arXiv:2607. 11701v1 Announce Type: cross Abstract: Quantitative Structure-Activity Relationship ($\mathtt{QSAR}$) modeling is a foundational computational methodology in early-stage drug discovery, heavily relied upon for predicting compound toxicity, bioavailability, and therapeutic potential.
arXiv:2508. 19437v2 Announce Type: replace-cross Abstract: The importance of analyzing nontrivial datasets when testing quantum machine learning (QML) models is becoming increasingly prominent in literature, yet a cohesive framework for understanding dataset characteristics remains elusive.
arXiv:2606. 30170v1 Announce Type: cross Abstract: Generative molecular design is shaped by simple proxy benchmarks for drug-like properties and models pretrained on large pharmaceutical datasets.
arXiv:2601. 00921v3 Announce Type: replace-cross Abstract: Chronic obstructive pulmonary disease (COPD) affects hundreds of millions of people worldwide, and skeletal-muscle dysfunction is clinically important.
arXiv:2503. 17020v2 Announce Type: replace-cross Abstract: Kernel methods compare inputs through feature maps.
arXiv:2606. 14194v1 Announce Type: cross Abstract: This paper presents a two-stage Hybrid Classical-Quantum (HCQ) pipeline for binary Alzheimer's disease (AD) classification from 3D T1-weighted structural MRI volumes, where the classical and quantum components are designed to complement each other rather than operate independently.
arXiv:2510. 03389v2 Announce Type: replace-cross Abstract: Current quantum computers require algorithms that use limited resources economically.
arXiv:2607. 01080v1 Announce Type: new Abstract: We investigate Gaussian process (GP) bandit optimization with quantum kernels, assuming the mean reward function lies in the reproducing kernel Hilbert space (RKHS) induced by the quantum kernel.
arXiv:2607. 22516v1 Announce Type: cross Abstract: A central design principle in modern machine learning and artificial intelligence is to align a model's inductive bias with the structure of its input data.
arXiv:2606. 17077v1 Announce Type: cross Abstract: Proton dissociation constants (pKa) are critical for functional molecule discovery and molecular modeling.
arXiv:2607. 18281v1 Announce Type: cross Abstract: Finding exact solutions to the quantum many-body problem is computationally intractable (QMA-hard).
arXiv:2607. 19782v1 Announce Type: cross Abstract: Kernel methods are powerful tools in machine learning but commonly used full-Gram kernels face three key limitations: (1) quadratic scaling with training set size; (2) the use of fixed, non-trainable kernels; and (3) the absence of an intrinsic formulation for multiclass classification.
arXiv:2412. 09557v3 Announce Type: replace-cross Abstract: Quantum kernel learning (QKL) promises efficient machine learning by encoding feature maps onto exponentially large Hilbert spaces inherent in quantum systems.