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Christopher Roth

Publications and source records attributed to Christopher Roth.

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Large scale neural quantum states reveal the interplay between superconductivity and quantum criticality in the Hofstadter-Hubbard model

Understanding how a parent insulating state shapes the superconductivity that emerges upon doping is a long-standing problem dating back to Anderson's resonating-valence-bond proposal. The triangular-lattice Hofstadter-Hubbard model with $\pi/2$ flux per plaquette offers an ideal setting: at half filling it hosts two distinct parent states---an integer quantum Hall insulator and a chiral spin liquid---separated by a topological phase transition. Using neural quantum states on tori of up to $432$ sites, we present strong evidence that the transition is continuous, with a vanishing $2e$ charge gap and critical charge fluctuations. Upon doping, we find a topological superconductor on either side of the transition. While the pairing order parameter remains nearly unchanged across the transition, the superfluid stiffness is strongly enhanced near the critical point. The energy scale of the superconductor is therefore set not by which parent state is doped, but by proximity to the transition between them. Our results establish neural quantum states as a powerful tool for understanding the interplay between unconventional electronic correlations and superconductivity.

cond-mat.str-el

Beyond Variational Bias: Resolving Intertwined Orders in the Hubbard Model

The two-dimensional Hubbard model at finite doping hosts competing or intertwined orders, resulting in conflicting conclusions from different computational approaches regarding its ground state. We show that a key source of such discrepancies is the bias encoded in the variational ansatz. We consider three different Transformer backflow fermionic wave functions based on a Slater determinant, its particle-hole counterpart, and a Pfaffian, initialized without any mean-field pretraining. We show that, despite achieving nearly degenerate, state-of-the-art variational energies, each ansatz converges to a state with qualitatively different spin, charge, and pairing correlations. Upon improving accuracy via symmetry restoration and variance reduction, however, all three converge to the same physical picture: coexisting superconducting and stripe orders. These results demonstrate that variational energy alone is insufficient to identify the ground state in the presence of competing phases, and highlight the importance of tracking how correlation functions evolve as the wave function is systematically improved before drawing physical conclusions.

cond-mat.str-el

EngineAD: A Real-World Vehicle Engine Anomaly Detection Dataset

The progress of Anomaly Detection (AD) in safety-critical domains, such as transportation, is severely constrained by the lack of large-scale, real-world benchmarks. To address this, we introduce EngineAD, a novel, multivariate dataset comprising high-resolution sensor telemetry collected from a fleet of 25 commercial vehicles over a six-month period. Unlike synthetic datasets, EngineAD features authentic operational data labeled with expert annotations, distinguishing normal states from subtle indicators of incipient engine faults. We preprocess the data into $300$-timestep segments of $8$ principal components and establish an initial benchmark using nine diverse one-class anomaly detection models. Our experiments reveal significant performance variability across the vehicle fleet, underscoring the challenge of cross-vehicle generalization. Furthermore, our findings corroborate recent literature, showing that simple classical methods (e.g., K-Means and One-Class SVM) are often highly competitive with, or superior to, deep learning approaches in this segment-based evaluation. By publicly releasing EngineAD, we aim to provide a realistic, challenging resource for developing robust and field-deployable anomaly detection and anomaly prediction solutions for the automotive industry.

cs.LG

Simulating superconductivity in mixed-dimensional $t_\parallel$-${J}_\parallel$-${J}_\perp$ bilayers with neural quantum states

Motivated by the recent discovery of superconductivity in the bilayer nickelate La$_3$Ni$_2$O$_7$ (LNO) under pressure, we study a mixed-dimensional (mixD) bilayer $t_\parallel$-$J_\parallel$-$J_\perp$ model, which has been proposed as an effective low-energy description of LNO. Using neural quantum states (NQS), and in particular Gutzwiller-projected Hidden Fermion Pfaffian State, we access the ground-state properties on large lattices up to $8\times 8\times 2$ sites. We show that this model exhibits superconductivity across a wide range of dopings and couplings, and analyze the pairing behavior in detail. We identify a crossover from tightly bound, Bose-Einstein-condensed interlayer pairs at strong interlayer exchange to more spatially extended Bardeen-Cooper-Schrieffer-like pairs as the interlayer exchange is decreased. Furthermore, upon tuning the intralayer exchange, we observe a sharp transition from interlayer $s$-wave pairing to intralayer $d$-wave pairing, consistent with a first-order change in the pairing symmetry. We verify that our simulations are accurate by comparing with matrix product state simulations on coupled ladders. Our results represent the first simulation of a fermionic multi-orbital system with NQS, and provide the first evidence for superconductivity in two-dimensonal bilayers using high-precision numerics. These findings provide insight into superconductivity in bilayer nickelates and cold atom quantum simulation platforms.

cond-mat.str-el

lrux: Fast low-rank updates of determinants and Pfaffians in JAX

We present lrux, a JAX-based software package for fast low-rank updates of determinants and Pfaffians, targeting the dominant computational bottleneck in various quantum Monte Carlo (QMC) algorithms. The package implements efficient low-rank updates that reduce the cost of successive wavefunction evaluations from $\mathcal{O}(n^3)$ to $\mathcal{O}(n^2k)$ when the update rank $k$ is smaller than the dimension $n$ of matrices. Both determinant and Pfaffian updates are supported, together with delayed-update strategies that trade floating-point operations for reduced memory traffic on modern accelerators. lrux natively integrates with JAX transformations such as JIT compilation, vectorization, and automatic differentiation, and supports both real and complex data types. Benchmarks on GPUs demonstrate up to $1000\times$ speedup at large matrix sizes. lrux enables scalable, high-performance evaluation of antisymmetric wavefunctions and is designed as a drop-in component for a wide range of QMC workflows. lrux is available at https://github.com/ChenAo-Phys/lrux.

cond-mat.str-el

Superconductivity in the two-dimensional Hubbard model revealed by neural quantum states

Whether the ground state of the square lattice Hubbard model exhibits superconductivity remains a major open question, central to understanding high temperature cuprate superconductors and ultra-cold fermions in optical lattices. Numerical studies have found evidence for stripe-ordered states and superconductivity at strong coupling but the phase diagram remains controversial. Here, we show that one can resolve the subtle energetics of metallic, superconducting, and stripe phases using a new class of neural quantum state (NQS) wavefunctions that extend hidden fermion determinant states to Pfaffians. We simulate several hundred electrons using fast Pfaffian algorithms allowing us to measure off-diagonal long range order. At strong coupling and low hole-doping, we find that a non-superconducting filled stripe phase prevails, while superconductivity coexisting with partially-filled stripes is stabilized by a negative next neighbor hopping t-prime, with |t-prime| > 0.1. At larger doping levels, we introduce momentum-space correlation functions to mitigate finite size effects that arise from weakly-bound pairs. These provide evidence for uniform d-wave superconductivity at U = 4, even when t-prime = 0. Our results highlight the potential of NQS approaches, and provide a fresh perspective on superconductivity in the square lattice Hubbard model.

cond-mat.supr-con

Double descent: When do neural quantum states generalize?

Neural quantum states (NQS) provide flexible and compact wavefunction parameterizations for numerical studies of quantum many-body physics. In particular, NQS aim to circumvent the exponential scaling of the Hilbert space by compressing quantum many-body wavefunctions with a tractable amount of parameters. While inspired by deep learning, it remains unclear to what extent NQS share characteristics with neural networks used for standard machine learning tasks. We demonstrate that, in a simplified supervised setting, NQS exhibit the double descent phenomenon, a key feature of modern deep learning, where generalization worsens as network size increases before improving again in an overparameterized regime. Notably, we find the second descent to occur only for network sizes much larger than the Hilbert space dimension, i.e. network sizes that are out of reach for problems of practical interest. Within our setting, this observation places typical NQS in the underparameterized regime. We also observe that the optimal network size in the underparameterized regime depends on the number of unique training samples. While the double descent phenomenon does indeed translate to the NQS setting, potential practical consequences of our findings point more towards the need for symmetry-aware, physics-informed architecture design, rather than directly adopting machine learning heuristics.

cond-mat.dis-nn

Neural Network-Augmented Pfaffian Wave-functions for Scalable Simulations of Interacting Fermions

Developing accurate numerical methods for strongly interacting fermions is crucial for improving our understanding of various quantum many-body phenomena, especially unconventional superconductivity. Recently, neural quantum states have emerged as a promising approach for studying correlated fermions, highlighted by the hidden fermion and backflow methods, which use neural networks to model corrections to fermionic quasiparticle orbitals. In this work, we expand these ideas to the space of Pfaffians, a wave-function that naturally expresses superconducting pairings, and propose the hidden fermion Pfaffian state (HFPS), which flexibly represents both unpaired and superconducting phases and scales to large systems with favorable asymptotic complexity. In our numerical experiments, HFPS provides state-of-the-art variational accuracy in different regimes of both the attractive and repulsive Hubbard models. We show that the HFPS is able to capture both s-wave and d-wave pairing, and therefore may be a useful tool for modeling phases with unconventional superconductivity.

cond-mat.str-el

Connectivity determines the capability of sparse neural network quantum states

The Lottery Ticket Hypothesis (LTH) posits that within overparametrized neural networks, there exist sparse subnetworks that are capable of matching the performance of the original model when trained in isolation from the original initialization. We extend this hypothesis to the unsupervised task of approximating the ground state of quantum many-body Hamiltonians, a problem equivalent to finding a neural-network compression of the lowest-lying eigenvector of an exponentially large matrix. Focusing on two representative quantum Hamiltonians, the transverse field Ising model (TFIM) and the toric code (TC), we demonstrate that sparse neural networks can reach accuracies comparable to their dense counterparts, even when pruned by more than an order of magnitude in parameter count. Crucially, and unlike the original LTH, we find that performance depends only on the structure of the sparse subnetwork, not on the specific initialization, when trained in isolation. Moreover, we identify universal scaling behavior that persists across network sizes and physical models, where the boundaries of scaling regions are determined by the underlying Hamiltonian. At the onset of high-error scaling, we observe signatures of a sparsity-induced quantum phase transition that is first-order in shallow networks. Finally, we demonstrate that pruning enhances interpretability by linking the structure of sparse subnetworks to the underlying physics of the Hamiltonian.

quant-ph

Simulating the two-dimensional $t-J$ model at finite doping with neural quantum states

Simulating large, strongly interacting fermionic systems remains a major challenge for existing numerical methods. In this work, we introduce Gutzwiller projected hidden fermion determinant states (G-HFDS) to simulate the strongly interacting limit of the Fermi-Hubbard model, namely the $t$-$J$ model, across the entire doping regime. We demonstrate that the G-HFDS achieve energies competitive with matrix product states (MPS) on lattices as large as $10 \times 10$ sites while using several orders of magnitude fewer parameters, suggesting the potential for efficient application to even larger system sizes. This remarkable efficiency enables us to probe low-energy physics across the full doping range, providing new insights into the competition between kinetic and magnetic interactions and the nature of emergent quasiparticles. Starting from the low-doping regime, where magnetic polarons dominate the low energy physics, we track their evolution with increasing doping and different next-nearest neighbor hopping amplitudes through analyses of spin and polaron correlation functions as well as the Fermi surface. Our findings demonstrate the potential of determinant-based neural quantum states with inherent fermionic sign structure, opening the way for simulating large-scale fermionic systems at any particle filling.

cond-mat.str-el

High-accuracy variational Monte Carlo for frustrated magnets with deep neural networks

We show that neural quantum states based on very deep (4--16-layered) neural networks can outperform state-of-the-art variational approaches on highly frustrated quantum magnets, including quantum-spin-liquid candidates. We focus on group convolutional neural networks (GCNNs) that allow us to impose space-group symmetries on our ans\"atze. We achieve state-of-the-art ground-state energies for the $J_1-J_2$ Heisenberg models on the square and triangular lattices, in both ordered and spin-liquid phases, and discuss ways to access low-lying excited states in nontrivial symmetry sectors. We also compute spin and dimer correlation functions for the quantum paramagnetic phase on the triangular lattice, which do not indicate either conventional or valence-bond ordering.

cond-mat.str-el

NetKet 3: Machine Learning Toolbox for Many-Body Quantum Systems

We introduce version 3 of NetKet, the machine learning toolbox for many-body quantum physics. NetKet is built around neural-network quantum states and provides efficient algorithms for their evaluation and optimization. This new version is built on top of JAX, a differentiable programming and accelerated linear algebra framework for the Python programming language. The most significant new feature is the possibility to define arbitrary neural network ans\"atze in pure Python code using the concise notation of machine-learning frameworks, which allows for just-in-time compilation as well as the implicit generation of gradients thanks to automatic differentiation. NetKet 3 also comes with support for GPU and TPU accelerators, advanced support for discrete symmetry groups, chunking to scale up to thousands of degrees of freedom, drivers for quantum dynamics applications, and improved modularity, allowing users to use only parts of the toolbox as a foundation for their own code.

quant-ph

Group Convolutional Neural Networks Improve Quantum State Accuracy

Neural networks are a promising tool for simulating quantum many body systems. Recently, it has been shown that neural network-based models describe quantum many body systems more accurately when they are constrained to have the correct symmetry properties. In this paper, we show how to create maximally expressive models for quantum states with specific symmetry properties by drawing on literature from the machine learning community. We implement group equivariant convolutional networks (G-CNN) \cite{cohen2016group}, and demonstrate that performance improvements can be achieved without increasing memory use. We show that G-CNNs achieve very good accuracy for Heisenberg quantum spin models in both ordered and spin liquid regimes, and improve the ground state accuracy on the triangular lattice over other variational Monte-Carlo methods.

quant-ph

Iterative Retraining of Quantum Spin Models Using Recurrent Neural Networks

Modeling quantum many-body systems is enormously challenging due to the exponential scaling of Hilbert dimension with system size. Finding efficient compressions of the wavefunction is key to building scalable models. Here, we introduce iterative retraining, an approach for simulating bulk quantum systems that uses recurrent neural networks (RNNs). By mapping translations in the lattice vector to the time index of an RNN, we are able to efficiently capture the near translational invariance of large lattices. We show that we can use this symmetry mapping to simulate very large systems in one and two dimensions. We do so by 'growing' our model, iteratively retraining the same model on progressively larger lattices until edge effects become negligible. We argue that this scheme generalizes more naturally to higher dimensions than Density Matrix Renormalization Group.

physics.comp-ph

Coronavirus Perceptions And Economic Anxiety

We provide one of the first systematic assessments of the development and determinants of economic anxiety at the onset of the coronavirus pandemic. Using a global dataset on internet searches and two representative surveys from the US, we document a substantial increase in economic anxiety during and after the arrival of the coronavirus. We also document a large dispersion in beliefs about the pandemic risk factors of the coronavirus, and demonstrate that these beliefs causally affect individuals' economic anxieties. Finally, we show that individuals' mental models of infectious disease spread understate non-linear growth and shape the extent of economic anxiety.

econ.GN