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17 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Applying an Oriented Divergence Theorem to Swept Face Remap

Here we present a novel oriented divergence theorem and apply the results to a swept face remap method (conservative data transfer between two meshes) in arbitrary Langrangian–Eulerian hydrodynamics. In our setting, we compute the material flux along swept regions between corresponding faces in the source and target meshes. Since the swept region may add material, subtract material, or do both when it intersects itself, we cannot apply the conventional divergence theorem without accounting for orientation and self-overlaps. In this work, we encode the swept region orientation and geometry with a map from the unit n -dimensional cube, and then apply an oriented analog of divergence theorem to compute the material flux. We present efficient implementation strategies for the presented method. We also provide numerical evidence supporting our results and discuss extensions to more general mesh topologies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Resilience Measurement Framework For Post-deployment Artificial Intelligence (ai) Integrated Systems

Resilience is largely defined as the ability to adapt or recover from adverse conditions, stresses, attacks, or compromises on systems that use or are enabled by digital resources. In Artificial Intelligence Management and Research for Advanced Networked Testbed Hub (AMARANTH), resilience is measured in the amount of time it took from the beginning of a testing period for the model to reach predictions outside of the original 95% confidence interval or using the Kullback-Leibler (KL) divergence theorem, the Population Stability Index (PSI), and traditional methods such as root mean squared error (RMSE) threshold. Artificial Intelligence (AI) model drift is of significant concern when deploying AI-integrated systems into critical and/or secure environments. Drift can impact resilience of the AI-integrated system post-deployment and requires consistent maintenance and upkeep to ensure the model is accurate and precise. To quantify model drift and predict the point when a model's drift becomes unacceptable, we describe using Kullback-Leibler (KL) divergence, Population Stability Index (PSI) and/or confidence interval width estimations to determine the point of failure and time to failure of a model post-deployment. Through simple code functions, the KL-divergence, PSI, confidence interval, and root mean squared (RMSE) point of failures can be used to derive when a model needs to be maintained as well as the impact of adversarial action through statistical means.

Yockey, Patience [Idaho National Laboratory (INL),↗
DOE OSTI2023

First Moments of a Polyhedron Clipped by a Paraboloid

We provide closed-form expressions for the first moments (i.e., the volume and volume-weighted centroid) of a polyhedron clipped by a paraboloid, that is, of a polyhedron intersected with the subset of the three-dimensional real space located on one side of a paraboloid. These closed-form expressions are derived following successive applications of the divergence theorem and the judicious parametrization of the intersection of the polyhedron’s faces with the paraboloid. Here, we provide means for identifying ambiguous discrete intersection topologies, and propose a corrective procedure for preventing their occurence. Finally, we put our proposed closed-form expressions and numerical approach to the test with millions of random and manually engineered polyhedron/paraboloid intersection configurations. The results of these tests show that we are able to provide robust machine-accurate estimates of the first moments at a computational cost that is within one order of magnitude of that of state-of-the-art half-space clipping algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Flavor fragmentation function factorization

A definition of partonic jet flavor that is both theoretically well-defined and experimentally robust would have profound implications for measurements and predictions especially for heavy flavor applications. Recently, a definition of jet flavor was introduced as the net flavor flowing along the direction of the Winner-Take-All axis of a jet which is soft safe to all orders, but not collinear safe. Here, we exploit the lack of collinear safety and propose a factorization theorem of perturbative flavor fragmentation functions that resum collinear divergences and describe the evolution of flavor from the short distance of jet production to the long distance at which hadronization occurs. Collinear flavor evolution is governed by a small modification of the DGLAP equations. We present a detailed all-orders analysis and identify exact relations that must hold amongst the various anomalous dimensions by probability conservation and the existence of fixed points of the renormalization group flow. We explicitly validate the factorization theorem at one-loop order, and demonstrate its consistency at two loops in particular flavor channels. Starting at two-loops, constraints on phase space imposed by flavor measurements potentially allow for non-trivial soft contributions, but we demonstrate that they are scaleless and so explicitly vanish, ensuring that soft particles are summed inclusively and all divergences are exclusively collinear in nature. This factorization theorem opens the door to precision calculations with identified flavor in the infrared.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Flavor Fragmentation Function Factorization

A definition of partonic jet flavor that is both theoretically well-defined and experimentally robust would have profound implications for measurements and predictions especially for heavy flavor applications. Recently, a definition of jet flavor was introduced as the net flavor flowing along the direction of the Winner-Take-All axis of a jet which is soft safe to all orders, but not collinear safe. Here, we exploit the lack of collinear safety and propose a factorization theorem of perturbative flavor fragmentation functions that resum collinear divergences and describe the evolution of flavor from the short distance of jet production to the long distance at which hadronization occurs. Collinear flavor evolution is governed by a small modification of the DGLAP equations. We present a detailed all-orders analysis and identify exact relations that must hold amongst the various anomalous dimensions by probability conservation and the existence of fixed points of the renormalization group flow. We explicitly validate the factorization theorem at one-loop order, and demonstrate its consistency at two loops in particular flavor channels. Starting at two-loops, constraints on phase space imposed by flavor measurements potentially allow for non-trivial soft contributions, but we demonstrate that they are scaleless and so explicitly vanish, ensuring that soft particles are summed inclusively and all divergences are exclusively collinear in nature. This factorization theorem opens the door to precision calculations with identified flavor in the infrared.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Avenues for a number density interpretation of dihadron fragmentation functions

In this letter, we reassess the underlying physics of the number sum rule for dihadron fragmentation functions. We will argue that, currently, there are no settled constraints on what constitutes a valid number density interpretation for multihadron fragmentation functions. Imposing overly restrictive criteria might lead to misinterpretating the data. Most importantly, and on the basis of phenomenological analyses, the slightly varying definitions used in previous work are not excluded from possessing legitimate number density interpretations (up to the usual issues with ultraviolet divergences and renormalization), so long as they are paired with appropriate factorization theorems. We advocate for further theoretical analyses to be challenged with experimental data, available at JLab or at the future EIC.

First principle↗
DOE OSTI2025

Geometry of soft scalars at one loop

We extend the soft theorems for scattering amplitudes of scalar effective field theories to one-loop order. Our analysis requires carefully accounting for the fact that the soft limit is not guaranteed to commute with evaluating IR-divergent loop integrals; new results for the soft limit of general scalar one-loop integrals are presented. The geometric soft theorem remains unmodified for any derivatively-coupled scalar effective field theory, and we conjecture that this statement holds to all orders. In contrast, the soft theorem receives nontrivial corrections in the presence of potential interactions, analogous to the case of non-Abelian gauge theories. We derive the universal leading-order correction to the scalar soft theorem arising from potential interactions at one loop. Explicit examples are provided that illustrate the general results.

differential and algebraic geometry↗
DOE OSTI2026

A new effective theory for stochastic relativistic hydrodynamics

Thermal fluctuations are a fundamental feature of dissipative systems that are essential for understanding physics near the expected critical point of QCD and in small systems. When such fluctuations are modeled naively in relativistic systems, strange features can appear such as negative self-correlation functions. We construct an effective theory for nonlinear stochastic relativistic hydrodynamics that ensure a well-posed mathematical formulation. Using Crooks fluctuation theorem, we derive a symmetry of the effective action that incorporates fluctuations through a suitable free energy functional. For divergence type theories, the action can then be fully specified using a single vector generating current. The equations of motion obtained using this procedure are guaranteed to be flux conservative and symmetric hyperbolic when the dynamics is causal. This ensures that these equations are well-posed (for suitable initial data) and are in a form that can easily be simulated, including with Metropolis techniques.

Mullins, Nicki [University of Illinois at Urbana-C↗
DOE OSTI2023

Quark and gluon two-loop beam functions for leading-jet p T and slicing at NNLO

We compute the complete set of two-loop beam functions for the transverse momentum distribution of the leading jet produced in association with an arbitrary colour-singlet system. Our results constitute the last missing ingredient for the calculation of the jet-vetoed cross section at small veto scales at the next-to-next-to-leading order, as well as an important ingredient for its resummation to next-to-next-to-next-to-leading logarithmic order. Our calculation is performed in the soft-collinear effective theory framework with a suitable regularisation of the rapidity divergences occurring in the phase-space integrals. We discuss the occurrence of soft-collinear mixing terms that might violate the factorisation theorem, and demonstrate that they are naturally absorbed into the beam functions at two loops in the exponential rapidity regularisation scheme when performing a multipole expansion of the measurement function. As in our recent computation of the two-loop soft function, we present the results as a Laurent expansion in the jet radius R. We provide analytic expressions for all flavour channels in x space with the exception of a set of R-independent non-logarithmic terms that are given as numerical grids. We also perform a fully numerical calculation with exact R dependence, and find that it agrees with our analytic expansion at the permyriad level or better. Our calculation allows us to define a next-to-next-to-leading order slicing method using the leading-jet p T as a slicing variable. As a check of our results, we carry out a calculation of the Higgs and Z boson total production cross sections at the next-to-next-to-leading order in QCD.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Geometric Delocalization in Two Dimensions

We demonstrate the existence of transient two-dimensional surfaces where a random-walking particle escapes to infinity in contrast to localization in standard flat two-dimensional space. We first prove that any rotationally symmetric two-dimensional membrane embedded in flat three-dimensional space cannot be transient. Then we formulate a criterion for the transience of a general asymmetric two-dimensional membrane. We use it to explicitly construct a class of transient two-dimensional manifolds with a nontrivial metric and height function but “zero average curvature,” which we dub “tablecloth manifolds.” The absence of the logarithmic infrared divergence of the Laplace-Beltrami operator in turn implies the absence of weak localization, nonexistence of bound states in shallow potentials, and breakdown of the Mermin-Wagner theorem and Kosterlitz-Thouless transition on the tablecloth manifolds, which may be realizable in both quantum simulators and corrugated two-dimensional materials.

Anderson localization↗
DOE OSTI2024

Scalar-graviton amplitudes and celestial holography

We compute scattering amplitudes involving one massive scalar and two, three, or four gravitons. We show that when the conformal dimension of the massive scalar is set to zero, the resulting celestial correlators depend only on the coordinates of the gravitons. Such correlators of gravitons are well-defined and do not suffer from divergences associated with the Mellin transform of usual graviton amplitudes. Moreover, they are non-distributional and take the form of standard CFT correlators. We show that they are consistent with the usual OPEs but the statement of the soft theorem is modified.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Computation of forces and stresses in solids: Towards accurate structural optimization with auxiliary-field quantum Monte Carlo

The accurate computation of forces and other energy derivatives has been a long-standing challenge for quantum Monte Carlo methods. A number of technical obstacles contribute to this challenge. We discuss how these obstacles can be removed with the auxiliary-field quantum Monte Carlo (AFQMC) approach. AFQMC is a general, high-accuracy, many-body total-energy method for molecules and solids. The implementation of back-propagation for pure estimators allows direct calculation of gradients of the energy via the Hellmann-Feynman theorem. A planewave basis with norm-conserving pseudopotentials is used for the study of periodic bulk materials. Completeness of the planewave basis minimizes the effect of so-called Pulay terms. The ionic pseudopotentials, which can be incorporated in AFQMC in exactly the same manner as in standard independent-electron methods, regulate the force and stress estimators and eliminate any potential divergence of the Monte Carlo variances. The resulting approach allows applications of full geometry optimizations in bulk materials. As a result, it also paves the way for many-body computations of the phonon spectrum in solids.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Next-to-leading power endpoint factorization and resummation for off-diagonal “gluon” thrust

The lack of convergence of the convolution integrals appearing in next-to-leading-power (NLP) factorization theorems prevents the applications of existing methods to resum power-suppressed large logarithmic corrections in collider physics. We consider thrust distribution in the two-jet region for the flavour-nonsinglet off-diagonal contribution, where a gluon-initiated jet recoils against a quark-antiquark pair, which is power-suppressed. With the help of operatorial endpoint factorization conditions, we obtain a factorization formula, where the individual terms are free from endpoint divergences in convolutions and can be expressed in terms of renormalized hard, soft and collinear functions in four dimensions. This allows us to perform the first resummation of the endpoint-divergent SCETI observables at the leading logarithmic accuracy using exclusively renormalization-group methods. The presented approach relies on universal properties of the soft and collinear limits and may serve as a paradigm for the systematic NLP resummation for other 1 → 2 and 2 → 1 collider physics processes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Quantum entropy as a harbinger of factorizability

Deeply inelastic scattering (DIS) is a powerful probe for investigating the QCD structure of hadronic matter and testing the standard model (SM). DIS can be described through QCD factorization theorems which separate contributions to the scattering interaction arising from disparate scales — e.g ., with nonperturbative matrix elements associated with long distances and a perturbative hard scattering kernel applying to short-distance parton-level interactions. The fundamental underpinnings of factorization may be recast in the quantum-theoretic terms of entanglement, (de)coherence, and system localization in a fashion which sheds complementary light on the dynamics at work in DIS from QCD bound states. In this Letter, we propose and quantitatively test such a quantum-information theoretic approach for dissecting factorization in DIS and its domain of validity; we employ metrics associated with quantum entanglement such as a differential quantum entropy and associated Kullback-Leibler (KL) divergences in numerical tests. We deploy these methods on an archetypal quark-spectator model of the proton, for which we monitor quantum decoherence in DIS as underlying model parameters are varied. On this basis, we demonstrate quantitatively how factorization-breaking effects may be imprinted on quantum entropies in a kinematic regime where leading-twist factorization increasingly receives large corrections from finite- Q 2 effects; our findings suggest potential applications of quantum simulation to QCD systems and their interactions.

Deep inelastic scattering↗
DOE OSTI2024

New nonrenormalization theorem from UV/IR mixing

In this paper, we prove a new nonrenormalization theorem which arises from UV/IR mixing. This theorem and its corollaries are relevant for all four-dimensional perturbative tachyon-free closed string theories which can be realized from higher-dimensional theories via geometric compactifications. As such, our theorem therefore holds regardless of the presence or absence of spacetime supersymmetry and regardless of the gauge symmetries or matter content involved. This theorem resolves a hidden clash between modular invariance and the process of decompactification, and enables us to uncover a number of surprising phenomenological properties of these theories. Chief among these is the fact that certain physical quantities within such theories cannot exhibit logarithmic or power-law running and instead enter an effective fixed-point regime above the compactification scale. This cessation of running occurs as the result of the UV/IR mixing inherent in the theory. These effects apply not only for gauge couplings but also for the Higgs mass and other quantities of phenomenological interest, thereby eliminating the logarithmic and/or power-law running that might have otherwise appeared for such quantities. These results illustrate the power of UV/IR mixing to tame divergences—even without supersymmetry—and reinforce the notion that UV/IR mixing may play a vital role in resolving hierarchy problems without supersymmetry. Published by the American Physical Society 2024

Abel, Steven (ORCID:000000031213907X)↗