Representability-Aware Neural Networks for Reduced Density Matrices: Application to Fractional Chern Insulators

We develop a representability-aware and interpolable neural network (NN) framework for predicting two-particle reduced density matrices (2-RDMs). The NN incorporates a subset of representability conditions through its architecture and loss function, and can operate on different momentum meshes, enabling evaluating the representability conditions across multiple meshes, which we call interpolated representability condition. The framework can be used either to predict 2-RDMs on large momentum meshes by interpolating exact results from small meshes, or as a variational 2-RDM ansatz optimized by energy minimization on arbitrary meshes. We apply this approach to the fractional Chern insulator in the one-band projected model of twisted bilayer MoTe$_2$ at twist angle $3.89^\circ$ and hole filling $2/3$. Trained on exact-diagonalization (ED) 2-RDMs from meshes with $12$ or $18$ momentum points using six different NN architectures, the best NN is the residual multilayer perceptron, which predicts the $6\times6$ 2-RDM with $97.07\%-98.18\%$ accuracy relative to the ED 2-RDM but predicts an energy $77.353$ meV above ED ground-state energy. We then variationally optimize the NN on several meshes including $6\times6$, predicting a $6\times 6$ energy of just $0.104$ meV below ED while maintaining $98.94\%-98.96\%$ accuracy. Compared with the conventional boundary-point semidefinite programming, which gives an energy $5.560$ meV below ED with $96.40\%-98.94\%$ accuracy, the NN achieves a more accurate energy and similar accuracy while using only less than 1/20 as many parameters. Eventually, we add a symmetric mesh of $48$ momentum points to the variational optimization of the NN, and provide a prediction of the many-body ground-state energy and the many-body quantum metric on that mesh.

Pruning-induced phases in fully-connected neural networks: the eumentia, the dementia, and the amentia

Modern neural networks are heavily overparameterized, and pruning, which removes redundant neurons or connections, has emerged as a key approach to compressing them without sacrificing performance. However, while practical pruning methods are well developed, whether pruning induces sharp phase transitions in the neural networks and, if so, to what universality class they belong, remain open questions. To address this, we study fully-connected neural networks trained on MNIST, independently varying the dropout (i.e., removing neurons) rate at both the training and evaluation stages to map the phase diagram. We identify three distinct phases: eumentia (the network learns), dementia (the network has forgotten), and amentia (the network cannot learn), sharply distinguished by the power-law scaling of the cross-entropy loss with the training dataset size. {In the eumentia phase, the algebraic decay of the loss, as documented in the machine learning literature as neural scaling laws, is from the perspective of statistical mechanics the hallmark of quasi-long-range order.} We demonstrate that the transition between the eumentia and dementia phases is accompanied by scale invariance, with a diverging length scale that exhibits hallmarks of a Berezinskii-Kosterlitz-Thouless-like transition; the phase structure is robust across different network widths and depths. Our results establish that dropout-induced pruning provides a concrete setting in which neural network behavior can be understood through the lens of statistical mechanics.

Unreasonable effectiveness of unsupervised learning in identifying Majorana topology

In unsupervised learning, the training data for deep learning does not come with any labels, thus forcing the algorithm to discover hidden patterns in the data for discerning useful information. This, in principle, could be a powerful tool in identifying topological order since topology does not always manifest in obvious physical ways (e.g., topological superconductivity) for its decisive confirmation. The problem, however, is that unsupervised learning is a difficult challenge, necessitating huge computing resources, which may not always work. In the current work, we combine unsupervised and supervised learning using an autoencoder to establish that unlabeled data in the Majorana splitting in realistic short disordered nanowires may enable not only a distinction between `topological' and `trivial', but also where their crossover happens in the relevant parameter space. This may be a useful tool in identifying topology in Majorana nanowires.

Quantum Many-Body Physics Calculations with Large Language Models

Large language models (LLMs) have demonstrated an unprecedented ability to perform complex tasks in multiple domains, including mathematical and scientific reasoning. We demonstrate that with carefully designed prompts, LLMs can accurately carry out key calculations in research papers in theoretical physics. We focus on a broadly used approximation method in quantum physics: the Hartree-Fock method, requiring an analytic multi-step calculation deriving approximate Hamiltonian and corresponding self-consistency equations. To carry out the calculations using LLMs, we design multi-step prompt templates that break down the analytic calculation into standardized steps with placeholders for problem-specific information. We evaluate GPT-4's performance in executing the calculation for 15 research papers from the past decade, demonstrating that, with correction of intermediate steps, it can correctly derive the final Hartree-Fock Hamiltonian in 13 cases and makes minor errors in 2 cases. Aggregating across all research papers, we find an average score of 87.5 (out of 100) on the execution of individual calculation steps. Overall, the requisite skill for doing these calculations is at the graduate level in quantum condensed matter theory. We further use LLMs to mitigate the two primary bottlenecks in this evaluation process: (i) extracting information from papers to fill in templates and (ii) automatic scoring of the calculation steps, demonstrating good results in both cases. The strong performance is the first step for developing algorithms that automatically explore theoretical hypotheses at an unprecedented scale.