arXiv subjects

Krishnan Suresh

Publications and source records attributed to Krishnan Suresh.

At least 19 recordsLinked to original sources

arXiv2026

STORX: An Open-Source Object-Oriented Framework for Shape and Topology Optimization in MATLAB

This paper presents STORX: Shape and Topology Optimization for Research and Experimentation, an open-source MATLAB-based educational framework for learning and teaching computational design optimization. Unlike existing educational codes, which are typically built around a single formulation, STORX is, to the best of our knowledge, the first open-source MATLAB framework to unify parametric shape, level-set shape, and multiple families of topology optimization. All modules in STORX follow a consistent object-oriented structure and integrate visualization, sensitivity analysis, and finite element routines, enabling users to explore the continuum between shape and topology optimization in a transparent and reproducible manner. The code is designed to complement graduate-level coursework and independent research by emphasizing modularity and extensibility through a clear separation of intent. Core software interfaces are defined via abstract base classes, enabling new objective functionals and design/manufacturing constraints to be implemented by adding derived classes without modifying the core code. The paper also describes the software architecture and demonstrates how the framework maps mathematical formulations directly to executable code through a series of illustrative problems.

cs.CE↗

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

PyEncode: An Open-Source Library for Structured Quantum State Preparation

Quantum algorithms require encoding classical vectors as quantum states, a step known as amplitude encoding. General-purpose routines produce circuits with $\bigO{2^m}$ gates for vectors of length $N = 2^m$. However, vectors arising in scientific and engineering applications often exhibit mathematical structure that admits far more efficient encoding. Theoretical work over the last decade has established efficient circuits for several structured vector classes, but without open-source implementations. We present \textbf{PyEncode}, an open-source Python library that implements this body of theory in a unified framework. It covers ten exact pattern families: \emph{sparse, step, square, Walsh, Fourier, geometric, Hamming, staircase, Dicke}, and \emph{polynomial}. A function \texttt{encode} maps each pattern to a verified Qiskit circuit, with no vector materialization and no approximation; for example, \texttt{encode(SPARSE([(19, 1.0)]), N=64)} encodes the vector $\mathbf{e}_{19}$ of length $N = 64$. Sparse, step, Walsh, Hamming, and staircase patterns require $\bigO{m}$ gates; square and Fourier patterns require $\bigO{m^2}$; Dicke states $|D^m_k\rangle$ require $\bigO{k(m-k)}$; degree-$d$ polynomials require $\bigO{m^{d+1}}$. A companion \texttt{predict\_gates} function estimates transpiled gate counts without synthesis. Three composition primitives are supported: \texttt{SUM} for weighted superpositions, \texttt{PARTITION} for ancilla-free composition of disjoint-support patterns, and \texttt{TENSOR} for separable states over disjoint subregisters. For amplitude vectors outside these exact families, PyEncode also provides a matrix product state (MPS) loader, \texttt{encode\_mps}. The library is available at https://github.com/UW-ERSL/PyEncode.

cs.ET↗

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.

cs.CE↗

arXiv2026

Spectrally Corrected Polynomial Approximation for Quantum Singular Value Transformation

Quantum Singular Value Transformation (QSVT) provides a unified framework for applying polynomial functions to the singular values of a block-encoded matrix. QSVT prepares a state proportional to $\bA^{-1}\bb$ with circuit depth $O(d\cdot\mathrm{polylog}(N))$, where $d$ is the polynomial degree of the $1/x$ approximation and $N$ is the size of $\bA$. Current polynomial approximation methods are over the continuous interval $[a,1]$, giving $d = O(\sqrt{\kap}\log(1/\varepsilon))$, and make no use of any properties of $\bA$. We observe here that QSVT solution accuracy depends only on the polynomial accuracy at the eigenvalues of $\bA$. When all $N$ eigenvalues are known exactly, a pure spectral polynomial $p_{S}$ can interpolate $1/x$ at these eigenvalues and achieve unit fidelity at reduced degree. But its practical applicability is limited. To address this, we propose a spectral correction that exploits prior knowledge of $K$ eigenvalues of $\bA$. Given any base polynomial $p_0$, such as Remez, of degree $d_0$, a $K\times K$ linear system enforces exact interpolation of $1/x$ only at these $K$ eigenvalues without increasing $d_0$. The spectrally corrected polynomial $p_{SC}$ preserves the continuous error profile between eigenvalues and inherits the parity of $p_0$. QSVT experiments on the 1D Poisson equation demonstrate up to a $5\times$ reduction in circuit depth relative to the base polynomial, at unit fidelity and improved compliance error. The correction is agnostic to the choice of base polynomial and robust to eigenvalue perturbations up to $10\%$ relative error. Extension to the 2D Poisson equation suggests that correcting a small fraction of the spectrum may suffice to achieve fidelity above $0.999$.

quant-ph↗

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.

cs.CE↗

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.

cs.CE↗

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

Optimal Box Contraction for Solving Linear Systems via Simulated and Quantum Annealing

Solving linear systems of equations is an important problem in science and engineering. Many quantum algorithms, such as the Harrow-Hassidim-Lloyd (HHL) algorithm (for quantum-gate computers) and the box algorithm (for quantum-annealing machines), have been proposed for solving such systems. The focus of this paper is on improving the efficiency of the box algorithm. The basic principle behind this algorithm is to transform the linear system into a series of quadratic unconstrained binary optimization (QUBO) problems, which are then solved on annealing machines. The computational efficiency of the box algorithm is entirely determined by the number of iterations, which, in turn, depends on the box contraction ratio, typically set to 0.5. Here, we show through theory that a contraction ratio of 0.5 is sub-optimal and that we can achieve a speed-up with a contraction ratio of 0.2. This is confirmed through numerical experiments where a speed-up between $20 \%$ to $60 \%$ is observed when the optimal contraction ratio is used.

cs.CE↗

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.

cs.CE↗

arXiv2023

Computing a Sparse Approximate Inverse on Quantum Annealing Machines

Many engineering problems involve solving large linear systems of equations. Conjugate gradient (CG) is one of the most popular iterative methods for solving such systems. However, CG typically requires a good preconditioner to speed up convergence. One such preconditioner is the sparse approximate inverse (SPAI). In this paper, we explore the computation of an SPAI on quantum annealing machines by solving a series of quadratic unconstrained binary optimization (QUBO) problems. Numerical experiments are conducted using both well-conditioned and poorly-conditioned linear systems arising from a 2D finite difference formulation of the Poisson problem.

math.NA↗

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.

cs.CE↗

arXiv2023

Isoparametric Tangled Finite Element Method for Nonlinear Elasticity

An important requirement in the standard finite element method (FEM) is that all elements in the underlying mesh must be tangle-free i.e., the Jacobian must be positive throughout each element. To relax this requirement, an isoparametric tangled finite element method (i-TFEM) was recently proposed for linear elasticity problems. It was demonstrated that i-TFEM leads to optimal convergence even for severely tangled meshes. In this paper, i-TFEM is generalized to nonlinear elasticity. Specifically, a variational formulation is proposed that leads to local modification in the tangent stiffness matrix associated with tangled elements, and an additional piece-wise compatibility constraint. i-TFEM reduces to standard FEM for tangle-free meshes. The effectiveness and convergence characteristics of i-TFEM are demonstrated through a series of numerical experiments, involving both compressible and in-compressible problems.

math.NA↗

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.

math.NA↗

arXiv2022

A Generalized Framework for Microstructural Optimization using Neural Networks

Microstructures, i.e., architected materials, are designed today, typically, by maximizing an objective, such as bulk modulus, subject to a volume constraint. However, in many applications, it is often more appropriate to impose constraints on other physical quantities of interest. In this paper, we consider such generalized microstructural optimization problems where any of the microstructural quantities, namely, bulk, shear, Poisson ratio, or volume, can serve as the objective, while the remaining can serve as constraints. In particular, we propose here a neural-network (NN) framework to solve such problems. The framework relies on the classic density formulation of microstructural optimization, but the density field is represented through the NN's weights and biases. The main characteristics of the proposed NN framework are: (1) it supports automatic differentiation, eliminating the need for manual sensitivity derivations, (2) smoothing filters are not required due to implicit filtering, (3) the framework can be easily extended to multiple-materials, and (4) a high-resolution microstructural topology can be recovered through a simple post-processing step. The framework is illustrated through a variety of microstructural optimization problems.

cond-mat.mtrl-sci↗

arXiv2022

Towards tangled finite element analysis over partially inverted hexahedral elements

If a finite element mesh contains concave elements, it is said to tangled. Tangled meshes can occur during mesh generation, mesh optimization, and large deformation simulations, and will lead to erroneous results during finite element analysis. Recently, the authors introduced the tangled finite element method (TFEM) to accurately handle tangled 2D concave quadrilateral elements. In this paper, TFEM is extended to 3D hexahedral elements. We demonstrate that TFEM leads to accurate results over tangled hexahedral elements, requiring minimal changes to existing FEM framework.

math.NA↗

arXiv2022

FRC-TOuNN: Topology Optimization of Continuous Fiber Reinforced Composites using Neural Network

In this paper, we present a topology optimization (TO) framework to simultaneously optimize the matrix topology and fiber distribution of functionally graded continuous fiber-reinforced composites (FRC). Current approaches in density-based TO for FRC use the underlying finite element mesh both for analysis and design representation. This poses several limitations while enforcing sub-element fiber spacing and generating high-resolution continuous fibers. In contrast, we propose a mesh-independent representation based on a neural network (NN) both to capture the matrix topology and fiber distribution. The implicit NN-based representation enables geometric and material queries at a higher resolution than a mesh discretization. This leads to the accurate extraction of functionally-graded continuous fibers. Further, by integrating the finite element simulations into the NN computational framework, we can leverage automatic differentiation for end-to-end automated sensitivity analysis, i.e., we no longer need to manually derive cumbersome sensitivity expressions. We demonstrate the effectiveness and computational efficiency of the proposed method through several numerical examples involving various objective functions. We also show that the optimized continuous fiber reinforced composites can be directly fabricated at high resolution using additive manufacturing.

cs.CE↗

arXiv2022

GM-TOuNN: Graded Multiscale Topology Optimization using Neural Networks

Multiscale topology optimization (M-TO) entails generating an optimal global topology, and an optimal set of microstructures at a smaller scale, for a physics-constrained problem. With the advent of additive manufacturing, M-TO has gained significant prominence. However, generating optimal microstructures at various locations can be computationally very expensive. As an alternate, graded multiscale topology optimization (GM-TO) has been proposed where one or more pre-selected and graded (parameterized) microstructural topologies are used to fill the domain optimally. This leads to a significant reduction in computation while retaining many of the benefits of M-TO. A successful GM-TO framework must: (1) be capable of efficiently handling numerous pre-selected microstructures, (2) be able to continuously switch between these microstructures during optimization, (3) ensure that the partition of unity is satisfied, and (4) discourage microstructure mixing at termination. In this paper, we propose to meet these requirements by exploiting the unique classification capacity of neural networks. Specifically, we propose a graded multiscale topology optimization using neural-network (GM-TOuNN) framework with the following features: (1) the number of design variables is only weakly dependent on the number of pre-selected microstructures, (2) it guarantees partition of unity while discouraging microstructure mixing, and (3) it supports automatic differentiation, thereby eliminating manual sensitivity analysis. The proposed framework is illustrated through several examples.

cs.CE↗