Machine Learning from and for Quantum Science
I developed this PhD-level course at Aalto University as a project-based introduction to machine learning and quantum-inspired computational methods for quantum science. The course connects recent research papers to reproducible numerical work: students work in pairs, study one paper in depth, adapt or extend an existing computational workflow, and present both the physics and the implementation in an oral report and a documented code project.
The computational projects are organized around three themes: tensor-network methods for large nonperiodic tight-binding systems, neural quantum states for spin and fermion models, and Hamiltonian-learning inverse problems from simulated spectral data. Each project sheet includes the scientific context, suggested software stack, and concrete simulation tasks.
- Project 1.1: Self-consistent correlated states using tensor networks KPM and QTCI tensor-network methods for self-consistent correlated states and spectral functions in ultra-large nonperiodic tight-binding models.
- Project 1.2: Real-space topology using tensor networks Local topological markers from tensor-network density matrices for ultra-large nonperiodic tight-binding systems.
- Project 1.3: Momentum-resolved spectra in nonperiodic systems using tensor networks QTCI, KPM, and MPO quantum Fourier transforms for local and momentum-resolved spectral functions of quasi-periodic tight-binding models.
- Project 2.1: Neural quantum state tomography and the ANNNI model Neural quantum state tomography with RBMs, followed by a NetKet transverse-field Ising workflow extended to the ANNNI phase diagram.
- Project 2.2: Neural quantum state architectures and the XXZ model Entanglement capacity in neural-network architectures, using the NetKet Heisenberg tutorial as a starting point for the XXZ phase diagram.
- Project 2.3: Neural quantum states for fermions and the spinless t-V model Transformer neural quantum states for molecules and neural-backflow wave functions for the one-dimensional spinless t-V model.
- Project 3.1: Fermionic-chain Hamiltonian learning Nonlocal impurity tomography in a spin-orbit-coupled tight-binding chain, with machine learning used to infer microscopic parameters from spectral fingerprints.
- Project 3.2: Spin-chain Hamiltonian learning DMRGPy spin-chain dynamics and impurity tomography, building spectra-to-couplings training data from matrix-product-state simulations.
- Project 3.3: Molecular quantum magnet learning Setpoint-dependent STM-IETS simulations for a multi-orbital molecular quantum magnet, training a model to infer the spin-orbit coupling.