Mousumi Kundu, Ashish Kumar Patra, Anurag K. S. V. +4quant-ph cs.ET cs.LG physics.chem-ph
Quantum Phase Estimation (QPE) is a foundational algorithm for molecular ground-state energy estimation, but its deep circuit requirements make direct hardware execution impractical on Noisy Intermediate-Scale Quantum (NISQ) devices. We present an analytically grounded variational surrogate framework in which a shallow Variational Quantum Circuit (VQC) is trained to reproduce the QPE measurement distribution without any quantum circuit simulation. The training target is computed entirely classically via the Dirichlet kernel, evaluated directly from the Full Configuration Interaction (FCI) ground-state energy, the ancilla qubit count, and the time evolution parameter, eliminating the exponentially scaling simulation bottleneck of prior surrogate approaches. We apply this framework to the hydrogen molecule (H$_2$) with a symmetry-tapered Hamiltonian, conducting a four-stage experimental investigation on IBM Quantum hardware. Stage 1 compares linear and full entangler topologies for the $R_Y$-$R_Z$-$CZ$ ansatz, with and without XpXm Dynamical Decoupling (DD), across four distributional metrics (Hellinger distance, fidelity error, total variation distance, Jensen-Shannon divergence), identifying the linear entangler as optimal. Stage 2 varies VQC layers ($p=1$ to $5$) for the linear-entangler ansatz, identifying single-layer depth as optimal under hardware noise. Stage 3 applies this configuration to the reduced $R_Y$-$CZ$ ansatz, comparing ideal and noisy simulator-trained parameters. A supplementary noise analysis at $p \in \{8,64\}$ characterizes the depth-dependent interplay between circuit depth and DD effectiveness. The framework enables faithful QPE mimicry using a linearly scaling VQC, recovering the ground-state energy within the chemical accuracy threshold (1 kcal/mol), constituting a scalable, hardware-efficient paradigm for QPE-based molecular energy estimation on NISQ devices.
Samira Malek, Haichuan Zhang, Chul Lee +1cs.CV cs.AI
While most image deblurring techniques directly restore the spatial image variable, we propose an amplitude and phase decomposition recognizing the importance of accurate phase estimation in recovering sharp image details. To that end, we first develop novel linear minimum mean squared (LMMSE) estimators of the amplitude and phase of the blurred, noisy image observation. An iterative optimization algorithm follows that recovers the sharp image using the aforementioned LMMSE estimators. Finally, matrix parameters that are statistically determined and fixed in the iterative algorithm are now learned using a training dataset of clean and degraded observations. Our deblurring engine is dubbed UPADNet (Unrolled Phase and Amplitude Decomposition Network), such that each iteration of the underlying phase and amplitude recovery algorithm is parameterized and trained end-to-end. Experiments over benchmark evaluation datasets such as GoPro, RealBlur and COCO datasets confirm that UPADNet outperforms state of the art deep networks including those based on algorithm unrolling in the image domain. The benefits of UPADNet are even more pronounced in high noise and limited training data regimes.
Complex neural quantum states are difficult to optimize when their wavefunction phase carries gauge, chiral, fermionic, or topological structure. We show that the major failure mode is not only ansatz expressivity, but the Monte Carlo estimator used to learn this phase. For separated amplitude-phase states, differentiating the local energy at fixed samples gives a different unbiased estimator of the same variational Monte Carlo phase force, without changing the objective. We further extend the construction to coupled two-head networks by keeping the amplitude-gradient contribution and applying the direct derivative only to the phase path. An adaptive minimum-variance mixture interpolates between standard and direct estimators during training. Across flux ladders, chiral chains, two-dimensional flux cylinders, an interacting fermion ladder, shared-network controls, and a fractional quantum Hall benchmark, the resulting estimators reduce phase-gradient variance, suppress seed failures, and often move multi-percent standard-gradient plateaus to sub-percent accuracy.