%) of all mineral species are named after people, the identities of whom are largely a reflection of the people that have historically been involved, in one way or another, in the geosciences and in the mining industry. Of the 2738 people with minerals named for them, approximately 6.1% are (interpreted to be) women. Nearly all minerals named for women were named during the last sixty years, although the rate of growth in the year-on-year percentage of women among new mineral namesakes has slowed since about 1985. If current and historical trends hold, our model predicts that women will not comprise more than about 10.35% of newly established mineral namesakes in future years. The representation of women among mineral namesakes also differs starkly among countries. For example, Russians comprise 43.11% of women with minerals named for them, but account for only 15.12% of all eponyms. However, there are additional disparities beyond the proportions of namesakes. For scientists who were alive when a mineral was named for them, women were an average of 3.74 years older than men when evaluated over the same timespan (1954–2022). These results demonstrate that gender-based disparities are imprinted into current mineral nomenclature and indicate that gender parity among new mineral namesakes is impossible without unprecedented changes in the upstream demographics that are most likely to affect naming trends.

58 GEOSCIENCES↗

DOE OSTI2024

Provable Repair of Vision Transformers

Vision Transformers have emerged as state-of-the-art image recognition tools, but may still exhibit incorrect behavior. Incorrect image recognition can have disastrous consequences in safety-critical real-world applications such as self-driving automobiles. In this paper, we present Provable Repair of Vision Transformers (PRoViT), a provable repair approach that guarantees the correct classification of images in a repair set for a given Vision Transformer without modifying its architecture. PRoViT avoids negatively affecting correctly classified images (drawdown) by minimizing the changes made to the Vision Transformer’s parameters and original output. Here, we observe that for Vision Transformers, unlike for other architectures such as ResNet or VGG, editing just the parameters in the last layer achieves correctness guarantees and very low drawdown. We introduce a novel method for editing these last-layer parameters that enables PRoViT to efficiently repair state-of-the-art Vision Transformers for thousands of images, far exceeding the capabilities of prior provable repair approaches.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

TRANSP integrated modeling code for interpretive and predictive analysis of tokamak plasmas

This paper provides a comprehensive review of the TRANSP code, a sophisticated tool for interpretive and predictive analysis of tokamak plasmas, detailing its major capabilities and features. It describes the equations for particle, power, and momentum balance analysis, as well as the poloidal field diffusion equations. The paper outlines the spatial and time grids used in TRANSP and details the equilibrium assumptions and solvers. Various models for heating and current drive and radiation, including updates to the NUBEAM model, are discussed. The handling of large-scale events such as sawtooth crashes and pellet injections is examined, along with the predictive capabilities for advancing plasma profiles. The integration of TRANSP with the ITER Integrated Modeling and Analysis Suite (IMAS) is highlighted, demonstrating enhanced data access and analysis capabilities. Additionally, the paper discusses best practices and continuous integration techniques to enhance TRANSP's robustness. The suite of TRANSP tools, designed for efficient data analysis and simulation, further supports the optimization of tokamak operations and coupling with other tokamak codes. Continuous development and support ensure that TRANSP remains a major code for the analysis of experimental data for controlled thermonuclear fusion, maintaining its critical role in supporting the optimization of tokamak operations and advancing fusion research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Electron cyclotron emission detection of neoclassical tearing modes for control for ITER

Successful operation of ITER requires control of magnetic instabilities including neoclassical tearing modes (NTMs) that can degrade confinement and lead to disruption. Low latency detection by electron cyclotron emission (ECE) diagnostics has been demonstrated in a few current experiments. Using a synthetic diagnostic, we demonstrate low latency NTM detection for ITER with plasmas described by ITER IMAS database scenarios and with realistic limitations imposed on the instrumentation by these high temperature scenarios. 2/1 NTMs are detected 430 ms after magnetic island seeding and before island locking. The radiometer configuration was optimized using simulation, and the smallest detectable island size was explored. Island sizes of ∼3 cm are detectable at the 2/1 surface. The simulated signals incorporate recent physics models for island growth and rotation, which show early locking and continued island growth after locking and before disruption. This work determines limits for ITER ECE spatial resolution imposed by relativistic broadening of channels, which informs hardware design. Real-time detection is demonstrated in hardware that is required by ITER, including on an NI PXI-7853R FPGA system. Development of a synthetic diagnostic and details of the hardware will be discussed.

Cyclotron radiation↗

DOE OSTI2026

ReMU: regional minimal updating for model-based derivative-free optimization

Derivative-free optimization (DFO) problems are optimization problems where derivative information is unavailable or extremely difficult to obtain. Model-based DFO solvers have been applied extensively in scientific computing. Powell's NEWUOA (2004) [Powell, The NEWUOA software for unconstrained optimization without derivatives, in Large-Scale Nonlinear Optimization, Nonconvex Optimization and its Applications Vol. 83, G. Di Pillo and M. Roma, eds., Springer, 2006, pp. 255–297] and Wild's POUNDerS (2014) [Wild, Solving derivative-free nonlinear least squares problems with POUNDERS, in Advances and Trends in Optimization with Engineering Applications, T. Terlaky, M.F. Anjos, and S. Ahmed, eds., SIAM, 2017, pp. 529–540] explore the numerical power of the minimal norm Hessian (MNH) model for DFO and contributed to the open discussion on building better models with fewer data to achieve faster numerical convergence. Another decade later, we propose the regional minimal updating (ReMU) models, and extend the previous models into a broader class, including the H 2 norm models [Xie and Yuan, Least H 2 norm updating of quadratic interpolation models for derivative-free trust-region algorithms, IMA J. Numer. Anal. 46 (2025), pp. 21–50]. This paper shows motivation behind ReMU models, computational details, theoretical and numerical results on particular extreme points and the barycentre of ReMU's weight coefficient region, and the associated KKT matrix error and distance. Novel metrics, such as the truncated Newton step error, are proposed to numerically understand the new models' properties. A new algorithmic strategy, based on iteratively adjusting the ReMU model type, is also proposed, and shows numerical advantages by combining and switching between the barycentric model and the classic least Frobenius norm model in an online fashion.

derivative-free trust-region methods↗

DOE OSTI2025

WEST L-mode record long pulses guided by predictions using Integrated Modeling

A new record was set on the WEST Tokamak, designed to operate long duration plasmas in a tungsten (W) environment, with an injected energy of 1.15 GJ and a plasma duration 364s. Scenario development was supported by integrated modeling using the High Fidelity Plasma Simulator (HFPS), the European IMAS-coupled version of JETTO/JINTRAC, which integrates physics-driven modules into a unified framework. In particular, a reduced model for Lower-Hybrid heating and Current-Drive (LHCD) and the quasi-linear turbulent transport model TGLF are crucial for long pulses predictions up to the Last Closed Flux Surface (LCFS). Using this workflow, a 100 s reference discharge was modeled and plasma kinetic profiles and loop voltage were quantitatively well matched. In preparation for the recent long duration experiments, non-inductive current-drive actuators (I P , n e , P LHCD ) were varied to determine the operational domain going towards fully non-inductive discharges. In particular, decreasing the plasma current is shown to ease the access to such conditions, with a careful monitoring of (n e , P LHCD ) to avoid machine limitations. In addition, post-prediction experiments conducted within the investigated parameter range validated the predicted dependencies and were shown to be in quantitative agreement. Exploratory work on the use of ECCD for MHD stability purpose is also introduced.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Analyzing the Quantum Approximate Optimization Algorithm: Ansätze, Symmetries, and Lie Algebras

The quantum approximate optimization algorithm (QAOA) has been proposed as a method to obtain approximate solutions for combinatorial optimization tasks. In this work, we study the underlying algebraic properties of three QAOA ansätze for the maximum-cut problem on connected graphs, while focusing on the generated Lie algebras as well as their invariant subspaces. Specifically, we analyze the standard QAOA ansatz as well as the orbit and multiangle ansätze. We are able to fully characterize the Lie algebras of the multiangle ansatz across arbitrary connected graphs, finding that they only fall into one of just six families. Aside from the cycle and path graphs, the Lie dimensions for every graph are exponentially large in the system size, meaning that multiangle ansätze are extremely prone to exhibiting barren plateaus. Then, a similar quasi-graph-independent Lie-algebraic characterization beyond the multiangle ansatz is impeded as the circuit exhibits additional “hidden” symmetries besides those naturally arising from a certain parity-superselection operator and all automorphisms of the considered graph. Disregarding the “hidden” symmetries, we can upper bound the dimensions of the orbit and the standard Lie algebras, and the dimensions of the associated invariant subspaces are determined via explicit character formulas. To finish, we conjecture that (for most graphs) the standard Lie algebras have only components that are either exponential or that grow, at most, polynomially with the system size. This would imply that the QAOA is either prone to barren plateaus or classically simulable. More generally, our work provides a symmetry framework and tools to analyze any desired variational quantum algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗