Terra Quantum AG
Abstract:Data-driven surrogates can replace expensive multiphysics solvers for parametric PDEs, yet building compact, accurate neural operators for three-dimensional problems remains challenging: in Fourier Neural Operators, dense mode-wise spectral channel mixing scales linearly with the number of retained Fourier modes, inflating parameter counts and limiting real-time deployability. We introduce HQ-LP-FNO, a hybrid quantum-classical FNO that replaces a configurable fraction of these dense spectral blocks with a compact, mode-shared variational quantum circuit mixer whose parameter count is independent of the Fourier mode budget. A parameter-matched classical bottleneck control is co-designed to provide a rigorous evaluation framework. Evaluated on three-dimensional surrogate modeling of high-energy laser processing, coupling heat transfer, melt-pool convection, free-surface deformation, and phase change, HQ-LP-FNO reduces trainable parameters by 15.6% relative to a classical baseline while lowering phase-fraction mean absolute error by 26% and relative temperature MAE from 2.89% to 2.56%. A sweep over the quantum-channel budget reveals that a moderate VQC allocation yields the best temperature metrics across all tested configurations, including the fully classical baseline, pointing toward an optimal classical-quantum partitioning. The ablation confirms that mode-shared mixing, naturally implemented by the VQC through its compact circuit structure, is the dominant contributor to these improvements. A noisy-simulator study under backend-calibrated noise from ibm-torino confirms numerical stability of the quantum mixer across the tested shot range. These results demonstrate that VQC-based parameter-efficient spectral mixing can improve neural operator surrogates for complex multiphysics problems and establish a controlled evaluation protocol for hybrid quantum operator learning in practice.
Abstract:High-fidelity simulations of laser welding capture complex thermo-fluid phenomena, including phase change, free-surface deformation, and keyhole dynamics, however their computational cost limits large-scale process exploration and real-time use. In this work we present the Laser Processing Fourier Neural Operator (LP-FNO), a Fourier Neural Operator (FNO) based surrogate model that learns the parametric solution operator of various laser processes from multiphysics simulations generated with FLOW-3D WELD (registered trademark). Through a novel approach of reformulating the transient problem in the moving laser frame and applying temporal averaging, the system results in a quasi-steady state setting suitable for operator learning, even in the keyhole welding regime. The proposed LP-FNO maps process parameters to three-dimensional temperature fields and melt-pool boundaries across a broad process window spanning conduction and keyhole regimes using the non-dimensional normalized enthalpy formulation. The model achieves temperature prediction errors on the order of 1% and intersection-over-union scores for melt-pool segmentation over 0.9. We demonstrate that a LP-FNO model trained on coarse-resolution data can be evaluated on finer grids, yielding accurate super-resolved predictions in mesh-converged conduction regimes, whereas discrepancies in keyhole regimes reflect unresolved dynamics in the coarse-mesh training data. These results indicate that the LP-FNO provides an efficient surrogate modeling framework for laser welding, enabling prediction of full three-dimensional fields and phase interfaces over wide parameter ranges in just tens of milliseconds, up to a hundred thousand times faster than traditional Finite Volume multi-physics software.
Abstract:Hardware-efficient circuits employed in Quantum Machine Learning are typically composed of alternating layers of uniformly applied gates. High-speed numerical simulators for such circuits are crucial for advancing research in this field. In this work, we numerically benchmark universal and gate-specific techniques for simulating the action of layers of gates on quantum state vectors, aiming to accelerate the overall simulation of Quantum Machine Learning algorithms. Our analysis shows that the optimal simulation method for a given layer of gates depends on the number of qubits involved, and that a tailored combination of techniques can yield substantial performance gains in the forward and backward passes for a given circuit. Building on these insights, we developed a numerical simulator, named TQml Simulator, that employs the most efficient simulation method for each layer in a given circuit. We evaluated TQml Simulator on circuits constructed from standard gate sets, such as rotations and CNOTs, as well as on native gates from IonQ and IBM quantum processing units. In most cases, our simulator outperforms equivalent Pennylane's default_qubit simulator by up to a factor of 10, depending on the circuit, the number of qubits, the batch size of the input data, and the hardware used.