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Dibyajyoti Chakraborty

Publications and source records attributed to Dibyajyoti Chakraborty.

15 recordsLinked to original sources

Generative Atmospheric Super-Resolution from Heterogeneous In Situ Observations through Composable Interfaces

Atmospheric observations are sparse, heterogeneous, and unevenly distributed, whereas many generative atmospheric models learn distributions over regularly gridded multivariate states. Once pretrained, diffusion models can supply atmospheric priors that can be combined with observation-derived likelihood factors in a Bayesian formulation. However, these observation sources differ substantially in geometry and sampling density, complicating the consistent use of their observations within a common inference framework. Here, we formulate this reconstruction problem as generative atmospheric super-resolution and introduce composable observation interfaces for conditioning a single pretrained 13-variable atmospheric diffusion model. The interfaces convert sparse radiosonde (R), clustered aircraft (A), and dense irregular surface-station (S) observations into source-specific likelihood factors that specify where observations constrain the gridded state, how residuals are counted under uneven sampling, and how strongly each source guides posterior sampling. We developed the aircraft and surface observation interfaces using 2019 observations and evaluated the selected interfaces throughout 2020 without further tuning. Compared with reconstructions conditioned only on radiosonde observations, the composed R+A+S interface reduces RMSE evaluated against ERA5 by $9.24\%$ across all 13 state variables over the CONUS domain. The aircraft and surface factors provide complementary improvements in upper-air and surface variables. The R+A+S combination also lowers the Continuous Ranked Probability Score (CRPS), while evaluations at held-out aircraft and surface-station observations show reduced prediction errors. Together, these results demonstrate a modular route for conditioning a pretrained atmospheric generative prior on heterogeneous in situ observations without retraining the underlying model.

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A Weak Penalty Neural ODE for Learning Chaotic Dynamics from Noisy Time Series

The accurate forecasting of complex, high-dimensional dynamical systems from observational data is a fundamental task across numerous scientific and engineering disciplines. A significant challenge arises from noisy observations of deterministic dynamics, which severely degrade the performance of data-driven models. In chaotic dynamical systems, where small initial errors amplify exponentially, it is particularly difficult to develop a model from noisy data that achieves short-term accuracy while preserving long-term invariant properties. To overcome this, we consider the weak formulation as a complementary approach to the classical L2-loss function for training models of dynamical systems. We empirically verify that the weak formulation, with a proper choice of test function and integration domain, effectively filters noisy data. This insight explains why a weak form loss function is analogous to fitting a model to filtered data and provides a practical way to parameterize the weak form. Subsequently, we demonstrate how this approach overcomes the instability and inaccuracy of standard Neural ODE (NODE) in modeling chaotic systems. Through numerical examples, we show that our proposed training strategy, the Weak Penalty NODE, is computationally efficient, solver-agnostic, and yields accurate and robust forecasts across benchmark chaotic systems and a real-world climate dataset.

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Multimodal Spatiotemporal Atmospheric Data Assimilation with Latent Video Flow-matching

Data assimilation (DA) uses Bayesian inference to update the state of a numerical forecast model with observed data. In this study, we propose a fundamentally different, unified approach to atmospheric data assimilation. We use latent video flow-matching to sample temporally consistent trajectories from a prior trained using ERA5 reanalysis (69 variables over an 8-day window). We also use posterior sampling to assimilate real observation sources, such as those from the NOAA Integrated Global Radiosonde Archive and the Integrated Surface Database. Because the prior generates a continuous trajectory, it naturally propagates information between observed and unobserved frames. Therefore, we can perform various DA tasks, such as filtering and smoothing, simply by changing the observed frames. Moreover, we generate full-state ensemble forecasts directly from sparse observations, achieving performance competitive with state-of-the-art observation-to-forecast models.

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High-Resolution Climate Projections Using Diffusion-Based Downscaling of a Lightweight Climate Emulator

The proliferation of data-driven models in weather and climate sciences has marked a significant paradigm shift, with advanced models demonstrating exceptional skill in medium-range forecasting. However, these models are often limited by long-term instabilities, climatological drift, and substantial computational costs during training and inference, restricting their broader application for climate studies. Addressing these limitations, Guan et al. (2024) introduced LUCIE, a lightweight, physically consistent climate emulator utilizing a Spherical Fourier Neural Operator (SFNO) architecture. This model is able to reproduce accurate long-term statistics including climatological mean and seasonal variability. However, LUCIE's native resolution (~300 km) is inadequate for detailed regional impact assessments. To overcome this limitation, we introduce a deep learning-based downscaling framework, leveraging probabilistic diffusion-based generative models with conditional and posterior sampling frameworks. These models downscale coarse LUCIE outputs to 25 km resolution. They are trained on approximately 14,000 ERA5 timesteps spanning 2000-2009 and evaluated on LUCIE predictions from 2010 to 2020. Model performance is assessed through diverse metrics, including latitude-averaged RMSE, power spectrum, probability density functions and First Empirical Orthogonal Function of the zonal wind. We observe that the proposed approach is able to preserve the coarse-grained dynamics from LUCIE while generating fine-scaled climatological statistics at ~28km resolution.

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Multiscale Hypersonic Boundary Layer Reconstruction via Spectral Binning and Subdomain-wise Conditional Diffusion

We propose a multiscale probabilistic reconstruction framework for hypersonic Couette flow, where near-wall states are inferred from limited top-wall observations using conditional diffusion model. The boundary layer is divided into overlapping wall-normal subdomains, and a single height- and Mach-conditioned Elucidating Diffusion Model (EDM) is trained jointly for M=6,7,8 to sample velocity, density, pressure, and temperature fields conditioned on a top-wall boundary slice. A soft overlap inpainting strategy assembles subdomain predictions into full-volume reconstructions while maintaining inter-subdomain continuity and small-scale variability. To improve the spectral fidelity of the generated fields, we introduce a novel bounded binned spectral power (BSP) loss that preserves high-wavenumber content while remaining numerically stable across the diffusion noise schedule. Validation against direct numerical simulation data shows that the model recovers instantaneous structures, spectra, statistical profiles, correlations, and wall quantities across all training Mach numbers, while providing spatially structured uncertainty estimates. The reconstructed Mach-conditioned profiles also collapse under the Trettel-Larsson transformation, indicating consistency with compressibility scaling. These results establish the domain decomposed conditional diffusion model with a bounded binned spectral loss as an effective probabilistic surrogate for near-wall reconstruction in hypersonic wall-bounded turbulence.

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Deep Learning of Solver-Aware Turbulence Closures from Nudged LES Dynamics

The differentiable physics paradigm may be leveraged as an a-posteriori approach for discovering turbulence closure models by embedding a neural network parameterization directly inside the solver and optimizing it given potentially sparse target data. This addresses a key limitation of a-priori learning where direct numerical simulation (DNS) data is used to approximate the subgrid stress with the assumption of a low-pass filter. Closures trained in this a-priori manner frequently lead to unstable deployments due to the mismatch between the assumed filter and the effect of numerical discretizations and coarse-graining. In comparison, while typically stable during deployment, a-posteriori learning incurs high computational costs due to the need to backpropagate through a large eddy simulation (LES) solver. Furthermore, a-posteriori methods are challenging to apply broadly since they require significant modification of existing solvers. Finally, both approaches are limited when generalization is desired across different numerical schemes with their implicit filtering characteristics. In this work, we present a deep-learning approach for turbulence closure modeling built on the continuous data assimilation framework. Our approach enables the a-priori training of closures using sparsely observed DNS data without modifying or differentiating through the LES solver, while preserving stability during deployment for the recovery of invariant statistics. We focus on the model's ability to adapt to different discretizations by explicitly conditioning it on the numerical scheme. We use two- and three-dimensional canonical cases to test our framework and show that the learned correction systematically tracks the discretization error of the coarse solver.

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SC3D: Dynamic and Differentiable Causal Discovery for Temporal and Instantaneous Graphs

Discovering causal structures from multivariate time series is a key problem because interactions span across multiple lags and possibly involve instantaneous dependencies. Additionally, the search space of the dynamic graphs is combinatorial in nature. In this study, we propose Stable Causal Dynamic Differentiable Discovery (SC3D), a two-stage differentiable framework that jointly learns lag-specific adjacency matrices and, if present, an instantaneous directed acyclic graph (DAG). In Stage 1, SC3D performs edge preselection through node-wise prediction to obtain masks for lagged and instantaneous edges, whereas Stage 2 refines these masks by optimizing a likelihood with sparsity along with enforcing acyclicity on the instantaneous block. Numerical results across synthetic SVAR systems, nonlinear and chaotic benchmarks, nonstationary dynamics and real-world datasets demonstrate that SC3D achieves improved stability and more accurate recovery of both lagged and instantaneous causal structures compared to existing baselines.

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Binned Spectral Power Loss for Improved Prediction of Chaotic Systems

Forecasting multiscale chaotic dynamical systems, such as turbulent flows, with deep learning remains a formidable challenge due to the spectral bias of neural networks, which hinders the accurate representation of fine-scale structures in long-term predictions. This issue is exacerbated when models are deployed autoregressively, leading to compounding errors and instability. In this work, we introduce a novel approach to mitigate the spectral bias, which we call the Binned Spectral Power (BSP) Loss. The BSP loss is a frequency-domain loss function that adaptively weighs errors in predicting both larger and smaller scales of the dataset. Unlike traditional losses that focus on pointwise misfits, our BSP loss explicitly penalizes deviations in the energy distribution across different scales, promoting stable and physically consistent predictions. We demonstrate that the BSP loss mitigates the well-known problem of spectral bias in deep learning. We further validate our approach for the data-driven high-dimensional time-series forecasting of a range of benchmark chaotic systems, which are typically intractable due to spectral bias, culminating in experiments on canonical turbulent flow benchmarks. Our results demonstrate that the BSP loss significantly improves the stability and spectral accuracy of neural forecasting models without requiring architectural modifications. By directly targeting spectral consistency, our approach paves the way for more robust deep learning models for long-term forecasting of chaotic dynamical systems.

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Adaptive Diffusion Posterior Sampling for Data and Model Fusion of Complex Nonlinear Dynamical Systems

High-fidelity numerical simulations of chaotic, high dimensional nonlinear dynamical systems are computationally expensive, necessitating the development of efficient surrogate models. Most surrogate models for such systems are deterministic, for example when neural operators are involved. However, deterministic models often fail to capture the intrinsic distributional uncertainty of chaotic systems. This work presents a surrogate modeling formulation that leverages generative machine learning, where a deep learning diffusion model is used to probabilistically forecast turbulent flows over long horizons. We introduce a multi-step autoregressive diffusion objective that significantly enhances long-rollout stability compared to standard single-step training. To handle complex, unstructured geometries, we utilize a multi-scale graph transformer architecture incorporating diffusion preconditioning and voxel-grid pooling. More importantly, our modeling framework provides a unified platform that also predicts spatiotemporally important locations for sensor placement, either via uncertainty estimates or through an error-estimation module. Finally, the observations of the ground truth state at these dynamically varying sensor locations are assimilated using diffusion posterior sampling requiring no retraining of the surrogate model. We present our methodology on two-dimensional homogeneous and isotropic turbulence and for a flow over a backwards-facing step, demonstrating its utility in forecasting, adaptive sensor placement, and data assimilation for high dimensional chaotic systems.

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Multimodal Atmospheric Super-Resolution With Deep Generative Models

Score-based diffusion modeling is a generative machine learning algorithm that can be used to sample from complex distributions. They achieve this by learning a score function, i.e., the gradient of the log-probability density of the data, and reversing a noising process using the same. Once trained, score-based diffusion models not only generate new samples but also enable zero-shot conditioning of the generated samples on observed data. This promises a novel paradigm for data and model fusion, wherein the implicitly learned distributions of pretrained score-based diffusion models can be updated given the availability of online data in a Bayesian formulation. In this article, we apply such a concept to the super-resolution of a high-dimensional dynamical system, given the real-time availability of low-resolution and experimentally observed sparse sensor measurements from multimodal data. Additional analysis on how score-based sampling can be used for uncertainty estimates is also provided. Our experiments are performed for a super-resolution task that generates the ERA5 atmospheric dataset given sparse observations from a coarse-grained representation of the same and/or from unstructured experimental observations of the IGRA radiosonde dataset. We demonstrate accurate recovery of the high dimensional state given multiple sources of low-fidelity measurements. We also discover that the generative model can balance the influence of multiple dataset modalities during spatiotemporal reconstructions.

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MoWE : A Mixture of Weather Experts

Data-driven weather models have recently achieved state-of-the-art performance, yet progress has plateaued in recent years. This paper introduces a Mixture of Experts (MoWE) approach as a novel paradigm to overcome these limitations, not by creating a new forecaster, but by optimally combining the outputs of existing models. The MoWE model is trained with significantly lower computational resources than the individual experts. Our model employs a Vision Transformer-based gating network that dynamically learns to weight the contributions of multiple "expert" models at each grid point, conditioned on forecast lead time. This approach creates a synthesized deterministic forecast that is more accurate than any individual component in terms of Root Mean Squared Error (RMSE). Our results demonstrate the effectiveness of this method, achieving up to a 10% lower RMSE than the best-performing AI weather model on a 2-day forecast horizon, significantly outperforming individual experts as well as a simple average across experts. This work presents a computationally efficient and scalable strategy to push the state of the art in data-driven weather prediction by making the most out of leading high-quality forecast models.

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Divide And Conquer: Learning Chaotic Dynamical Systems With Multistep Penalty Neural Ordinary Differential Equations

Forecasting high-dimensional dynamical systems is a fundamental challenge in various fields, such as geosciences and engineering. Neural Ordinary Differential Equations (NODEs), which combine the power of neural networks and numerical solvers, have emerged as a promising algorithm for forecasting complex nonlinear dynamical systems. However, classical techniques used for NODE training are ineffective for learning chaotic dynamical systems. In this work, we propose a novel NODE-training approach that allows for robust learning of chaotic dynamical systems. Our method addresses the challenges of non-convexity and exploding gradients associated with underlying chaotic dynamics. Training data trajectories from such systems are split into multiple, non-overlapping time windows. In addition to the deviation from the training data, the optimization loss term further penalizes the discontinuities of the predicted trajectory between the time windows. The window size is selected based on the fastest Lyapunov time scale of the system. Multi-step penalty(MP) method is first demonstrated on Lorenz equation, to illustrate how it improves the loss landscape and thereby accelerates the optimization convergence. MP method can optimize chaotic systems in a manner similar to least-squares shadowing with significantly lower computational costs. Our proposed algorithm, denoted the Multistep Penalty NODE, is applied to chaotic systems such as the Kuramoto-Sivashinsky equation, the two-dimensional Kolmogorov flow, and ERA5 reanalysis data for the atmosphere. It is observed that MP-NODE provide viable performance for such chaotic systems, not only for short-term trajectory predictions but also for invariant statistics that are hallmarks of the chaotic nature of these dynamics.

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Improved deep learning of chaotic dynamical systems with multistep penalty losses

Predicting the long-term behavior of chaotic systems remains a formidable challenge due to their extreme sensitivity to initial conditions and the inherent limitations of traditional data-driven modeling approaches. This paper introduces a novel framework that addresses these challenges by leveraging the recently proposed multi-step penalty (MP) optimization technique. Our approach extends the applicability of MP optimization to a wide range of deep learning architectures, including Fourier Neural Operators and UNETs. By introducing penalized local discontinuities in the forecast trajectory, we effectively handle the non-convexity of loss landscapes commonly encountered in training neural networks for chaotic systems. We demonstrate the effectiveness of our method through its application to two challenging use-cases: the prediction of flow velocity evolution in two-dimensional turbulence and ocean dynamics using reanalysis data. Our results highlight the potential of this approach for accurate and stable long-term prediction of chaotic dynamics, paving the way for new advancements in data-driven modeling of complex natural phenomena.

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A note on the error analysis of data-driven closure models for large eddy simulations of turbulence

In this work, we provide a mathematical formulation for error propagation in flow trajectory prediction using data-driven turbulence closure modeling. Under the assumption that the predicted state of a large eddy simulation prediction must be close to that of a subsampled direct numerical simulation, we retrieve an upper bound for the prediction error when utilizing a data-driven closure model. We also demonstrate that this error is significantly affected by the time step size and the Jacobian which play a role in amplifying the initial one-step error made by using the closure. Our analysis also shows that the error propagates exponentially with rollout time and the upper bound of the system Jacobian which is itself influenced by the Jacobian of the closure formulation. These findings could enable the development of new regularization techniques for ML models based on the identified error-bound terms, improving their robustness and reducing error propagation.

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Differentiable Turbulence: Closure as a partial differential equation constrained optimization

Deep learning is increasingly becoming a promising pathway to improving the accuracy of sub-grid scale (SGS) turbulence closure models for large eddy simulations (LES). We leverage the concept of differentiable turbulence, whereby an end-to-end differentiable solver is used in combination with physics-inspired choices of deep learning architectures to learn highly effective and versatile SGS models for two-dimensional turbulent flow. We perform an in-depth analysis of the inductive biases in the chosen architectures, finding that the inclusion of small-scale non-local features is most critical to effective SGS modeling, while large-scale features can improve pointwise accuracy of the \textit{a-posteriori} solution field. The velocity gradient tensor on the LES grid can be mapped directly to the SGS stress via decomposition of the inputs and outputs into isotropic, deviatoric, and anti-symmetric components. We see that the model can generalize to a variety of flow configurations, including higher and lower Reynolds numbers and different forcing conditions. We show that the differentiable physics paradigm is more successful than offline, \textit{a-priori} learning, and that hybrid solver-in-the-loop approaches to deep learning offer an ideal balance between computational efficiency, accuracy, and generalization. Our experiments provide physics-based recommendations for deep-learning based SGS modeling for generalizable closure modeling of turbulence.

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