SearcharxivSearch

arXiv subjects

Peyman Givi

Publications and source records attributed to Peyman Givi.

At least 19 recordsLinked to original sources

Operator Learning with Variational Quantum Circuits

A new methodology is developed for quantum machine learning which enables variational quantum circuits to learn linear and non-linear solution operators to differential equations. This is devised by extending the framework of the DeepONet, a technique for modeling differential equations. The branch and trunk neural networks are replaced by variational quantum circuits, leveraging the quantum universal approximation theorem. The methodology is tested on several differential equations and yields low approximation & generalization errors even with shallow circuit depths. In addition, it does not encounter barren plateaus during training. The model displays improved error and parameter scaling relative to the classical DeepONet. This is due to the intrinsic property that the approximation error depends on the dimension of the input function space, rather than the number of sensor locations. A theoretical framework is established in the form of explicit error bounds, which measure the contributions of the truncation, branch, and trunk circuit errors to the total operator approximation error. Full derivations for the error bounds are developed in the norms $L^2$, $L^p$, $C^0$, and Sobolev $H^k$, along with a classical-quantum comparative analysis (as Supplemental Materials).

quant-ph

A priori Assessment of Tensor-Network Encoding for Isotropic Turbulent Flows

Tensor networks (TNs), originally developed for simulating many-body quantum systems, provide a systematic framework for approximating high-dimensional fields. This is achieved by factorizing the field into interconnected tensors with small bond dimensions, thereby restricting the correlations captured across field bipartitions. Belonging to the family of TNs, the matrix product state (MPS) ansatz is utilized here as a reduced-order modeling framework to construct truncated representations of isotropic turbulent flow data. Two direct numerical simulation (DNS) datasets are considered: the hydrodynamic field of an incompressible three-dimensional flow, and a conserved Fickian scalar in a similar flow. Each field is encoded as an MPS through a sequence of singular value decompositions (SVDs) in which small singular values are discarded. The truncated representation is contracted back to the full grid, and the resulting reconstructed field is compared against DNS. An interleaved ordering of the spatial tensor indices of the transport variables is applied prior to decomposition in order to localize the dominant inter-tensor correlations. Velocity reconstructions achieve $99.8\%$ fidelity using only $5\%$ of the original DNS memory, while the scalar field reaches the same fidelity at $15\%$ memory usage. A wide range of lower- and higher-order statistics, including velocity gradients, dissipation, and structure functions, are systematically examined. At these compression levels, the total kinetic energy and the scalar energy are both recovered within $0.2\%$ relative error, while the mean dissipation and mean scalar dissipation remain within approximately $10\%$ of the DNS generated values. These findings support the suitability of MPS for scalable reduced-order analysis of complex turbulent datasets and motivate further exploration of TN-based methods in computational turbulence.

physics.flu-dyn

TIDE: A Physically Diverse 3D Turbulence Benchmark Dataset for Advancing Scientific Machine Learning

Turbulence is a central testbed for machine learning on physical dynamics because its governing laws are known exactly. However, most existing studies remain in 2D, while 3D turbulence has fundamentally different physics and is far more costly to simulate. Existing 3D resources also typically provide only one realization per configuration, making it difficult to distinguish learning the dynamics from fitting the statistics of a single flow. In this paper, we introduce TIDE (Turbulent Incompressible DNS Ensembles), a 256^3 DNS corpus and benchmark for 3D incompressible turbulence, with 15 configurations on eight controlled axes, independent ensembles, pressure fields, and equation-level verification. The benchmark includes five tasks, standardized learned baselines, controlled generalization splits, and physical-fidelity metrics alongside pointwise error. Across the main forecasting configurations, current learned models barely outperform persistence and still make about twice the error of a spectral solver given the true equations. Moreover, lower pointwise error can coincide with severely distorted small-scale dynamics, showing that accuracy alone does not ensure physical fidelity. Generalization results further show that most regime shifts reflect limited training coverage, whereas forced-to-decay transfer exposes a missing conditioning variable: operators trained under forcing continue to predict driven evolution when the external drive is removed. Closing these accuracy, fidelity, and conditioning gaps is the central open problem made measurable by TIDE.

physics.flu-dyn

PEST: Physics-Enhanced Swin Transformer for 3D Turbulence Simulation

Accurate simulation of turbulent flows is fundamental to scientific and engineering applications. Direct numerical simulation (DNS) offers the highest fidelity but is computationally prohibitive, while existing data-driven alternatives struggle with stable long-horizon rollouts, physical consistency, and faithful simulation of small-scale structures. These challenges are particularly acute in three-dimensional (3D) settings, where the cubic growth of spatial degrees of freedom dramatically amplifies computational cost, memory demand, and the difficulty of capturing multi-scale interactions. To address these challenges, we propose a Physics-Enhanced Swin Transformer (PEST) for 3D turbulence simulation. PEST leverages a window-based self-attention mechanism to effectively model localized PDE interactions while maintaining computational efficiency. We introduce a frequency-domain adaptive loss that explicitly emphasizes small-scale structures, enabling more faithful simulation of high-frequency dynamics. To improve physical consistency, we incorporate Navier--Stokes residual constraints and divergence-free regularization directly into the learning objective. Extensive experiments on two representative turbulent flow configurations demonstrate that PEST achieves accurate, physically consistent, and stable autoregressive long-term simulations, outperforming existing data-driven baselines.

physics.flu-dyn

Quantum Dynamics Simulation of the Advection-Diffusion Equation

The advection-diffusion equation is simulated on a superconducting quantum computer via several quantum algorithms. Three formulations are considered: (1) Trotterization, (2) variational quantum time evolution (VarQTE), and (3) adaptive variational quantum dynamics simulation (AVQDS). These schemes were originally developed for the Hamiltonian simulation of many-body quantum systems. The finite-difference discretized operator of the transport equation is formulated as a Hamiltonian and solved without the need for ancillary qubits. Computations are conducted on a quantum simulator (IBM Qiskit Aer) and an actual quantum hardware (IBM Fez). The former emulates the latter without the noise. The predicted results are compared with direct numerical simulation (DNS) data with infidelities of the order $10^{-5}$. In the quantum simulator, Trotterization is observed to have the lowest infidelity and is suitable for fault-tolerant computation. The AVQDS algorithm requires the lowest gate count and the lowest circuit depth. The VarQTE algorithm is the next best in terms of gate counts, but the number of its optimization variables is directly proportional to the number of qubits. Due to current hardware limitations, Trotterization cannot be implemented, as it has an overwhelming large number of operations. Meanwhile, AVQDS and VarQTE can be executed, but suffer from large errors due to significant hardware noise. These algorithms present a new paradigm for computational transport phenomena on quantum computers.

quant-ph

Matrix Product State Simulation of Reacting Shear Flows

Direct numerical simulation (DNS) of turbulent reactive flows has been the subject of significant research interest for several decades. Accurate prediction of the effects of turbulence on the rate of reactant conversion, and the subsequent influence of chemistry on hydrodynamics remain a challenge in combustion modeling. The key issue in DNS is to account for the wide range of temporal and spatial physical scales that are caused by complex interactions of turbulence and chemistry. In this work, a new computational methodology is developed that is shown to provide a viable alternative to DNS. The framework is the matrix product state (MPS), a form of tensor network (TN) as used in computational many body physics. The MPS is a well-established ansatz for efficiently representing many types of quantum states in condensed matter systems, allowing for an exponential compression of the required memory compared to exact diagonalization methods. Due to the success of MPS in quantum physics, the ansatz has been adapted to problems outside its historical domain, notably computational fluid dynamics. Here, the MPS is used for computational simulation of a shear flow under non-reacting and nonpremixed chemically reacting conditions. Reductions of 30% in memory are demonstrated for all transport variables, accompanied by excellent agreements with DNS. The anastaz accurately captures all pertinent flow physics such as reduced mixing due to exothermicity & compressibility, and the formation of eddy shocklets at high Mach numbers. A priori analysis of DNS data at higher Reynolds numbers shows compressions as large as 99.99% for some of the transport variables. This level of compression is encouraging and promotes the use of MPS for simulations of complex turbulent combustion systems.

physics.flu-dyn

Provably Efficient Quantum Algorithms for Solving Nonlinear Differential Equations Using Multiple Bosonic Modes Coupled with Qubits

Quantum computers have long been expected to efficiently solve complex classical differential equations. Most digital, fault-tolerant approaches use Carleman linearization to map nonlinear systems to linear ones and then apply quantum linear-system solvers. However, provable speedups typically require digital truncation and full fault tolerance, rendering such linearization approaches challenging to implement on current hardware. Here we present an analog, continuous-variable algorithm based on coupled bosonic modes with qubit-based adaptive measurements that avoids Hilbert-space digitization. This method encodes classical fields as coherent states and, via Kraus-channel composition derived from the Koopman-von Neumann (KvN) formalism, maps nonlinear evolution to linear dynamics. Unlike many analog schemes, the algorithm is provably efficient: advancing a first-order, $L$-grid point, $d$-dimensional, order-$K$ spatial-derivative, degree-$r$ polynomial-nonlinearity, strongly dissipative partial differential equations (PDEs) for $T$ time steps costs $\mathcal{O}\left(T(\log L + d r \log K)\right)$. The capability of the scheme is demonstrated by using it to simulate the one-dimensional Burgers' equation and two-dimensional Fisher-KPP equation. The resilience of the method to photon loss is shown under strong-dissipation conditions and an analytic counterterm is derived that systematically cancels the dominant, experimentally calibrated noise. This work establishes a continuous-variable framework for simulating nonlinear systems and identifies a viable pathway toward practical quantum speedup on near-term analog hardware.

quant-ph

Skeletal Reaction Models for Gasoline Surrogate Combustion

Skeletal reaction models are derived for a four-component gasoline surrogate model via an instantaneous local sensitivity analysis technique. The sensitivities of the species mass fractions and the temperature with respect to the reaction rates are estimated by a reduced-order modeling (ROM) methodology. Termed "implicit time-dependent basis CUR (implicit TDB-CUR)," this methodology is based on the CUR matrix decomposition and incorporates implicit time integration for evolving the bases. The estimated sensitivities are subsequently analyzed to develop skeletal reaction models with a fully automated procedure. The 1389-species gasoline surrogate model developed at Lawrence Livermore National Laboratory (LLNL) is selected as the detailed kinetics model. The skeletal reduction procedure is applied to this model in a zero-dimensional constant-pressure reactor over a wide range of initial conditions. The performances of the resulting skeletal models are appraised by comparison against the results via the LLNL detailed model, and also predictions via other skeletal models. Two new skeletal models are developed consisting of 679 and 494 species, respectively. The first is an alternative to an existing model with the same number of species. The predictions with this model reproduces the detailed models vital flame results with less than 1% errors. The errors via the second model are less than 10%.

cs.CE

On-the-fly Reduced-Order Modeling of the Filter Density Function with Time-Dependent Subspaces

A dynamical low-rank approximation is developed for reduced-order modeling (ROM) of the filtered density function (FDF) transport equation, which is utilized for large eddy simulation (LES) of turbulent reacting flows. In this methodology, the evolution of the composition matrix describing the FDF transport via a set of Langevin equations is constrained to a low-rank matrix manifold. The composition matrix is approximated using a low-rank factorization, which consists of two thin, time-dependent matrices representing spatial and composition bases, along with a small time-dependent coefficient matrix. The evolution equations for spatial and composition subspaces are derived by projecting the composition transport equation onto the tangent space of the low-rank matrix manifold. Unlike conventional ROMs, such as those based on principal component analysis, both subspaces are time-dependent and the ROM does not require any prior data to extract the low-dimensional subspaces. As a result, the constructed ROM adapts on the fly to changes in the dynamics. For demonstration, LES via the time-dependent bases (TDB) is conducted of the canonical configuration of a temporally developing planar CO/H2 jet flame. The flame is rich with strong flame-turbulence interactions resulting in local extinction followed by re-ignition. The combustion chemistry is modeled via the skeletal kinetics, containing 11 species with 21 reaction steps. It is shown that the FDF-TDB yields excellent predictions of various statistics of the thermo-chemistry variables, as compared to the full-order model (FOM).

physics.flu-dyn

Tensor networks enable the calculation of turbulence probability distributions

Predicting the dynamics of turbulent fluid flows has long been a central goal of science and engineering. Yet, even with modern computing technology, accurate simulation of all but the simplest turbulent flow-fields remains impossible: the fields are too chaotic and multi-scaled to directly store them in memory and perform time-evolution. An alternative is to treat turbulence $\textit{probabilistically}$, viewing flow properties as random variables distributed according to joint probability density functions (PDFs). Turbulence PDFs are neither chaotic nor multi-scale, but are still challenging to simulate due to their high dimensionality. Here we show how to overcome the dimensionality problem by parameterising turbulence PDFs into an extremely compressed format known as a "tensor network" (TN). The TN paradigm enables simulations on single CPU cores that would otherwise be impractical even with supercomputers: for a $5+1$ dimensional PDF of a chemically reactive turbulent flow, we achieve reductions in memory and computational costs by factors of $\mathcal{O}(10^6)$ and $\mathcal{O}(10^3)$, respectively, compared to standard finite difference algorithms. A future path is opened towards something heretofore regarded as infeasible: directly simulating high-dimensional PDFs of both turbulent flows and other chaotic systems that are useful to describe probabilistically.

physics.flu-dyn

Modeling Continuous Spatial-temporal Dynamics of Turbulent Flow with Test-time Refinement

The precise simulation of turbulent flows holds immense significance across various scientific and engineering domains, including climate science, freshwater science, and energy-efficient manufacturing. Within the realm of simulating turbulent flows, large eddy simulation (LES) has emerged as a prevalent alternative to direct numerical simulation (DNS), offering computational efficiency. However, LES cannot accurately capture the full spectrum of turbulent transport scales and is present only at a lower spatial resolution. Reconstructing high-fidelity DNS data from the lower-resolution LES data is essential for numerous applications, but it poses significant challenges to existing super-resolution techniques, primarily due to the complex spatio-temporal nature of turbulent flows. This paper proposes a novel flow reconstruction approach that leverages physical knowledge to model flow dynamics. Different from traditional super-resolution techniques, the proposed approach uses LES data only in the testing phase through a degradation-based refinement approach to enforce physical constraints and mitigate cumulative reconstruction errors over time. Furthermore, a feature sampling strategy is developed to enable flow data reconstruction across different resolutions. The results on two distinct sets of turbulent flow data indicate the effectiveness of the proposed method in reconstructing high-resolution DNS data, preserving the inherent physical attributes of flow transport, and achieving DNS reconstruction at different resolutions.

physics.flu-dyn

Physics-enhanced Neural Operator for Simulating Turbulent Transport

The precise simulation of turbulent flows is of immense importance in a variety of scientific and engineering fields, including climate science, freshwater science, and the development of energy-efficient manufacturing processes. Within the realm of turbulent flow simulation, direct numerical simulation (DNS) is widely considered to be the most reliable approach, but it is prohibitively expensive for long-term simulation at fine spatial scales. Given the pressing need for efficient simulation, there is an increasing interest in building machine learning models for turbulence, either by reconstructing DNS from alternative low-fidelity simulations or by predicting DNS based on the patterns learned from historical data. However, standard machine learning techniques remain limited in capturing complex spatio-temporal characteristics of turbulent flows, resulting in limited performance and generalizability. This paper presents a novel physics-enhanced neural operator (PENO) that incorporates physical knowledge of partial differential equations (PDEs) to accurately model flow dynamics. The model is further refined by a self-augmentation mechanism to reduce the accumulated error in long-term simulations. The proposed method is evaluated through its performance on two distinct sets of 3D turbulent flow data, showcasing the model's capability to reconstruct high-resolution DNS data, maintain the inherent physical properties of flow transport, and generate flow simulations across various resolutions. Additionally, experimental results on multiple 2D vorticity flow series, generated by different PDEs, highlight the transferability and generalizability of the proposed method. This confirms its applicability to a wide range of real-world scenarios in which extensive simulations are needed under diverse settings.

physics.flu-dyn

Reconstructing Turbulent Flows Using Physics-Aware Spatio-Temporal Dynamics and Test-Time Refinement

Simulating turbulence is critical for many societally important applications in aerospace engineering, environmental science, the energy industry, and biomedicine. Large eddy simulation (LES) has been widely used as an alternative to direct numerical simulation (DNS) for simulating turbulent flows due to its reduced computational cost. However, LES is unable to capture all of the scales of turbulent transport accurately. Reconstructing DNS from low-resolution LES is critical for many scientific and engineering disciplines, but it poses many challenges to existing super-resolution methods due to the spatio-temporal complexity of turbulent flows. In this work, we propose a new physics-guided neural network for reconstructing the sequential DNS from low-resolution LES data. The proposed method leverages the partial differential equation that underlies the flow dynamics in the design of spatio-temporal model architecture. A degradation-based refinement method is also developed to enforce physical constraints and further reduce the accumulated reconstruction errors over long periods. The results on two different types of turbulent flow data confirm the superiority of the proposed method in reconstructing the high-resolution DNS data and preserving the physical characteristics of flow transport.

physics.flu-dyn

Skeletal Reaction Models for Methane Combustion

A local-sensitivity-analysis technique is employed to generate new skeletal reaction models for methane combustion from the foundational fuel chemistry model (FFCM-1). The sensitivities of the thermo-chemical variables with respect to the reaction rates are computed via the forced-optimally time dependent (f-OTD) methodology. In this methodology, the large sensitivity matrix containing all local sensitivities is modeled as a product of two low-rank time-dependent matrices. The evolution equations of these matrices are derived from the governing equations of the system. The modeled sensitivities are computed for the auto-ignition of methane at atmospheric and high pressures with different sets of initial temperatures, and equivalence ratios. These sensitivities are then analyzed to rank the most important (sensitive) species. A series of skeletal models with different number of species and levels of accuracy in reproducing the FFCM-1 results are suggested. The performances of the generated models are compared against FFCM-1 in predicting the ignition delay, the laminar flame speed, and the flame extinction. The results of this comparative assessment suggest the skeletal models with 24 and more species generate the FFCM-1 results with an excellent accuracy.

physics.chem-ph

Variational Quantum Algorithms for Computational Fluid Dynamics

Quantum computing uses the physical principles of very small systems to develop computing platforms which can solve problems that are intractable on conventional supercomputers. There are challenges not only in building the required hardware, but also in identifying the most promising application areas and developing the corresponding quantum algorithms. The availability of intermediate-scale noisy quantum computers is now propelling the developments of novel algorithms, with applications across a variety of domains, including in aeroscience. Variational quantum algorithms are particularly promising since they are comparatively noise tolerant and aim to achieve a quantum advantage with only a few hundred qubits. Furthermore, they are applicable to a wide range of optimization problems arising throughout the natural sciences and industry. To demonstrate the possibilities for the aeroscience community, we give a perspective on how variational quantum algorithms can be utilized in computational fluid dynamics. We discuss how classical problems are translated into quantum algorithms and their logarithmic scaling with problem size. As an explicit example we apply this method to Burgers' Equation in one spatial dimension. We argue that a quantum advantage over classical computing methods could be achieved by the end of this decade if quantum hardware progresses as currently envisaged and emphasize the importance of joining up development of quantum algorithms with application-specific expertise to achieve real-world impact.

quant-ph

A Quantum Inspired Approach to Exploit Turbulence Structures

Understanding turbulence is the key to our comprehension of many natural and technological flow processes. At the heart of this phenomenon lies its intricate multi-scale nature, describing the coupling between different-sized eddies in space and time. Here we introduce a new paradigm for analyzing the structure of turbulent flows by quantifying correlations between different length scales using methods inspired from quantum many-body physics. We present results for interscale correlations of two paradigmatic flow examples, and use these insights along with tensor network theory to design a structure-resolving algorithm for simulating turbulent flows. With this algorithm, we find that the incompressible Navier-Stokes equations can be accurately solved within a computational space reduced by over an order of magnitude compared to direct numerical simulation. Our quantum-inspired approach provides a pathway towards conducting computational fluid dynamics on quantum computers.

physics.flu-dyn

Reduced Order Modeling of Turbulence-Chemistry Interactions using Dynamically Bi-Orthonormal Decomposition

The performance of the dynamically bi-orthogonal (DBO) decomposition for the reduced order modeling of turbulence-chemistry interactions is assessed. DBO is an on-the-fly low-rank approximation technique, in which the instantaneous composition matrix of the reactive flow field is decomposed into a set of orthonormal spatial modes, a set of orthonormal vectors in the composition space, and a factorization of the low-rank correlation matrix. Two factors which distinguish between DBO and the reduced order models (ROMs) based on the principal component analysis (PCA) are: (i) DBO does not require any offline data generation; and (ii) in DBO the low-rank composition subspace is time-dependent as opposed to static subspaces in PCA. Because of these features, DBO can adapt on-the-fly to intrinsic and externally excited transient changes in state of the transport variables. For demonstration, simulations are conducted of a non-premixed CO/H2 flame in a temporally evolving jet. The GRI-Mech 3.0 model with 53 species is used for chemical kinetics modeling. The results are appraised via a posteriori comparisons against data generated via full-rank direct numerical simulation (DNS) of the same flame, and the PCA reduction of the DNS data. The DBO also yields excellent predictions of various statistics of the thermo-chemical variables.

physics.flu-dyn

PeleLM-FDF Large Eddy Simulator of Turbulent Combustion

A new computational methodology, termed "PeleLM-FDF" is developed and utilized for high fidelity large eddy simulation (LES) of complex turbulent combustion systems. This methodology is constructed via a hybrid scheme combining the Eulerian PeleLM base flow solver with the Lagrangian Monte Carlo simulator of the filtered density function (FDF) for the subgrid scale reactive scalars. The resulting methodology is capable of simulating some of the most intricate physics of complex turbulence-combustion interactions. This is demonstrated by LES of a non-premixed CO/H$_2$ temporally evolving jet flame. The chemistry is modelled via a skeletal kinetics model, and the results are appraised via detail a posteriori comparisons against direct numerical simulation (DNS) data of the same flame. Excellent agreements are observed for the time evolution of various statistics of the thermo-chemical quantities, including the manifolds of the multi-scalar mixing. The new methodology is capable of capturing the complex phenomena of flame-extinction and re-ignition at a 1/512 of the computational cost of the DNS. The high fidelity and the computational affordability of the new PeleLM-FDF solver warrants its consideration for LES of practical turbulent combustion systems.

physics.flu-dyn