Yajie Ji

Yanlai Chen, Yajie Ji, Akil Narayan et al.

We introduce the Transformed Generative Pre-Trained Physics-Informed Neural Networks (TGPT-PINN) for accomplishing nonlinear model order reduction (MOR) of transport-dominated partial differential equations in an MOR-integrating PINNs framework. Building on the recent development of the GPT-PINN that is a network-of-networks design achieving snapshot-based model reduction, we design and test a novel paradigm for nonlinear model reduction that can effectively tackle problems with parameter-dependent discontinuities. Through incorporation of a shock-capturing loss function component as well as a parameter-dependent transform layer, the TGPT-PINN overcomes the limitations of linear model reduction in the transport-dominated regime. We demonstrate this new capability for nonlinear model reduction in the PINNs framework by several nontrivial parametric partial differential equations.

Shirui Wang, Zhihui Tang, Huaxia Yang et al.

Large language models (LLMs) hold promise in clinical decision support but face major challenges in safety evaluation and effectiveness validation. We developed the Clinical Safety-Effectiveness Dual-Track Benchmark (CSEDB), a multidimensional framework built on clinical expert consensus, encompassing 30 criteria covering critical areas like critical illness recognition, guideline adherence, and medication safety, with weighted consequence measures. Thirty-two specialist physicians developed and reviewed 2,069 open-ended Q&A items aligned with these criteria, spanning 26 clinical departments to simulate real-world scenarios. Benchmark testing of six LLMs revealed moderate overall performance (average total score 57.2%, safety 54.7%, effectiveness 62.3%), with a significant 13.3% performance drop in high-risk scenarios (p < 0.0001). Domain-specific medical LLMs showed consistent performance advantages over general-purpose models, with relatively higher top scores in safety (0.912) and effectiveness (0.861). The findings of this study not only provide a standardized metric for evaluating the clinical application of medical LLMs, facilitating comparative analyses, risk exposure identification, and improvement directions across different scenarios, but also hold the potential to promote safer and more effective deployment of large language models in healthcare environments.

Yajie Ji, Jiuyang Liang, Zhenli Xu

Machine-learning interatomic potentials have emerged as a revolutionary class of force-field models in molecular simulations, delivering quantum-mechanical accuracy at a fraction of the computational cost and enabling the simulation of large-scale systems over extended timescales. However, they often focus on modeling local environments, neglecting crucial long-range interactions. We propose a Sum-of-Gaussians Neural Network (SOG-Net), a lightweight and versatile framework for integrating long-range interactions into machine learning force field. The SOG-Net employs a latent-variable learning network that seamlessly bridges short-range and long-range components, coupled with an efficient Fourier convolution layer that incorporates long-range effects. By learning sum-of-Gaussians multipliers across different convolution layers, the SOG-Net adaptively captures diverse long-range decay behaviors while maintaining close-to-linear computational complexity during training and simulation via non-uniform fast Fourier transforms. The method is demonstrated effective for a broad range of long-range systems.

Jiayuan She, Lin Shi, Peiqi Li et al.

Background. Infectious diseases, particularly COVID-19, continue to be a significant global health issue. Although many countries have reduced or stopped large-scale testing measures, the detection of such diseases remains a propriety. Objective. This study aims to develop a novel, lightweight deep neural network for efficient, accurate, and cost-effective detection of COVID-19 using a nasal breathing audio data collected via smartphones. Methodology. Nasal breathing audio from 128 patients diagnosed with the Omicron variant was collected. Mel-Frequency Cepstral Coefficients (MFCCs), a widely used feature in speech and sound analysis, were employed for extracting important characteristics from the audio signals. Additional feature selection was performed using Random Forest (RF) and Principal Component Analysis (PCA) for dimensionality reduction. A Dense-ReLU-Dropout model was trained with K-fold cross-validation (K=3), and performance metrics like accuracy, precision, recall, and F1-score were used to evaluate the model. Results. The proposed model achieved 97% accuracy in detecting COVID-19 from nasal breathing sounds, outperforming state-of-the-art methods such as those by [23] and [13]. Our Dense-ReLU-Dropout model, using RF and PCA for feature selection, achieves high accuracy with greater computational efficiency compared to existing methods that require more complex models or larger datasets. Conclusion. The findings suggest that the proposed method holds significant potential for clinical implementation, advancing smartphone-based diagnostics in infectious diseases. The Dense-ReLU-Dropout model, combined with innovative feature processing techniques, offers a promising approach for efficient and accurate COVID-19 detection, showcasing the capabilities of mobile device-based diagnostics

Yanlai Chen, Yajie Ji, Zhenli Xu

The Lifshitz-Petrich (LP) model is a classical model for describing complex spatial patterns such as quasicrystals and multiphase structures. Solving and classifying the solutions of the LP model is challenging due to the presence of high-order gradient terms and the long-range orientational order characteristic of the quasicrystals. To address these challenges, we propose a Derivative-informed Graph Convolutional Autoencoder (DiGCA) to classify the multi-component multi-state solutions of the LP model. The classifier consists of two stages. In the offline stage, the DiGCA phase classifier innovatively incorporates both solutions and their derivatives for training a graph convolutional autoencoder which effectively captures intricate spatial dependencies while significantly reducing the dimensionality of the solution space. In the online phase, the framework employs a neural network classifier to efficiently categorize encoded solutions into distinct phase diagrams. The numerical results demonstrate that the DiGCA phase classifier accurately solves the LP model, classifies its solutions, and rapidly generates detailed phase diagrams in a robust manner, offering significant improvements in both efficiency and accuracy over traditional methods.

Yajie Ji, Yanlai Chen, Shawn Koohy

We propose S$^2$GPT-PINN, a sparse and small model for solving parametric partial differential equations (PDEs). Similar to Small Language Models (SLMs), S$^2$GPT-PINN is tailored to domain-specific (families of) PDEs and characterized by its compact architecture and minimal computational power. Leveraging a small amount of extremely high quality data via a mathematically rigorous greedy algorithm that is enabled by the large full-order models, S$^2$GPT-PINN relies on orders of magnitude less parameters than PINNs to achieve extremely high efficiency via two levels of customizations. The first is knowledge distillation via task-specific activation functions that are transferred from Pre-Trained PINNs. The second is a judicious down-sampling when calculating the physics-informed loss of the network compressing the number of data sites by orders of magnitude to the size of the small model.