Ying-Jer Kao

Haining Pan, James V. Roggeveen, Erez Berg et al.

Large language models (LLMs) have shown remarkable progress in coding and math problem-solving, but evaluation on advanced research-level problems in hard sciences remains scarce. To fill this gap, we present CMT-Benchmark, a dataset of 50 problems covering condensed matter theory (CMT) at the level of an expert researcher. Topics span analytical and computational approaches in quantum many-body, and classical statistical mechanics. The dataset was designed and verified by a panel of expert researchers from around the world. We built the dataset through a collaborative environment that challenges the panel to write and refine problems they would want a research assistant to solve, including Hartree-Fock, exact diagonalization, quantum/variational Monte Carlo, density matrix renormalization group (DMRG), quantum/classical statistical mechanics, and model building. We evaluate LLMs by programmatically checking solutions against expert-supplied ground truth. We developed machine-grading, including symbolic handling of non-commuting operators via normal ordering. They generalize across tasks too. Our evaluations show that frontier models struggle with all of the problems in the dataset, highlighting a gap in the physical reasoning skills of current LLMs. Notably, experts identified strategies for creating increasingly difficult problems by interacting with the LLMs and exploiting common failure modes. The best model, GPT5, solves 30\% of the problems; average across 17 models (GPT, Gemini, Claude, DeepSeek, Llama) is 11.4$\pm$2.1\%. Moreover, 18 problems are solved by none of the 17 models, and 26 by at most one. These unsolved problems span Quantum Monte Carlo, Variational Monte Carlo, and DMRG. Answers sometimes violate fundamental symmetries or have unphysical scaling dimensions. We believe this benchmark will guide development toward capable AI research assistants and tutors.

Amrita Ghosh, Mugdha Sarkar, Ying-Jer Kao et al.

We propose the use of the ``spin-opstring", derived from Stochastic Series Expansion Quantum Monte Carlo (QMC) simulations as machine learning (ML) input data. It offers a compact, memory-efficient representation of QMC simulation cells, combining the initial state with an operator string that encodes the state's evolution through imaginary time. Using supervised ML, we demonstrate the input's effectiveness in capturing both conventional and topological phase transitions, and in a regression task to predict non-local observables. We also demonstrate the capability of spin-opstring data in transfer learning by training models on one quantum system and successfully predicting on another, as well as showing that models trained on smaller system sizes generalize well to larger ones. Importantly, we illustrate a clear advantage of spin-opstring over conventional spin configurations in the accurate prediction of a quantum phase transition. Finally, we show how the inherent structure of spin-opstring provides an elegant framework for the interpretability of ML predictions. Using two state-of-the-art interpretability techniques, Layer-wise Relevance Propagation and SHapley Additive exPlanations, we show that the ML models learn and rely on physically meaningful features from the input data. Together, these findings establish the spin-opstring as a broadly-applicable and interpretable input format for ML in quantum many-body physics.

Samuel Yen-Chi Chen, Chih-Min Huang, Chia-Wei Hsing et al.

Recent advance in classical reinforcement learning (RL) and quantum computation (QC) points to a promising direction of performing RL on a quantum computer. However, potential applications in quantum RL are limited by the number of qubits available in the modern quantum devices. Here we present two frameworks of deep quantum RL tasks using a gradient-free evolution optimization: First, we apply the amplitude encoding scheme to the Cart-Pole problem; Second, we propose a hybrid framework where the quantum RL agents are equipped with hybrid tensor network-variational quantum circuit (TN-VQC) architecture to handle inputs with dimensions exceeding the number of qubits. This allows us to perform quantum RL on the MiniGrid environment with 147-dimensional inputs. We demonstrate the quantum advantage of parameter saving using the amplitude encoding. The hybrid TN-VQC architecture provides a natural way to perform efficient compression of the input dimension, enabling further quantum RL applications on noisy intermediate-scale quantum devices.

Samuel Yen-Chi Chen, Chih-Min Huang, Chia-Wei Hsing et al.

We introduce a hybrid model combining a quantum-inspired tensor network and a variational quantum circuit to perform supervised learning tasks. This architecture allows for the classical and quantum parts of the model to be trained simultaneously, providing an end-to-end training framework. We show that compared to the principal component analysis, a tensor network based on the matrix product state with low bond dimensions performs better as a feature extractor for the input data of the variational quantum circuit in the binary and ternary classification of MNIST and Fashion-MNIST datasets. The architecture is highly adaptable and the classical-quantum boundary can be adjusted according the availability of the quantum resource by exploiting the correspondence between tensor networks and quantum circuits.

Samuel Yen-Chi Chen, Chih-Min Huang, Chia-Wei Hsing et al.

One key step in performing quantum machine learning (QML) on noisy intermediate-scale quantum (NISQ) devices is the dimension reduction of the input data prior to their encoding. Traditional principle component analysis (PCA) and neural networks have been used to perform this task; however, the classical and quantum layers are usually trained separately. A framework that allows for a better integration of the two key components is thus highly desirable. Here we introduce a hybrid model combining the quantum-inspired tensor networks (TN) and the variational quantum circuits (VQC) to perform supervised learning tasks, which allows for an end-to-end training. We show that a matrix product state based TN with low bond dimensions performs better than PCA as a feature extractor to compress data for the input of VQCs in the binary classification of MNIST dataset. The architecture is highly adaptable and can easily incorporate extra quantum resource when available.