arXiv subjects

Rahul Kumar Padhy

Publications and source records attributed to Rahul Kumar Padhy.

10 recordsLinked to original sources

arXiv2026

VASTO: Simultaneous recovery of vascular geometry and blood flow via differentiable topology optimization

Computed Tomography Angiography (CTA) is widely used to reconstruct vascular geometry from projection measurements, with conventional approaches such as Filtered Back-Projection (FBP) and Iterative Reconstruction (IR) forming the clinical standard. Blood flow is subsequently estimated through Computational Fluid Dynamics (CFD) simulations, which require vascular geometry and boundary conditions to be specified a priori. Since the geometry is fixed prior to flow estimation, the recovery of unknown anatomical features (e.g., missing branches or stenoses) is precluded. In this work, we present a fluid-physics-constrained reconstruction framework that leverages topology optimization (TO) to jointly recover vascular geometry and blood velocity directly from time-resolved CTA sinograms. The formulation couples a steady incompressible flow model with a transient advection-diffusion contrast transport model, mapped to sinogram space through a differentiable projection operator. The recovered velocity fields provide hemodynamic information and can support downstream estimation of wall shear stress and flow distribution, without requiring a separate CFD pipeline. The proposed method is demonstrated on synthetic phantoms under varying sparsity and noise levels, and on representative projection data.

cs.CE↗

arXiv2026

MOTO: Topology Optimization for Large Deformations via an Implicit Material Point Method

The Finite element method (FEM) has long served as the computational backbone for topology optimization (TO). However, for designing structures undergoing large deformations, conventional FEM-based TO often exhibits numerical instabilities due to severe mesh distortions, tangling, and large rotations, consequently leading to convergence failures. To address this challenge, we present a TO framework based on the Material Point Method (MPM). MPM is a hybrid Lagrangian-Eulerian particle method, well-suited for simulating large deformations. In particular, we present an end-to-end differentiable implicit MPM framework for designing structures undergoing quasi-static hyperelastic large deformations. The effectiveness of the approach is demonstrated through validation studies encompassing both single and multi-material designs, including the design of compliant soft robotic grippers. The software accompanying this paper can be accessed at github.com/UW-ERSL/MOTO.

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arXiv2025

PILL-CoDe: Inverse Design of Polypills via Automatic Differentiation for Prescribed Drug-Release Kinetics

Polypills are single oral dosage forms that combine multiple active pharmaceutical ingredients and excipients, enabling fixed-dose combination therapies, coordinated multi-phase release, and precise customization of patient-specific treatment protocols. Recent advances in additive manufacturing facilitate the physical realization of multi-material excipients, offering superior customization of target release profiles. However, polypill formulations remain tuned by ad hoc parameter sweeps. The current design workflows are ill-suited for the systematic exploration of the high-dimensional space of shapes, compositions, and release behaviors. We present PILL-CoDe, a polypill co-design framework that simultaneously optimizes tablet geometry and excipient distribution to match prescribed drug-release kinetics. The framework couples a supershape parametrization of the pill geometry with a coordinate-based neural network representation of the excipient distribution, and governs dissolution through a coupled system of modified Allen-Cahn and Fickian diffusion equations. Implemented in JAX, the entire pipeline is end-to-end differentiable, with automatic differentiation providing exact sensitivities for gradient-based co-optimization of shape and composition under manufacturability constraints. We demonstrate the method through single-phase and multi-excipient case studies, showing accurate matching of both monotonic and non-monotonic target release profiles.

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arXiv2025

TOMATOES: Topology and Material Optimization for Latent Heat Thermal Energy Storage Devices

Latent heat thermal energy storage (LHTES) systems are compelling candidates for energy storage, primarily owing to their high storage density. Improving their performance is crucial for developing the next-generation efficient and cost effective devices. Topology optimization (TO) has emerged as a powerful computational tool to design LHTES systems by optimally distributing a high-conductivity material (HCM) and a phase change material (PCM). However, conventional TO typically limits to optimizing the geometry for a fixed, pre-selected materials. This approach does not leverage the large and expanding databases of novel materials. Consequently, the co-design of material and geometry for LHTES remains a challenge and unexplored. To address this limitation, we present an automated design framework for the concurrent optimization of material choice and topology. A key challenge is the discrete nature of material selection, which is incompatible with the gradient-based methods used for TO. We overcome this by using a data-driven variational autoencoder (VAE) to project discrete material databases for both the HCM and PCM onto continuous and differentiable latent spaces. These continuous material representations are integrated into an end-to-end differentiable, transient nonlinear finite-element solver that accounts for phase change. We demonstrate this framework on a problem aimed at maximizing the discharged energy within a specified time, subject to cost constraints. The effectiveness of the proposed method is validated through several illustrative examples.

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arXiv2025

TOFLUX: A Differentiable Topology Optimization Framework for Multiphysics Fluidic Problems

Topology Optimization (TO) holds the promise of designing next-generation compact and efficient fluidic devices. However, the inherent complexity of fluid-based TO systems, characterized by multiphysics nonlinear interactions, poses substantial barriers to entry for researchers. Beyond the inherent intricacies of forward simulation models, design optimization is further complicated by the difficulty of computing sensitivities, i.e., gradients. Manual derivation and implementation of sensitivities are often laborious and prone to errors, particularly for non-trivial objectives, constraints, and material models. An alternative solution is automatic differentiation (AD). Although AD has been previously demonstrated for simpler TO problems, extending its use to complex nonlinear multiphysics systems, specifically in fluidic optimization, is key to reducing the entry barrier. To this end, we introduce TOFLUX, a TO framework for fluid devices leveraging the JAX library for high-performance automatic differentiation. The flexibility afforded by AD enables the rapid exploration and evaluation of various objectives and constraints. We illustrate this capability through challenging examples encompassing thermo-fluidic coupling, fluid-structure interaction, and non-Newtonian flows. Additionally, we demonstrate the seamless integration of our framework with neural networks and machine learning methodologies, enabling modern approaches to scientific computing. Ultimately, the framework aims to provide a foundational resource to accelerate research and innovation in fluid-based TO. The software accompanying this educational paper can be accessed at github.com/UW-ERSL/TOFLUX.

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arXiv2024

TreeTOp: Topology Optimization using Constructive Solid Geometry Trees

Feature-mapping methods for topology optimization (FMTO) facilitate direct geometry extraction by leveraging high-level geometric descriptions of the designs. However, FMTO often relies solely on Boolean unions, which can restrict the design space. This work proposes an FMTO framework leveraging an expanded set of Boolean operations, namely, union, intersection, and subtraction. The optimization process entails determining the primitives and the optimal Boolean operation tree. In particular, the framework leverages a recently proposed unified Boolean operation approach. This approach presents a continuous and differentiable function that interpolates the Boolean operations, enabling gradient-based optimization. The proposed methodology is agnostic to the specific primitive parametrization and is showcased through various numerical examples.

cs.CE↗

arXiv2024

PhoTOS: Topology Optimization of Photonic Components using a Shape Library

Topology Optimization (TO) holds the promise of designing next-generation compact and efficient photonic components. However, ensuring the optimized designs comply with fabrication constraints imposed by semiconductor foundries remains a challenge. This work presents a TO framework that guarantees designs satisfy fabrication criteria, particularly minimum feature size and separation. Leveraging recent advancements in machine learning and feature mapping methods, our approach constructs components by transforming shapes from a predefined library, simplifying constraint enforcement. Specifically, we introduce a Convo-implicit Variational Autoencoder to encode the discrete shape library into a differentiable space, enabling gradient-based optimization. The efficacy of our framework is demonstrated through the design of several common photonic components.

math.NA↗

arXiv2024

VoroTO: Multiscale Topology Optimization of Voronoi Structures using Surrogate Neural Networks

Cellular structures found in nature exhibit remarkable properties such as high strength, high energy absorption, excellent thermal/acoustic insulation, and fluid transfusion. Many of these structures are Voronoi-like; therefore researchers have proposed Voronoi multi-scale designs for a wide variety of engineering applications. However, designing such structures can be computationally prohibitive due to the multi-scale nature of the underlying analysis and optimization. In this work, we propose the use of a neural network (NN) to carry out efficient topology optimization (TO) of multi-scale Voronoi structures. The NN is first trained using Voronoi parameters (cell site locations, thickness, orientation, and anisotropy) to predict the homogenized constitutive properties. This network is then integrated into a conventional TO framework to minimize structural compliance subject to a volume constraint. Special considerations are given for ensuring positive definiteness of the constitutive matrix and promoting macroscale connectivity. Several numerical examples are provided to showcase the proposed method.

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arXiv2023

TOMAS: Topology Optimization of Multiscale Fluid Devices using Variational Autoencoders and Super-Shapes

In this paper, we present a framework for multiscale topology optimization of fluid-flow devices. The objective is to minimize dissipated power, subject to a desired contact-area. The proposed strategy is to design optimal microstructures in individual finite element cells, while simultaneously optimizing the overall fluid flow. In particular, parameterized super-shape microstructures are chosen here to represent microstructures since they exhibit a wide range of permeability and contact area. To avoid repeated homogenization, a finite set of these super-shapes are analyzed a priori, and a variational autoencoder (VAE) is trained on their fluid constitutive properties (permeability), contact area and shape parameters. The resulting differentiable latent space is integrated with a coordinate neural network to carry out a global multi-scale fluid flow optimization. The latent space enables the use of new microstructures that were not present in the original data-set. The proposed method is illustrated using numerous examples in 2D.

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arXiv2022

FluTO: Graded Multiscale Fluid Topology Optimization using Neural Networks

Fluid-flow devices with low dissipation, but high contact area, are of importance in many applications. A well-known strategy to design such devices is multi-scale topology optimization (MTO), where optimal microstructures are designed within each cell of a discretized domain. Unfortunately, MTO is computationally very expensive since one must perform homogenization of the evolving microstructures, during each step of the homogenization process. As an alternate, we propose here a graded multiscale topology optimization (GMTO) for designing fluid-flow devices. In the proposed method, several pre-selected but size-parameterized and orientable microstructures are used to fill the domain optimally. GMTO significantly reduces the computation while retaining many of the benefits of MTO. In particular, GMTO is implemented here using a neural-network (NN) since: (1) homogenization can be performed off-line, and used by the NN during optimization, (2) it enables continuous switching between microstructures during optimization, (3) the number of design variables and computational effort is independent of number of microstructure used, and, (4) it supports automatic differentiation, thereby eliminating manual sensitivity analysis. Several numerical results are presented to illustrate the proposed framework.

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