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Rajat Sarkar

Publications and source records attributed to Rajat Sarkar.

3 recordsLinked to original sources

See, Hypothesize, Validate: Multimodal Agentic Framework for Discovering Governing PDEs

Discovering governing partial differential equations (PDEs) from observational data remains a core challenge across the sciences. Existing sparse-regression, symbolic-regression, and LLM-based approaches can be constrained by predefined libraries, noise sensitivity, hallucination, or limited iterative refinement. We introduce \textbf{MAGE} (\textbf{M}ultimodal \textbf{A}gentic \textbf{G}overning \textbf{E}quation Discovery), an agentic framework that organizes PDE discovery as a \textit{confidence governed hypothesis validation loop} inspired by the scientific cycle of observation, hypothesis, and falsification. Four role-specialized agents collaborate: a \textit{Differential Observer} computing derivatives and diagnostic visualizations; a VLM-powered \textit{Phenomenology Extractor} distilling qualitative cues from multimodal diagnostics; an LLM-driven \textit{Governing Law Synthesizer} proposing candidates without a predefined library; and an \textit{Equation Arbiter} fitting coefficients and assigning confidence scores. Discovery iterates until the top candidate clears a user-specified threshold, providing a structured process with an explicit accept-reject protocol. On the evaluated canonical PDE suite, MAGE obtains \textbf{8/8} exact structural recovery and the lowest coefficient error among the compared methods on \textbf{7/8} systems, with improvements of up to \textbf{4 orders of magnitude} and a geometric-mean improvement of approximately \textbf{3 orders of magnitude}. The pipeline also recovers the expected operators in two complex geometries and, on one laboratory sensor record, selects a cubic restoring-force model with held-out $R^2=0.98538$. These results support further study of structured agentic reasoning for library-free governing-law discovery, while broader generalization remains to be evaluated.

cs.AI

Beyond Pairwise Graphs in Science: Hypergraph Adaptive Wavelet Operators for Parametric PDEs

Physical systems are often modeled by solution operators that map input fields, parameters, geometries, or past states to steady or future physical states. Learning these maps is difficult, especially for time-dependent systems that must assimilate history and remain stable under autoregressive rollout. Many neural operators work best on regular, structured grids, while realistic simulations often require unstructured meshes or point clouds to resolve complex geometries; in such settings, grid-centric representations can lose accuracy. Graph neural operators handle these domains through message passing or spectral graph filtering, but pairwise edges do not directly capture group-wise couplings among mesh cells, local neighborhoods, or conservation volumes. We introduce the Hypergraph Adaptive waveLet Operator (HALO), which lifts the domain to a hypergraph and learns in its spectral wavelet domain. HALO avoids explicit hypergraph-Laplacian eigendecomposition through Chebyshev polynomial wavelet filters, giving localized spectral kernels at linear sparse-matrix cost. Its trainable dyadic wavelet scales are regularized toward tight-frame coverage, allowing the frequency response to adapt to each PDE while encouraging stable multi-scale spectral coverage. Across 2D and 3D benchmarks on structured and unstructured discretizations, HALO achieves best or near-best accuracy among frequency-, transformer-, DeepONet-, state-space-, and graph-based baselines and sustains stable multi-step rollouts. The same model scales to industrial aerodynamic geometries: on meshes of a few hundred thousand points it is on par with, or better than, the strongest fixed-discretization transformers, while remaining resolution-equivariant.

cs.LG

PointSAGE: Mesh-independent superresolution approach to fluid flow predictions

Computational Fluid Dynamics (CFD) serves as a powerful tool for simulating fluid flow across diverse industries. High-resolution CFD simulations offer valuable insights into fluid behavior and flow patterns, aiding in optimizing design features or enhancing system performance. However, as resolution increases, computational data requirements and time increase proportionately. This presents a persistent challenge in CFD. Recently, efforts have been directed towards accurately predicting fine-mesh simulations using coarse-mesh simulations, with geometry and boundary conditions as input. Drawing inspiration from models designed for super-resolution, deep learning techniques like UNets have been applied to address this challenge. However, these existing methods are limited to structured data and fail if the mesh is unstructured due to its inability to convolute. Additionally, incorporating geometry/mesh information in the training process introduces drawbacks such as increased data requirements, challenges in generalizing to unseen geometries for the same physical phenomena, and issues with robustness to mesh distortions. To address these concerns, we propose a novel framework, PointSAGE a mesh-independent network that leverages the unordered, mesh-less nature of Pointcloud to learn the complex fluid flow and directly predict fine simulations, completely neglecting mesh information. Utilizing an adaptable framework, the model accurately predicts the fine data across diverse point cloud sizes, regardless of the training dataset's dimension. We have evaluated the effectiveness of PointSAGE on diverse datasets in different scenarios, demonstrating notable results and a significant acceleration in computational time in generating fine simulations compared to standard CFD techniques.

physics.flu-dyn