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Results for “Generalization Bounds”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Superfluid Weight Bounds from Symmetry and Quantum Geometry in Flat Bands

Flat-band superconductivity has theoretically demonstrated the importance of band topology to correlated phases. In two dimensions, the superfluid weight, which determines the critical temperature through the Berezinksii-Kosterlitz-Thouless criteria, is bounded by the Fubini-Study metric at zero temperature. We show this bound is nonzero within flat bands whose Wannier centers are obstructed from the atoms—even when they have identically zero Berry curvature. Next, we derive general lower bounds for the superfluid weight in terms of momentum space irreps in all 2D space groups, extending the reach of topological quantum chemistry to superconducting states. We find that the bounds can be naturally expressed using the formalism of real space invariants (RSIs) that highlight the separation between electronic and atomic degrees of freedom. Finally, using exact Monte Carlo simulations on a model with perfectly flat bands and strictly local obstructed Wannier functions, we find that an attractive Hubbard interaction results in superconductivity as predicted by the RSI bound beyond mean field. Hence, obstructed bands are distinguished from trivial bands in the presence of interactions by the nonzero lower bound imposed on their superfluid weight.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

Correlated quadratures of resonance fluorescence and the generalized uncertainty relation

Resonance fluorescence from a two-state atom has been predicted to exhibit quadrature squeezing below the Heisenberg uncertainty limit, provided that the optical parameters (Rabi frequency, detuning, laser linewidth, etc.) are chosen carefully. When the correlation between two quadratures of the radiation field does not vanish, however, the Heisenberg limit for quantum fluctuations might be an unrealistic lower bound. A generalized uncertainty relation, due to Schroedinger, takes into account the possible correlation between the quadrature components of the radiation, and it suggests a modified definition of squeezing. We show that the coherence between the two levels of a laser-driven atom is responsible for the correlation between the quadrature components of the emitted fluorescence, and that the Schrodinger uncertainty limit increases monotonically with the coherence. On the other hand, the fluctuations in the quadrature field diminish with an increasing coherence, and can disappear completely when the coherence reaches 1/2, provided that certain phase relations hold.

Arnoldus, Henk F.↗
DOE OSTI2020

Scenario Grouping and Decomposition Algorithms for Chance-Constrained Programs

A lower bound for a finite-scenario-based chance-constrained program is the quantile value corresponding to the sorted optimal objective values of scenario subproblems. This quantile bound can be improved by grouping subsets of scenarios at the expense of solving larger subproblems. The quality of the bound depends on how the scenarios are grouped. In this paper, we formulate a mixed-integer bilevel program that optimally groups scenarios to tighten the quantile bounds. For general chance-constrained programs, we propose a branch-and-cut algorithm to optimize the bilevel program, and for chance-constrained linear programs, a mixed-integer linear-programming reformulation is derived. Here, we also propose several heuristics for grouping similar or dissimilar scenarios. Our computational results demonstrate that optimal grouping bounds are much tighter than heuristic bounds, resulting in smaller root-node gaps and better performance of scenario decomposition for solving chance-constrained 0-1 programs. Also, the optimal grouping bounds can be greatly strengthened using larger group size.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Entropy production fluctuations encode collective behavior in active matter

We derive a general lower bound on distributions of entropy production in interacting active matter systems. The bound is tight in the limit that interparticle correlations are small and short-ranged, which we explore in four canonical active matter models. In all models studied, the bound is weak where collective fluctuations result in long-ranged correlations, which subsequently links the locations of phase transitions to enhanced entropy production fluctuations. We develop a theory for the onset of enhanced fluctuations and relate it to specific phase transitions in active Brownian particles. Furthermore, we also derive optimal control forces that realize the dynamics necessary to tune dissipation and manipulate the system between phases. In so doing, we uncover a general relationship between entropy production and pattern formation in active matter, as well as ways of controlling it.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

Net diffusivity in ocean general circulation models with nonuniform grids

The numerical vertical diffusivity K(num), embedded in a numerical ocean general circulation model with nonuniform vertical grid, is estimated. It is shown that in a downwelling region, K(num) is negative for a grid with grid size increasing with depth. When the grid size increment, or the downward vertical velocity, is large, K(num) may exceed the vertical diffusivity specified and may result in a negative effective vertical diffusivity. Therefore care needs to be taken to specify the vertical diffusivity in a numerical model with nonuniform grid, and a lower bound is generally imposed in order to avoid an unphysical negative value. Some possible effects of the negative effective diffusivity are discussed.

Yin, F. L.↗
NASA NTRS1995

Large-eddy simulations with wall models

The near-wall viscous and buffer regions of wall-bounded flows generally require a large expenditure of computational resources to be resolved adequately, even in large-eddy simulation (LES). Often as much as 50% of the grid points in a computational domain are devoted to these regions. The dense grids that this implies also generally require small time steps for numerical stability and/or accuracy. It is commonly assumed that the inner wall layers are near equilibrium, so that the standard logarithmic law can be applied as the boundary condition for the wall stress well away from the wall, for example, in the logarithmic region, obviating the need to expend large amounts of grid points and computational time in this region. This approach is commonly employed in LES of planetary boundary layers, and it has also been used for some simple engineering flows. In order to calculate accurately a wall-bounded flow with coarse wall resolution, one requires the wall stress as a boundary condition. The goal of this work is to determine the extent to which equilibrium and boundary layer assumptions are valid in the near-wall regions, to develop models for the inner layer based on such assumptions, and to test these modeling ideas in some relatively simple flows with different pressure gradients, such as channel flow and flow over a backward-facing step. Ultimately, models that perform adequately in these situations will be applied to more complex flow configurations, such as an airfoil.

Cabot, W.↗
DOE OSTI2025

Coefficient-to-Basis Network: a fine-tunable operator learning framework for inverse problems with adaptive discretizations and theoretical guarantees

We propose a Coefficient-to-Basis Network (C2BNet), a novel framework for solving inverse problems within the operator learning paradigm. C2BNet efficiently adapts to different discretizations through fine-tuning, using a pre-trained model to significantly reduce computational cost while maintaining high accuracy. Unlike traditional approaches that require retraining from scratch for new discretizations, our method enables seamless adaptation without sacrificing predictive performance. Furthermore, we establish theoretical approximation and generalization error bounds for C2BNet by exploiting low-dimensional structures in the underlying datasets. Our analysis demonstrates that C2BNet adapts to low-dimensional structures without relying on explicit encoding mechanisms, highlighting its robustness and efficiency. To validate our theoretical findings, we conducted extensive numerical experiments that showcase the superior performance of C2BNet on several inverse problems. The results confirm that C2BNet effectively balances computational efficiency and accuracy, making it a promising tool to solve inverse problems in scientific computing and engineering applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Machine Learning Methods for Connection RTT and Loss Rate Estimation Using MPI Measurements Under Random Losses

Scientific computations are expected to be increasingly distributed across wide-area networks, and Message Passing Interface (MPI) has been shown to scale to support their communications over long distances. Application-level measurements of MPI operations reflect the connection Round-Trip Time (RTT) and loss rate, and machine learning methods have been previously developed to estimate them under deterministic periodic losses. In this paper, we consider more complex, random losses with unform, Poisson and Gaussian distributions. We study five disparate machine leaning methods, with linear and non-linear, and smooth and non-smooth properties, to estimate RTT and loss rate over 10Gbps connections with 0-366ms RTT. The diversity and complexity of these estimators combined with the randomness of losses and TCP’s non-linear response together rule out the selection of a single best among them; instead, we fuse them to retain their design diversity. Overall, the results show that accurate estimates can be generated at low loss rates but become inaccurate at loss rates 10% and higher, thereby illustrating both their strengths and limitations.

Generalization Bounds↗
DOE OSTI2020

Submodular optimization problems and greedy strategies: A survey

The greedy strategy is an approximation algorithm to solve optimization problems arising in decision making with multiple actions. How effective is the greedy strategy compared to the optimal solution? In this survey, we mainly consider two classes of optimization problems where the objective function is submodular. The first is set submodular optimization, which is to choose a set of actions to optimize a set submodular objective function, and the second is string submodular optimization, which is to choose an ordered set of actions to optimize a string submodular function. Our emphasis here is on performance bounds for the greedy strategy in submodular optimization problems. Specifically, we review performance bounds for the greedy strategy, more general and improved bounds in terms of curvature, performance bounds for the batched greedy strategy, and performance bounds for Nash equilibria.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Exploratory analysis and performance prediction of big data transfer in High-performance Networks

Big data transfer in large-scale scientific and business applications is increasingly carried out over connections with guaranteed bandwidth provisioned in High-performance Networks (HPNs) via advance bandwidth reservation. Provisioning agents need to carefully schedule data transfer requests, compute network paths, and allocate appropriate bandwidths. Such reserved bandwidths, if not fully utilized, could be simply wasted due to the exclusive access during the approved time window, and cause extra overhead and complexity for resource management. This calls for accurate performance prediction to reserve bandwidths that match actual needs and avoid over-provisioning. We employ machine learning algorithms to predict big data transfer performance based on extensive performance measurements collected in the past several years from data transfer tests using different protocols and toolkits between various end sites on several real-life physical or emulated testbeds. We first analyze the performance patterns in response to a comprehensive list of parameters in end-host systems, network connections, and data transfer applications, which motivate the use of machine learning and also help us identify the effects of latent factors. We then propose threshold- and clustering-based methods to eliminate negative effects of latent factors in data preprocessing and build a robust performance predictor based on customized domain-oriented loss functions. The performance of the proposed methods is verified by extensive experiments using SVR and RFR as well as theoretical analysis of the general performance bound.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Anthropogenic Contributions to the 2021 Pacific Northwest Heatwave

Abstract Daily maximum temperatures during the 2021 heatwave in the Pacific Northwest United States and Canada shattered century old records. Multiple causal factors, including anthropogenic climate change, contributed to these high temperatures, challenging traditional methods of attributing human influence. We demonstrate that the observed 2021 daily maximum temperatures are far above the bounds of Generalized Extreme Value distributions fitted from historical data. Hence, confidence in Granger causal inference statements about the human influence on this heatwave is low. Alternatively, we present a more conditional hindcast attribution study using two regional models. We performed ensembles of simulations of the heatwave to investigate how the event would have changed if it had occurred without anthropogenic climate change and with future warming. We found that global warming caused a ∼0.8°C–1°C increase in heatwave temperatures. Future warming would lead to a ∼5°C increase in heatwave temperature by the end of the 21st century.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Time Correlations from Steady-State Expectation Values

Recovering properties of correlation functions is typically challenging. On the one hand, experimentally, it requires measurements with a temporal resolution finer than the system’s dynamics. On the other hand, analytical or numerical analysis requires solving the system evolution. Here, we use recent results of quantum metrology with continuous measurements to derive general lower bounds on the relaxation and second-order correlation times that are both easy to calculate and measure. These bounds are based solely on steady-state expectation values and their derivatives with respect to a system parameter, and can be readily extended to the autocorrelation of arbitrary observables. We validate our method on two examples of critical quantum systems: a critical driven-dissipative resonator, where the bound matches analytical results for the dynamics, and the infinite-range Ising model, where only the steady state is solvable, and thus the bound provides information beyond the reach of existing analytical approaches. Our results can be applied to the experimental characterization of ultrafast systems and to the theoretical analysis of many-body models whose dynamics are hard to compute.

Górecki, Wojciech [INFN, Pavia] (ORCID:00000001991↗
DOE OSTI2026

Fault-tolerant resource comparison of qudit and qubit encodings for diagonal quadratic operators

Finite local Hilbert-space truncations arise naturally in quantum simulations of lattice field theories and motivate qudit encodings, but their fault-tolerant advantage over qubit encodings remains unclear. We compare the non-Clifford cost of implementing quadratic diagonal evolutions, exemplified by 𝑈 = 𝑒$^{−𝑖⁢𝑡⁢𝜙^2_𝑥}$ in a uniform field-amplitude discretization of a real scalar field, using either one logical 𝑑-level qudit or 𝑛 𝑏 = ⌈log 2⁡ 𝑑⌉ logical qubits. We analyze two standard settings: product-formula simulation and linear combination of unitaries (LCU) per block encoding, taking the resource metric to be the number of non-Clifford gates after synthesis into a discrete logical gate set. Because tight synthesis bounds for general single-qudit rotations are not known, we express the qudit constructions in terms of embedded two-level SU⁡(2) rotations and derive explicit finite-𝑑 break-even conditions for their synthesis cost; these serve as compiler targets for when qudit encodings can outperform the qubit baseline. Within the constructive models studied here, product-formula implementations would require an exponentially stronger per-primitive synthesis advantage for qudits to win asymptotically, while in the LCU setting the qubit encoding is asymptotically cheaper in 𝑑. Nevertheless, the finite-𝑑 threshold analysis identifies low-dimensional regions in which qudits can yield meaningful constant-factor savings, particularly for LCU-based implementations. As a secondary analysis of the LCU construction, we use an idealized negligible-overhead qubit-qudit code-switching model to give an absolute 𝑇-count comparison and reinterpret the savings as an allowable per-switch overhead budget.

Godwood, Samuel [Univ. of Liverpool (United Kingdo↗
DOE OSTI2020

Scrambling versus relaxation in Fermi and non-Fermi liquids

In this work, we compute the Lyapunov exponent characterizing quantum scrambling in a family of generalized Sachdev- Ye-Kitaev models, which can be tuned between different low temperature states from Fermi liquids, through non-Fermi liquids, to fast scramblers. The analytic calculation, controlled by a small coupling constant and large $\textit{N}$, allows us to clarify the relations between the quasiparticle relaxation rate $\textit{1/τ}$ and the Lyapunov exponent $λ_L$ characterizing scrambling. In the Fermi liquid states we find that the quasiparticle relaxation rate dictates the Lyapunov exponent. In non-Fermi liquids, where $1/τ \gg T$, we find that $λ_L$ is always $\textit{T}$ linear with a prefactor that is independent of the coupling constant in the limit of weak coupling. Instead it is determined by a scaling exponent that characterizes the relaxation rate. $λ_L$ approaches the general upper bound 2$\textit{πT}$ at the transition to a fast scrambling state. Finally, in a marginal Fermi liquid state the exponent is linear in temperature with a prefactor that vanishes as a nonanalytic function ~$g\text{ln}(1/g)$ of the coupling constant $\textit{g}$.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Perturbative Stability and Error-Correction Thresholds of Quantum Codes

Topologically ordered phases are stable to local perturbations, and topological quantum error-correcting codes enjoy thresholds to local errors. We connect the two notions of stability by constructing classical statistical mechanics models for decoding general Calderbank-Shor-Steane codes and classical linear codes. Our construction encodes correction success probabilities under uncorrelated bit-flip and phase-flip errors, and simultaneously describes a generalized ℤ 2 lattice-gauge theory with quenched disorder. We observe that the clean limit of the latter is precisely the discretized imaginary-time path integral of the corresponding quantum code Hamiltonian when the errors are turned into a perturbative 𝑋 or 𝑍 magnetic field. Motivated by error-correction considerations, we define general order parameters for all such generalized ℤ 2 lattice-gauge theories, and show that they are generally lower bounded by success probabilities of error correction. For CSS codes satisfying the low-density parity-check condition and with a sufficiently large code distance, we prove the existence of a low-temperature ordered phase of the corresponding lattice-gauge theories, particularly for those lacking Euclidean spatial locality and/or when there is a nonzero code rate. We further argue that these results provide evidence for stable phases in the corresponding perturbed quantum Hamiltonians, obtained in the limit of continuous imaginary time. To do so, we distinguish space- and timelike defects in the lattice-gauge theory. A high free-energy cost of spacelike defects corresponds to a successful “memory experiment” and suppresses the energy splitting among the ground states, while a high free-energy cost of timelike defects corresponds to a successful “stability experiment” and points to a nonzero gap to local excitations.

quantum error correction↗
DOE OSTI2023

Machine Learning-Based Model Predictive Control of Two-Time-Scale Systems

In this study, we present a general form of nonlinear two-time-scale systems, where singular perturbation analysis is used to separate the dynamics of the slow and fast subsystems. Machine learning techniques are utilized to approximate the dynamics of both subsystems. Specifically, a recurrent neural network (RNN) and a feedforward neural network (FNN) are used to predict the slow and fast state vectors, respectively. Moreover, we investigate the generalization error bounds for these machine learning models approximating the dynamics of two-time-scale systems. Next, under the assumption that the fast states are asymptotically stable, our focus shifts toward designing a Lyapunov-based model predictive control (LMPC) scheme that exclusively employs the RNN to predict the dynamics of the slow states. Additionally, we derive sufficient conditions to guarantee the closed-loop stability of the system under the sample-and-hold implementation of the controller. A nonlinear chemical process example is used to demonstrate the theory. In particular, two RNN models are constructed: one to model the full two-time-scale system and the other to predict solely the slow state vector. Both models are integrated within the LMPC scheme, and we compare their closed-loop performance while assessing the computational time required to execute the LMPC optimization problem.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1976

Convolutional code performance in the Rician fading channel

The performance of short constraint length convolutional codes in conjunction with binary phase-shift keyed (BPSK) modulation and Viterbi maximum likelihood decoding on the classical Rician fading channel is examined in detail. Primary interest is in the bit error probability performance as a function of E sub b/N sub 0 parameterized by the fading channel parameters. Fairly general upper bounds on bit error probability performance in the presence of fading are obtained and compared with simulation results in the two extremes of zero channel memory and infinite channel memory. The efficacy of simple block interleaving in combating the memory of the channel is thoroughly explored. Results include the effects of fading on tracking loop performance and the subsequent impact on overall coded system performance. The approach is analytical where possible; otherwise resort is made to digital computer simulation.

Modestino, J. W.↗
NASA NTRS1975

Performance of coded MFSK in a Rician fading channel

The performance of convolutional codes in conjunction with noncoherent multiple frequency shift-keyed (MFSK) modulation and Viterbi maximum likelihood decoding on a Rician fading channel is examined in detail. While the primary motivation underlying this work has been concerned with system performance on the planetary entry channel, it is expected that the results are of considerably wider interest. Particular attention is given to modeling the channel in terms of a few meaningful parameters which can be correlated closely with the results of theoretical propagation studies. Fairly general upper bounds on bit error probability performance in the presence of fading are derived and compared with simulation results using both unquantized and quantized receiver outputs. The effects of receiver quantization and channel memory are investigated and it is concluded that the coded noncoherent MFSK system offers an attractive alternative to coherent BPSK in providing reliable low data rate communications in fading channels typical of planetary entry missions.

Modestino, J. W.↗