Machine Learning for Quantum Many-Body Systems

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Monday, June 12, 20239:00 AM RegistrationRegistration9:00 AM - 9:55 AM9:55 AM Welcome and Opening Remarks - Roger Melko (Perimeter Institute & University of Waterloo)Welcome and Opening Remarks
- Roger Melko (Perimeter Institute & University of Waterloo)

9:55 AM - 10:00 AMRoom: PI/1-100 - Theatre ZOOM: https://pitp.zoom.us/j/94595394881?pwd=OUZSSXpzYlhFcGlIRm81Y3VaYVpCQT0910:00 AM [Virtual] Exploring Quantum Science with Machine Learning - Di Luo (Massachusetts Institute of Technology)[Virtual] Exploring Quantum Science with Machine Learning- Di Luo (Massachusetts Institute of Technology)

10:00 AM - 10:45 AMRoom: PI/1-100 - Theatre ZOOM: https://pitp.zoom.us/j/94595394881?pwd=OUZSSXpzYlhFcGlIRm81Y3VaYVpCQT0910:45 AM Coffee BreakCoffee Break10:45 AM - 11:15 AMRoom: PI/1-124 - Lower Bistro11:15 AM 2D quantum matter with neural quantum states - Markus Heyl (Max Planck Institute for the Physics of Complex Systems)2D quantum matter with neural quantum states- Markus Heyl (Max Planck Institute for the Physics of Complex Systems)

11:15 AM - 12:00 PMRoom: PI/1-100 - Theatre ZOOM: https://pitp.zoom.us/j/94595394881?pwd=OUZSSXpzYlhFcGlIRm81Y3VaYVpCQT09 Neural quantum states (NQSs) have emerged as a novel promising numerical method to solve the quantum many-body problem. However, it has remained a central challenge to train modern large-scale deep network architectures to desired quantum state accuracy, which would be vital in utilizing the full power of NQSs and making them competitive or superior to conventional numerical approaches. Here, we propose a minimum-step stochastic reconfiguration (MinSR) method that reduces the optimization complexity by orders of magnitude while keeping similar accuracy as compared to conventional stochastic reconfiguration. MinSR allows for accurate training on unprecedentedly deep NQS with up to 64 layers and more than 105 parameters in the spin-1/2 Heisenberg J1-J2 models on the square lattice. We find that this approach yields better variational energies as compared to existing numerical results and we further observe that the accuracy of our ground state calculations approaches different levels of machine precision on modern GPU and TPU hardware. The MinSR method opens up the potential to make NQS superior as compared to conventional computational methods with the capability to address yet inaccessible regimes for two-dimensional quantum matter in the future.12:00 PM LunchLunch12:00 PM - 2:00 PMRoom: PI/2-251 - Upper Bistro2:00 PM Near Term Distributed Quantum Computation using Optimal Auxiliary Encoding - Abigail McClain Gomez (Harvard University)Near Term Distributed Quantum Computation using Optimal Auxiliary Encoding- Abigail McClain Gomez (Harvard University)

2:00 PM - 2:45 PMRoom: PI/1-100 - Theatre ZOOM: https://pitp.zoom.us/j/94595394881?pwd=OUZSSXpzYlhFcGlIRm81Y3VaYVpCQT092:45 PM Coffee BreakCoffee Break2:45 PM - 3:15 PMRoom: PI/1-124 - Lower Bistro3:15 PM Dimension reduction of the Functional Renormalization Group - Jiawei Zang (Columbia University)Dimension reduction of the Functional Renormalization Group- Jiawei Zang (Columbia University)

3:15 PM - 3:45 PMRoom: PI/1-100 - Theatre ZOOM: https://pitp.zoom.us/j/94595394881?pwd=OUZSSXpzYlhFcGlIRm81Y3VaYVpCQT09 In this work, we use data-driven methods to reduce the dimensionality of the vertex function for the Hubbard model and spin liquid model. By employing a deep learning architecture based on the autoencoder, we show that the functional renormalization group (FRG) dynamics can be efficiently learned. Our approach is compared with other methods, including principal component analysis and dynamic mode decomposition. Our results demonstrate the effectiveness of our proposed approach for understanding the FRG flow in these models.3:45 PM Neural quantum states for simulating strongly interacting fermions in continuous space - Jannes Nys ( École Polytechnique Fédérale de Lausanne)Neural quantum states for simulating strongly interacting fermions in continuous space- Jannes Nys ( École Polytechnique Fédérale de Lausanne)

3:45 PM - 4:15 PMRoom: PI/1-100 - Theatre ZOOM: https://pitp.zoom.us/j/94595394881?pwd=OUZSSXpzYlhFcGlIRm81Y3VaYVpCQT09 We introduce a novel neural quantum state architecture for the accurate simulation of extended, strongly interacting fermions in continuous space. The variational state is parameterized via permutation equivariant message passing neural networks to transform single-particle coordinates to highly correlated quasi-particle coordinates. We show the versatility and accuracy of this Ansatz by simulating the ground-state of the 3D homogeneous electron gas at different densities and system sizes. Our model respects basic symmetries of the Hamiltonian, such as continuous translation symmetries. We compare our ground-state energies to results obtained by different state-of-the-art NQS Ansaetze for continuous space, as well as to different quantum chemistry methods. We obtain better or comparable ground-state energies, while using orders of magnitudes less variational parameters and optimization steps. We investigate its capability of identifying and representing different phases of matter without imposing any structural bias toward a given phase. We scale up to system sizes of N=128 particles, opening the door for future work on finite-size extrapolations to the thermodynamic limit.4:15 PM Self-organized DiscussionsSelf-organized Discussions4:15 PM - 5:15 PM -
Tuesday, June 13, 202310:00 AM Automated Characterization of Engineered Quantum Materials - Eliška Greplová (Delft University)Automated Characterization of Engineered Quantum Materials
- Eliška Greplová (Delft University)

10:00 AM - 10:45 AMRoom: PI/1-100 - Theatre10:45 AM Coffee BreakCoffee Break10:45 AM - 11:15 AMRoom: PI/1-124 - Lower Bistro11:15 AM Learning Feynman Diagrams with Tensor Trains - Xavier Waintal (CEA Grenoble)Learning Feynman Diagrams with Tensor Trains- Xavier Waintal (CEA Grenoble)

11:15 AM - 12:00 PMRoom: PI/1-100 - Theatre12:00 PM LunchLunch12:00 PM - 1:30 PMRoom: PI/2-251 - Upper Bistro1:30 PM Data-centric learning of Quantum Many-body States with Classical Machines - Eun-Ah Kim (Cornell University)Data-centric learning of Quantum Many-body States with Classical Machines- Eun-Ah Kim (Cornell University)

1:30 PM - 2:15 PMRoom: PI/1-100 - Theatre2:15 PM Coffee BreakCoffee Break2:15 PM - 2:45 PMRoom: PI/1-124 - Lower Bistro2:45 PM Quantum and Classical Dynamics from a Time Dependent Variational Principle - Moritz Reh (Heidelberg University)Quantum and Classical Dynamics from a Time Dependent Variational Principle- Moritz Reh (Heidelberg University)

2:45 PM - 3:15 PMRoom: PI/1-100 - Theatre3:15 PM A QMC study of the Rydberg phase diagram - Anna Knörr (Perimeter Institute)A QMC study of the Rydberg phase diagram- Anna Knörr (Perimeter Institute)

3:15 PM - 3:45 PMRoom: PI/1-100 - Theatre3:45 PM BreakBreak3:45 PM - 4:00 PMRoom: PI/1-124 - Lower Bistro4:00 PM Colloquium - Neil Turok (University of Edinburgh)Colloquium- Neil Turok (University of Edinburgh)

4:00 PM - 5:30 PMRoom: PI/1-100 - Theatre -
Wednesday, June 14, 202310:00 AM [VIRTUAL] A deep variational free energy approach to dense hydrogen - Lei Wang (Chinese Academy of Sciences)[VIRTUAL] A deep variational free energy approach to dense hydrogen
- Lei Wang (Chinese Academy of Sciences)

10:00 AM - 11:00 AMRoom: PI/1-100 - Theatre Dense hydrogen, the most abundant matter in the visible universe, exhibits a range of fascinating physical phenomena such as metallization and high-temperature superconductivity, with significant implications for planetary physics and nuclear fusion research. Accurate prediction of the equations of state and phase diagram of dense hydrogen has long been a challenge for computational methods. In this talk, we present a deep generative model-based variational free energy approach to tackle the problem of dense hydrogen, overcoming the limitations of traditional computational methods. Our approach employs a normalizing flow network to model the proton Boltzmann distribution and a fermionic neural network to model the electron wavefunction at given proton positions. The joint optimization of these two neural networks leads to a comparable variational free energy to previous coupled electron-ion Monte Carlo calculations. Our results suggest that hydrogen in planetary conditions is even denser than previously estimated using Monte Carlo and ab initio molecular dynamics methods. Having reliable computation of the equation of state for dense hydrogen, and in particular, direct access to its entropy and free energy, opens new opportunities in planetary modeling and high-pressure physics research.11:00 AM Coffee BreakCoffee Break11:00 AM - 11:30 AMRoom: PI/1-124 - Lower Bistro11:30 AM Quantum-enhanced reinforcement learning - Valeria Saggio (Massachusetts Institute of Technology)Quantum-enhanced reinforcement learning- Valeria Saggio (Massachusetts Institute of Technology)

11:30 AM - 12:15 PMRoom: PI/1-100 - Theatre The field of artificial intelligence (AI) has experienced major developments over the last decade. Within AI, of particular interest is the paradigm of reinforcement learning (RL), where autonomous agents learn to accomplish a given task via feedback exchange with the world they are placed in, called an environment. Thanks to impressive advances in quantum technologies, the idea of using quantum physics to boost the performance of RL agents has been recently drawing the attention of many scientists. In my talk I will focus on the bridge between RL and quantum mechanics, and show how RL has proven amenable to quantum enhancements. I will provide an overview of the most recent results — for example, the development of agents deciding faster on their next move [1]— and I will then focus on how the learning time of an agent can be reduced using quantum physics. I will show that such a reduction can be achieved and quantified only if the agent and the environment can also interact quantumly, that is, if they can communicate via a quantum channel [2]. This idea has been implemented on a quantum platform that makes use of single photons as information carriers. The achieved speed-up in the agent’s learning time, compared to the fully classical picture, confirms the potential of quantum technologies for future RL applications. [1] Sriarunothai, T. et al. Quantum Science and Technology 4, 015014 (2018). [2] Saggio, V. et al. Nature 591, 229–233 (2021).12:15 PM LunchLunch12:15 PM - 2:00 PMRoom: PI/2-251 - Upper Bistro2:00 PM Unsupervised detection of quantum phases and their order parameters from projective measurements - Anna Dawid (Flatiron Institute)Unsupervised detection of quantum phases and their order parameters from projective measurements- Anna Dawid (Flatiron Institute)

2:00 PM - 2:30 PMRoom: PI/1-100 - Theatre Recently, machine learning has become a powerful tool for detecting quantum phases. While the sole information about the presence of transition is valuable, the lack of interpretability and knowledge on the detected order parameter prevents this tool from becoming a customary element of a physicist's toolbox. Here, we report designing a special convolutional neural network with adaptive kernels, which allows for fully interpretable and unsupervised detection of local order parameters out of spin configurations measured in arbitrary bases. With the proposed architecture, we detect relevant and simplest order parameters for the one-dimensional transverse-field Ising model from any combination of projective measurements in the x, y, or z basis. Moreover, we successfully tackle the bilinear-biquadratic spin-1 model with a nontrivial nematic order. We also consider extending the proposed approach to detecting topological order parameters. This work can lead to integrating machine learning methods with quantum simulators studying new exotic phases of matter.2:30 PM Investigating Topological Order with Recurrent Neural Network Wave Functions - Mohamed Hibat Allah (Vector Institute)Investigating Topological Order with Recurrent Neural Network Wave Functions- Mohamed Hibat Allah (Vector Institute)

2:30 PM - 3:00 PMRoom: PI/1-100 - Theatre Recurrent neural networks (RNNs), originally developed for natural language processing, hold great promise for accurately describing strongly correlated quantum many-body systems. In this talk, we will illustrate how to use 2D RNNs to investigate two prototypical quantum many-body Hamiltonians exhibiting topological order. Specifically, we will demonstrate that RNN wave functions can effectively capture the topological order of the toric code and a Bose-Hubbard spin liquid on the kagome lattice by estimating their topological entanglement entropies. Overall, we will show that RNN wave functions constitute a powerful tool for studying phases of matter beyond Landau's symmetry-breaking paradigm.3:00 PM Coffee BreakCoffee Break3:00 PM - 3:30 PMRoom: PI/1-124 - Lower Bistro3:30 PM Ethics PROBES: Artificial Intelligence, Machine Learning, & Quantum Computing - Gus Skorburg (University of Guelph)Ethics PROBES: Artificial Intelligence, Machine Learning, & Quantum Computing- Gus Skorburg (University of Guelph)

3:30 PM - 4:15 PMRoom: PI/1-100 - Theatre4:15 PM Discussion Session: The Ethics of Quantum and AI - Gus Skorburg (University of Guelph)Discussion Session: The Ethics of Quantum and AI- Gus Skorburg (University of Guelph)

4:15 PM - 5:30 PMRoom: PI/3-394 - Skyroom5:30 PM Poster Session and SocialPoster Session and Social5:30 PM - 7:00 PMRoom: PI/2-251 - Upper Bistro -
Thursday, June 15, 202310:00 AM [VIRTUAL] Emergent Classicality from Information Bottleneck - Yi-Zhuang You (University of California, San Diego)[VIRTUAL] Emergent Classicality from Information Bottleneck
- Yi-Zhuang You (University of California, San Diego)

10:00 AM - 10:45 AMRoom: PI/1-100 - Theatre Our universe is quantum, but our everyday experience is classical. Where is the boundary between quantum and classical worlds? How does classical reality emerge in quantum many-body systems? Does the collapse of the quantum states involve intelligence? These are fundamental questions that have puzzled physicists and philosophers for centuries. The recent development of quantum information science and artificial intelligence offers new opportunities to investigate these old problems. In this talk, we present our preliminary research on using a transformer-based language model to process randomized measurement data collected from Schrödinger’s cat quantum state. We show that the classical reality emerges in the language model due to the information bottleneck: although our training data contains the full quantum information of Schrödinger’s cat, a weak language model can only learn the classical reality of the cat from the data. Our study opens up a new avenue for using the big data generated on noisy intermediate-scale quantum (NISQ) devices to train generative models for representation learning of quantum operators, which might be a step toward our ultimate goal of creating an artificial intelligence quantum physicist.10:45 AM Coffee BreakCoffee Break10:45 AM - 11:15 AMRoom: PI/1-124 - Lower Bistro11:15 AM Talk - tbc - Stefanie Czischek (University of Ottawa)Talk - tbc- Stefanie Czischek (University of Ottawa)

11:15 AM - 12:00 PMRoom: PI/1-100 - Theatre12:00 PM LunchLunch12:00 PM - 2:00 PMRoom: PI/2-251 - Upper Bistro2:00 PM Panel Discussion - Edwin Miles Stoudenmire ( Flatiron Institute Center for Computational Quantum Physics) Eliška Greplová (Delft University) Juan Felipe Carrasquilla (Vector Institute) Mykola Maksymenko (Haiqu)Panel Discussion- Edwin Miles Stoudenmire ( Flatiron Institute Center for Computational Quantum Physics)
- Eliška Greplová (Delft University)
- Juan Felipe Carrasquilla (Vector Institute)
- Mykola Maksymenko (Haiqu)

2:00 PM - 3:30 PMRoom: PI/1-100 - Theatre3:30 PM Coffee Break and group photoCoffee Break and group photo3:30 PM - 4:00 PMRoom: PI/1-124 - Lower Bistro4:00 PM Machine Learning of Conserved Quantities and Symmetry Invariants - Sebastian Wetzel (University of Waterloo)Machine Learning of Conserved Quantities and Symmetry Invariants- Sebastian Wetzel (University of Waterloo)

4:00 PM - 4:45 PMRoom: PI/1-100 - Theatre4:45 PM Solving 2D quantum matter with neural quantum states - Markus Heyl (Max Planck Institute for the Physics of Complex Systems)Solving 2D quantum matter with neural quantum states- Markus Heyl (Max Planck Institute for the Physics of Complex Systems)

4:45 PM - 5:30 PMRoom: PI/1-100 - Theatre Neural quantum states (NQSs) have emerged as a novel promising numerical method to solve the quantum many-body problem. However, it has remained a central challenge to train modern large-scale deep network architectures to desired quantum state accuracy, which would be vital in utilizing the full power of NQSs and making them competitive or superior to conventional numerical approaches. Here, we propose a minimum-step stochastic reconfiguration (MinSR) method that reduces the optimization complexity by orders of magnitude while keeping similar accuracy as compared to conventional stochastic reconfiguration. MinSR allows for accurate training on unprecedentedly deep NQS with up to 64 layers and more than 105 parameters in the spin-1/2 Heisenberg J1-J2 models on the square lattice. We find that this approach yields better variational energies as compared to existing numerical results and we further observe that the accuracy of our ground state calculations approaches different levels of machine precision on modern GPU and TPU hardware. The MinSR method opens up the potential to make NQS superior as compared to conventional computational methods with the capability to address yet inaccessible regimes for two-dimensional quantum matter in the future.5:30 PM BBQ and PI Community NightBBQ and PI Community Night5:30 PM - 7:30 PMRoom: PI/1-124 - Lower Bistro -
Friday, June 16, 202310:00 AM The Quantum Cartpole - Evert van Nieuwenburg (Leiden University)The Quantum Cartpole
- Evert van Nieuwenburg (Leiden University)

10:00 AM - 10:45 AMRoom: PI/1-100 - Theatre How do you control something you can not look at? For controlling quantum systems, information on the system’s state could come through weak measurements. Such measurements provide some information, but will inevitably also perturb the system, meaning there is noise both in the state estimation as well as in the measurement. We study a simple single particle quantum setup (the quantum equivalent of the instability problem known as the cartpole problem) and investigate several control methods including reinforcement learning, and compare their performance.10:45 AM Coffee BreakCoffee Break10:45 AM - 11:15 AMRoom: PI/1-124 - Lower Bistro11:15 AM Quantum HyperNetworks: Training Binary Neural Networks in Quantum Superposition - Estelle Inack (Perimeter Institute)Quantum HyperNetworks: Training Binary Neural Networks in Quantum Superposition- Estelle Inack (Perimeter Institute)

11:15 AM - 12:00 PMRoom: PI/1-100 - Theatre Binary neural networks, i.e., neural networks whose parameters and activations are constrained to only two possible values, offer a compelling avenue for the deployment of deep learning models on energy- and memory-limited devices. However, their training, architectural design, and hyperparameter tuning remain challenging as these involve multiple computationally expensive combinatorial optimization problems. Here we introduce quantum hypernetworks as a mechanism to train binary neural networks on quantum computers, which unify the search over parameters, hyperparameters, and architectures in a single optimization loop. Through classical simulations, we demonstrate that of our approach effectively finds optimal parameters, hyperparameters and architectural choices with high probability on classification problems including a two-dimensional Gaussian dataset and a scaled-down version of the MNIST handwritten digits. We represent our quantum hypernetworks as variational quantum circuits, and find that an optimal circuit depth maximizes the probability of finding performant binary neural networks. Our unified approach provides an immense scope for other applications in the field of machine learning.12:10 PM Closing Remarks - Roger Melko (Perimeter Institute & University of Waterloo)Closing Remarks- Roger Melko (Perimeter Institute & University of Waterloo)

12:10 PM - 12:15 PMRoom: PI/1-100 - Theatre12:30 PM LunchLunch12:30 PM - 2:00 PMRoom: PI/2-251 - Upper Bistro2:00 PM Self-organized DiscussionsSelf-organized Discussions2:00 PM - 4:00 PM4:00 PM Friday SocialFriday Social4:00 PM - 5:00 PMRoom: PI/1-124 - Lower Bistro