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Jorge I. Hernandez-Martinez

Publications and source records attributed to Jorge I. Hernandez-Martinez.

2 recordsLinked to original sources

Empirical Characterization of Learning Geometry in Hybrid Quantum Forecasting Models

We characterize the learning dynamics of a compact hybrid quantum forecasting model through comparison with a structurally aligned classical baseline. Using stationary harmonic-mixture and nonstationary chirp benchmarks with controlled spectral complexity and data availability, we analyze empirical Neural Tangent Kernel dynamics through kernel-target alignment, kernel drift, spectral concentration, and training loss. The classical model exhibits stronger early target alignment, whereas the hybrid model generally develops a less concentrated kernel spectrum and smaller kernel drift. Despite these distinct optimization geometries, both architectures attain similar held-out performance across the evaluated regimes. Notably, the hybrid model uses 125 trainable parameters compared with 281 for the classical baseline and reaches its validation-selected checkpoint earlier in 15 of 18 frequency conditions. A Fourier-augmented classical baseline does not reproduce the observed training behavior, while a controlled re-uploading ablation shows that repeated encoding systematically modifies both optimization and kernel geometry. These results demonstrate that comparable generalization can emerge from substantially different learning trajectories and that individual NTK diagnostics do not provide monotonic predictors of validation convergence. Rather than claiming a general quantum advantage, the study identifies architecture-dependent learning behavior that is masked by endpoint accuracy alone.

cs.LG↗

Configuration Interaction Guided Sampling with Interpretable Restricted Boltzmann Machine

We propose a data-driven approach using a Restricted Boltzmann Machine (RBM) to solve the Schrödinger equation in configuration space. Traditional Configuration Interaction (CI) methods construct the wavefunction as a linear combination of Slater determinants, but this becomes computationally expensive due to the factorial growth in the number of configurations. Our approach extends the use of a generative model such as the RBM by incorporating a taboo list strategy to enhance efficiency and convergence. The RBM is used to efficiently identify and sample the most significant determinants, thus accelerating convergence and substantially reducing computational cost. This method achieves up to 99.99% of the correlation energy while using up to four orders of magnitude fewer determinants compared to full CI calculations and up to two orders of magnitude fewer than previous state of the art methods. Beyond efficiency, our analysis reveals that the RBM learns electron distributions over molecular orbitals by capturing quantum patterns that resemble Radial Distribution Functions (RDFs) linked to molecular bonding. This suggests that the learned pattern is interpretable, highlighting the potential of machine learning for explainable quantum chemistry

cs.LG↗