Ravi Teja Vulchi, Carl Messerschmidt, Mohammadsadegh Vafaeinezhad +4cs.LG physics.data-an
Phase retrieval in broadband coherent anti-Stokes Raman spectroscopy (BCARS) is an ill-posed inverse problem. The Raman-like signal is encoded in the imaginary part of the resonant susceptibility, which mixes coherently with a non-resonant background (NRB) that varies across acquisitions. We introduce an inverse physics-informed neural network (iPINN) that predicts Lorentzian peak parameters from raw BCARS spectra and reconstructs the resonant susceptibility through a differentiable analytical forward model. A transformer encoder assigns spectral features to 24 learnable peak slots, and a multi-view consistency loss enforces invariance across NRB pattern, NRB strength, and noise. Unlike direct spectral regression approaches, the method retains accuracy under varying acquisition conditions. On a public benchmark, iPINN achieves the lowest error among the tested baselines (MAE 0.016 vs. next-best 0.046). On 28 zero-shot test spectra acquired across seven solvents and four focal positions, accuracy is depth-invariant in five of seven solvents. These results show that inverse parametric prediction with a differentiable physical decoder supports robust phase retrieval across measurement conditions.
Chemical property prediction plays a critical role in accelerating scientific discovery in chemistry, materials science, and drug development. However, existing benchmarks often suffer from limited task diversity, fragmented datasets, and inconsistent evaluation protocols, making it challenging to systematically assess the reliability and generalization of AI models. In this work, we introduce Chem World, a comprehensive benchmark for chemical property prediction that integrates 17 diverse chemical datasets with over 800,000 molecular samples, covering various properties including density, electrical conductivity, solubility, and other molecular characteristics. Chem World provides a unified platform for evaluating AI models across multiple property prediction tasks. Furthermore, we propose Mixture-PINN, a physics-informed neural network based prediction framework that incorporates chemical prior knowledge into data-driven learning, improving the accuracy, robustness, and reliability of chemical property prediction. Extensive experiments on Chem World demonstrate the effectiveness of our approach compared with existing methods. By combining large-scale standardized evaluation with physics-informed learning, Chem World establishes a foundation for developing trustworthy AI systems for computational chemistry and advancing AI-driven scientific discovery.
Regional surveillance data reflect local transmission, reporting, seeding, and external infection pressure, which are difficult to identify separately. We introduce GeoID-PINN, a physics-informed neural network (PINN) for susceptible-infectious-recovered-deceased (SIRD) dynamics. The model represents spatial dependence with a row-stochastic source-composition matrix whose rows assign nonnegative source weights that sum to one. We regularize this matrix toward a spatial prior constructed from distance, adjacency, commuting, or lead-lag information. In a four-region simulation with known truth, a compatible distance prior gives source-composition error 0.099. The error rises to 0.159 without regularization and 0.577 under a strongly misspecified prior, while trajectory fit and transmission-scale estimates remain similar. Accurate trajectories therefore do not guarantee recovery of the regional dependence structure. We also evaluate GeoID-PINN retrospectively using COVID-19 data from 64 Louisiana counties. Relative to an autoregressive negative-binomial baseline, Forecast-Trained Geo-PINN reduces mean squared error (MSE) from 32,957 to 11,468 and mean absolute error (MAE) from 70.60 to 57.73. The baseline has lower negative log likelihood (NLL), 5.158 versus 5.346, indicating better distributional fit but worse point accuracy. In a controlled 15-county comparison, county adjacency reduces MSE by 6.85 percent and MAE by 3.1 percent. Similar performance across plausible priors supports structured regularization but not unique edge recovery. These results require prior-sensitivity and observation-model checks before interpretation.
Parachutes are widely utilized in aviation, aerospace and lifesaving missions. As the initial stage of parachute deployment, suspension line extraction and straightening directly determines the smooth implementation of subsequent inflation procedures. This ultra-short process involves intricate dynamic load variations. Most existing studies adopt numerical integration of ordinary differential equations to calculate line tension, yet this method fails to rapidly acquire tension values at arbitrary positions along suspension lines. This paper develops a physics-informed neural network (PINN) algorithm for tension prediction during line extraction and straightening, which outperforms traditional integration methods in both computational efficiency and numerical accuracy. Furthermore, the regulatory law of binding tape parameters on line dynamic tension is investigated. Comparative validations against flight test data and conventional numerical results verify the reliability and effectiveness of the proposed PINN framework.
In this paper, a parametric physics-informed neural network for solving the heterogeneous soil thermal problem with borehole heat exchangers (BHEs) as singular sources is developed. There are three novel features in the present framework; namely, (i) the singularity is naturally removed by using analytical line source models; (ii) using the explicit formulation for gradient thermal conductivity enables physics-informed learning of the parametrization featuring the conductivity; (iii) the learned correction is utilized as an efficient universal corrector via superposition principles. We first introduce the decomposition of the temperature change and transform the approximation of the entire heterogeneous response to the correction compensating the difference between the practical solution and idealized homogeneous approximation. In such a way, the delta function singularity is excluded and the bulk heat transfer is captured for the sake of facilitating the effective training of the neural network. The original problem is then reformulated as a governing correction diffusion or advection-diffusion equation subject to a homogeneous initial condition. The linearly varying thermal conductivity is used to model the soil heterogeneity. We propose a physics-informed neural network to approximate a universal corrector with respect to a single borehole with unit heat extraction rate. As a result, the network is trained by minimizing the physics-informed and data-anchored loss function that is evaluated for sampled conductivity parameters on adaptively selected training points. In addition, we include the location indicator function regarding the source as a feature input of network and find that it helps the network to process the local information. We perform numerical tests to exhibit the effectiveness of the proposed method based on three different analytical models.
Radio frequency (RF) maps provide a compact representation of multipath propagation characteristics and are fundamental to channel modeling, coverage analysis, and environment-aware wireless optimization. This paper proposes a unified RF map construction framework based on a physics-informed neural network (PINN) and a graph neural network (GNN), supporting both cross-scene generation and in-scene completion with 2D and 2.5D environmental representations. The PINN embeds electromagnetic propagation constraints to establish a physically consistent mapping from receiver locations to multipath parameters, including path gain, time of arrival, and angles, while the GNN enforces spatial consistency by modeling correlations among neighboring receivers. To comprehensively evaluate multipath reconstruction quality, we propose a peak-weighted dynamic time warping metric that jointly accounts for amplitude errors and peak delay misalignment in channel impulse responses. Extensive experiments demonstrate that the proposed method consistently outperforms image-based, diffusion-based, and interpolation baselines across both map-level and multipath-level metrics, achieving robust generalization and high-fidelity RF map construction under sparse observations.
Accurate 3D seismic velocity modeling through seismic travel-time tomography using both active- and passive-source data provides critical underpinning models for seismicity monitoring and hazard assessment. Because travel-time tomography is an inherently ill-posed inverse problem, UQ of the estimated models using Bayesian methods is also important for reliable downstream interpretations and analyses. However, Bayesian inference for 3D tomography based on conventional grid-based representations faces the ``curse of dimensionality'' and severe computational bottlenecks. Consequently, rigorous Bayesian UQ for margin-wide 3D travel-time tomography has remained largely unexplored. In this study, we propose a meshless 3D Bayesian travel-time tomography method that combines PINNs with a neural representation of the velocity structure, enabling tractable and data-efficient Bayesian inference through function-space particle-based variational inference. To efficiently integrate passive-source data into the Bayesian estimation of the velocity structure, we conduct analytical marginalization treating uncertain source parameters as nuisance parameters, with passive-source relocation carried out in post-processing. We validated the capability of our approach for 3D problems through synthetic experiments. Furthermore, we applied the method to a real-world dataset from marine active-source surveys and natural earthquakes off the Kii Peninsula, Nankai Trough. Our probabilistic 3D ensemble successfully resolves key geological features and provides data-consistent uncertainty maps. The posterior mean hypocenters shifted mainly in the vertical direction by 10-15 km, consistent with a previous relocation result. Finally, the neural representation drastically reduces storage requirements for the entire ensemble velocity model, highlighting the scalability and data efficiency of the proposed framework.
The Fokker-Planck equation (FPE) plays a pivotal role in describing the time evolution of probability density functions (PDFs) for systems governed by stochastic dynamics. In this work, we propose a conditional normalizing flow-based physics-informed neural network (PINN) framework for efficiently approximating the solution operator of the FPE for a whole range of initial conditions. Leveraging the Chapman-Kolmogorov equation for Markovian stochastic processes, the problem is reformulated into approximating a transition PDF starting at initial time from a Dirac mass centered at an arbitrary point. The PDF of an associated linearized stochastic differential equation (SDE) is employed as the base distribution for the normalizing flow, providing a good approximation of the target PDF, especially for small times, and thereby avoiding the singularity of the map associated with the Dirac delta initial distribution. Furthermore, a time-weighted loss function is introduced to mitigate numerical instabilities arising at small times, achieving a balance between causality and training difficulty as time progresses. A variety of numerical experiments are presented to illustrate the effectiveness and robustness of the proposed method.
Nikolaos Salaris, Adrien Desjardins, Manish K. Tiwarieess.IV cs.AI cs.CV eess.SP
The escalating climate crisis and ecosystem degradation demand intelligent, low-cost sensors capable of robust, long-term monitoring in real-world environments. Absolute dissolved oxygen (DO) concentration is a key parameter for predicting climate tipping points. Inexpensive optoelectronic sensors based on microstructured polymer films doped with phosphorescent dyes could be readily deployable; however, signal drift and marine biofouling remain major challenges. Here, we introduce a sensing paradigm that combines camera-based DO sensors with a visual transformer (ViT)-based physics-informed neural network (PINN) for high-fidelity sensing under biofouling conditions. Training and testing data were obtained from an algae-laden water tank over 14 days to capture accelerated biofouling. The ViT-PINN, which embeds the Stern-Volmer (SV) equation into the loss function, reduces mean average error (MAE) by 92% and 89% compared to classical statistical and ML approaches, achieving ~2 umol/L absolute error. A deep ensemble further quantifies predictive uncertainty, enabling self-diagnostic sensing.