MP-You A Web-based MPI Simulation Tool (2024)

The-Vinh Tran-LuuUniversity of Maryland, College Park, MD, 20742, USAMark-Alexander HennUniversity of Maryland, College Park, MD, 20742, USANational Institute of Standards and Technology (NIST), Gaithersburg, MD, 20895, USAKlaus N. QuelhasNational Institute of Standards and Technology (NIST), Gaithersburg, MD, 20895, USASolomon I. WoodsNational Institute of Standards and Technology (NIST), Gaithersburg, MD, 20895, USA

(July 30, 2024)

Abstract

Magnetic particle imaging (MPI) is an emerging imaging technique with many applications and a very active field of research. This app provides users with the opportunity to develop some intuition about the inner workings of MPI as it is being researched through NIST’s Thermal MagIC project in an interactive and fun way. Users can vary different experimental and post-processing parameters to see how the image quality and particle reconstruction changes for different measurement conditions.

1 Introduction

Magnetic particle imaging (MPI) was introduced almost twenty years ago as a way for remotely detecting magnetic nanoparticle (MNP) tracers, with several applications in biomedical imaging and diagnosis, as well as materials research [8, 4, 2]. MPI relies on the non-linear magnetization response of MNPs when exposed to time-varying magnetic fields. By generating a moving field-free point (FFP) which saturates all particles but the ones near the no-field region we can scan a specified field of view and measure the magnetization response of the particles in the region of the FFP to a time-varying excitation field.

However, the time signal of the varying magnetic response alone is not enough to deduce the spatial distribution of the MNPs. Obtaining this information requires two additional steps, in which we first relate the time signal to its corresponding spatial position to get an image, and then deblur this image based on the knowledge of the experimental setup and its point spread function (PSF). This process in mathematical terms is also known as solving an inverse problem and amounts to carefully balancing between a good fit to the observed data and a realistic reconstruction.

This web application intends to give the user a tool to see for themselves how different experimental setups can influence the quality and reliability of Magnetic Particle Imaging and can help to illustrate the challenges researchers at NIST face when trying to improve this novel measurement technology[1, 3, 6]. It employs a simplified version of NIST’s MPI library for Python111Reference is made to commercial products to adequately specify the experimental procedures involved. Such identification does not imply recommendation or endorsem*nt by the National Instituteof Standards and Technology, nor does it imply that these products are the best for the purposespecified., and runs using Python Flask, HTML, and CSS, as well as matplotlib and other dependencies. The project code is avaliable for viewing and download on GitHub. You can run the project by cloning the repository, installing the dependencies in the requirements.txt text file, and running the command ”python app.py” in the project directory. Alternatively, the user can access a web-based version of the app via this link.

Similar to MPI, the app consists of two major parts: the signal generation, and the reconstruction of the particle distribution from the generated signal.

1.1 Signal Generation

The signal measured in an MPI setup can be modeled using:

s(t)=BsddtΩρ(x)meff[Happ(x,t)]𝑑x,𝑠𝑡subscript𝐵𝑠𝑑𝑑𝑡subscriptΩ𝜌𝑥𝑚subscripteffdelimited-[]subscript𝐻app𝑥𝑡differential-d𝑥s(t)=-B_{s}\frac{d}{dt}\int_{\Omega}\rho(x)m\mathcal{M}_{\textsf{eff}}[H_{%\textsf{app}}(x,t)]dx,italic_s ( italic_t ) = - italic_B start_POSTSUBSCRIPT italic_s end_POSTSUBSCRIPT divide start_ARG italic_d end_ARG start_ARG italic_d italic_t end_ARG ∫ start_POSTSUBSCRIPT roman_Ω end_POSTSUBSCRIPT italic_ρ ( italic_x ) italic_m caligraphic_M start_POSTSUBSCRIPT eff end_POSTSUBSCRIPT [ italic_H start_POSTSUBSCRIPT app end_POSTSUBSCRIPT ( italic_x , italic_t ) ] italic_d italic_x ,(1)

with ρ𝜌\rhoitalic_ρ the particle distribution, m𝑚mitalic_m is the magnetic moment of a single particle given by the product of the saturation magnetization Mssubscript𝑀𝑠M_{s}italic_M start_POSTSUBSCRIPT italic_s end_POSTSUBSCRIPT in [A/m] and the volume of the core of a single particle, that itself depends on the particle’s diameter d𝑑ditalic_d, Bssubscript𝐵𝑠B_{s}italic_B start_POSTSUBSCRIPT italic_s end_POSTSUBSCRIPT is the coil sensitivity given in [T/A], and effsubscripteff\mathcal{M}_{\textsf{eff}}caligraphic_M start_POSTSUBSCRIPT eff end_POSTSUBSCRIPT is a function describing the magnetization response to a time-varying applied field Happsubscript𝐻appH_{\textsf{app}}italic_H start_POSTSUBSCRIPT app end_POSTSUBSCRIPT.

A commonly applied model for this magnetization behaviour is:

eff[Happ(x,t)]subscripteffdelimited-[]subscript𝐻app𝑥𝑡\displaystyle\mathcal{M}_{\textsf{eff}}[H_{\textsf{app}}(x,t)]caligraphic_M start_POSTSUBSCRIPT eff end_POSTSUBSCRIPT [ italic_H start_POSTSUBSCRIPT app end_POSTSUBSCRIPT ( italic_x , italic_t ) ]=\displaystyle==[κHapp(x,t)]Happ(x,t)Happ(x,t),delimited-[]𝜅normsubscript𝐻app𝑥𝑡subscript𝐻app𝑥𝑡normsubscript𝐻app𝑥𝑡\displaystyle\mathcal{L}[\kappa\|H_{\textsf{app}}(x,t)\|]\frac{H_{\textsf{app}%}(x,t)}{\|H_{\textsf{app}}(x,t)\|},caligraphic_L [ italic_κ ∥ italic_H start_POSTSUBSCRIPT app end_POSTSUBSCRIPT ( italic_x , italic_t ) ∥ ] divide start_ARG italic_H start_POSTSUBSCRIPT app end_POSTSUBSCRIPT ( italic_x , italic_t ) end_ARG start_ARG ∥ italic_H start_POSTSUBSCRIPT app end_POSTSUBSCRIPT ( italic_x , italic_t ) ∥ end_ARG ,(2)

with the so-called Langevin function

[κHapp(x,t)]delimited-[]𝜅normsubscript𝐻app𝑥𝑡\displaystyle\mathcal{L}[\kappa\|H_{\textsf{app}}(x,t)\|]caligraphic_L [ italic_κ ∥ italic_H start_POSTSUBSCRIPT app end_POSTSUBSCRIPT ( italic_x , italic_t ) ∥ ]=\displaystyle==coth[κHapp(x,t)]1κHapp(x,t),hyperbolic-cotangent𝜅normsubscript𝐻app𝑥𝑡1𝜅normsubscript𝐻app𝑥𝑡\displaystyle\coth[\kappa\|H_{\textsf{app}}(x,t)\|]-\frac{1}{\kappa\|H_{%\textsf{app}}(x,t)\|},roman_coth [ italic_κ ∥ italic_H start_POSTSUBSCRIPT app end_POSTSUBSCRIPT ( italic_x , italic_t ) ∥ ] - divide start_ARG 1 end_ARG start_ARG italic_κ ∥ italic_H start_POSTSUBSCRIPT app end_POSTSUBSCRIPT ( italic_x , italic_t ) ∥ end_ARG ,(3)

and κ=μ0mkBT𝜅subscript𝜇0𝑚subscript𝑘𝐵𝑇\kappa=\frac{\mu_{0}m}{k_{B}T}italic_κ = divide start_ARG italic_μ start_POSTSUBSCRIPT 0 end_POSTSUBSCRIPT italic_m end_ARG start_ARG italic_k start_POSTSUBSCRIPT italic_B end_POSTSUBSCRIPT italic_T end_ARG, kBsubscript𝑘𝐵k_{B}italic_k start_POSTSUBSCRIPT italic_B end_POSTSUBSCRIPT is the Boltzmann constant and T𝑇Titalic_T is the temperature in K𝐾Kitalic_K. MPI utilizes the non-linear magnetization response by creating a field-free point (FFP) that is sensitive to high-frequency changes of the applied field. This is done by combining a gradient field with a gradient G𝐺Gitalic_G matrix, and a so-called drive field Hdsubscript𝐻𝑑H_{d}italic_H start_POSTSUBSCRIPT italic_d end_POSTSUBSCRIPT, such that the position of the FFP is given by

r(t)=G1Hd(t).𝑟𝑡superscript𝐺1subscript𝐻𝑑𝑡r(t)=G^{-1}H_{d}(t).italic_r ( italic_t ) = italic_G start_POSTSUPERSCRIPT - 1 end_POSTSUPERSCRIPT italic_H start_POSTSUBSCRIPT italic_d end_POSTSUBSCRIPT ( italic_t ) .(4)

In the present case, the drive field is defined via

Hd=[H0sin(2πf0t)H1sin(2πf1t)],subscript𝐻𝑑matrixsubscript𝐻02𝜋subscript𝑓0𝑡subscript𝐻12𝜋subscript𝑓1𝑡H_{d}=\begin{bmatrix}H_{0}\sin(2\pi f_{0}t)\\H_{1}\sin(2\pi f_{1}t)\end{bmatrix},italic_H start_POSTSUBSCRIPT italic_d end_POSTSUBSCRIPT = [ start_ARG start_ROW start_CELL italic_H start_POSTSUBSCRIPT 0 end_POSTSUBSCRIPT roman_sin ( 2 italic_π italic_f start_POSTSUBSCRIPT 0 end_POSTSUBSCRIPT italic_t ) end_CELL end_ROW start_ROW start_CELL italic_H start_POSTSUBSCRIPT 1 end_POSTSUBSCRIPT roman_sin ( 2 italic_π italic_f start_POSTSUBSCRIPT 1 end_POSTSUBSCRIPT italic_t ) end_CELL end_ROW end_ARG ] ,(5)

which leads to a so-called Lissajous trajectory for the FFP.

From Eq. (4) it follows that the combination of the gradient field and the drive-field amplitudes determines the maximum range of the trajectory r𝑟ritalic_r, and hence the dimensions of the field of view (FOV). In the present case, we fix the dimensions of the FOV, such that the drive field amplitudes H0subscript𝐻0H_{0}italic_H start_POSTSUBSCRIPT 0 end_POSTSUBSCRIPT and H1subscript𝐻1H_{1}italic_H start_POSTSUBSCRIPT 1 end_POSTSUBSCRIPT become dependent variables. Using the information about the FFP trajectory, we can correlate the time signal from Eq. (1) with its spatial position and obtain what sometimes is called the raw image: a blurred version of the original particle distribution, with the degree of blurring determined by the experimental parameters, and ultimately the point spread function of the system.

1.2 Image Reconstruction

The MPI system is a linear-shift invariant system [5]. Hence, the n𝑛nitalic_n-dimensional signal vector y𝑦yitalic_y stemming from an arbitrary distribution of particles ρ𝜌\rhoitalic_ρ can be understood as a weighted sum of signals from δ𝛿\deltaitalic_δ-samples placed at different positions within the FOV that has been discretized into m𝑚mitalic_m voxels. The weights are proportional to the number of particles at that position, and can be determined from a simple matrix equation:

Sρ=y+ϵ,withSm×n,ρm,yn.formulae-sequence𝑆𝜌𝑦italic-ϵformulae-sequencewith𝑆superscript𝑚𝑛formulae-sequence𝜌superscript𝑚𝑦superscript𝑛S\rho=y+\epsilon,~{}\mathrm{with}~{}S\in\mathbb{R}^{m\times n},\rho\in\mathbb{%R}^{m},y\in\mathbb{R}^{n}.italic_S italic_ρ = italic_y + italic_ϵ , roman_with italic_S ∈ blackboard_R start_POSTSUPERSCRIPT italic_m × italic_n end_POSTSUPERSCRIPT , italic_ρ ∈ blackboard_R start_POSTSUPERSCRIPT italic_m end_POSTSUPERSCRIPT , italic_y ∈ blackboard_R start_POSTSUPERSCRIPT italic_n end_POSTSUPERSCRIPT .(6)

The matrix S𝑆Sitalic_S is called the system matrix, its columns correspond to the measured n𝑛nitalic_n-dimensional signal from a δ𝛿\deltaitalic_δ-sample put at the m𝑚mitalic_m different positions within the FOV, the term ϵitalic-ϵ\epsilonitalic_ϵ denotes possible noise in the measurement. In general m<n𝑚𝑛m<nitalic_m < italic_n, which means we are faced with an overdetermined system, so the inverse of the matrix S𝑆Sitalic_S can not be defined in a straight-forward manner, and instead of solving for ρ𝜌\rhoitalic_ρ directly we need to consider the optimization problem [7]:

ρ^=argminρmSρ(y+ϵ).^𝜌𝜌superscript𝑚argminnorm𝑆𝜌𝑦italic-ϵ\hat{\rho}=\underset{\rho\in\mathbb{R}^{m}}{\mathrm{argmin}}\|S\rho-(y+%\epsilon)\|.over^ start_ARG italic_ρ end_ARG = start_UNDERACCENT italic_ρ ∈ blackboard_R start_POSTSUPERSCRIPT italic_m end_POSTSUPERSCRIPT end_UNDERACCENT start_ARG roman_argmin end_ARG ∥ italic_S italic_ρ - ( italic_y + italic_ϵ ) ∥ .(7)

Since this system of linear equations is overdetermined, there can be more than one solution that fits the measurement data well. It is however reasonable to expect the solution to this equation to be somewhat regular or smooth, or in other words to have a small l2superscript𝑙2l^{2}italic_l start_POSTSUPERSCRIPT 2 end_POSTSUPERSCRIPT-norm, leading us to add a so-called regularization term, given by λrρsubscript𝜆𝑟norm𝜌\lambda_{r}\|\rho\|italic_λ start_POSTSUBSCRIPT italic_r end_POSTSUBSCRIPT ∥ italic_ρ ∥ to our cost function. This leads to the regularized version of our problem:

ρ^=argminρm{Sρ(y+ϵ)+λrρ}.^𝜌𝜌superscript𝑚argminnorm𝑆𝜌𝑦italic-ϵsubscript𝜆𝑟norm𝜌\hat{\rho}=\underset{\rho\in\mathbb{R}^{m}}{\mathrm{argmin}}\left\{\|S\rho-(y+%\epsilon)\|+\lambda_{r}\|\rho\|\right\}.over^ start_ARG italic_ρ end_ARG = start_UNDERACCENT italic_ρ ∈ blackboard_R start_POSTSUPERSCRIPT italic_m end_POSTSUPERSCRIPT end_UNDERACCENT start_ARG roman_argmin end_ARG { ∥ italic_S italic_ρ - ( italic_y + italic_ϵ ) ∥ + italic_λ start_POSTSUBSCRIPT italic_r end_POSTSUBSCRIPT ∥ italic_ρ ∥ } .(8)

By varying the value of λrsubscript𝜆𝑟\lambda_{r}italic_λ start_POSTSUBSCRIPT italic_r end_POSTSUBSCRIPT we can balance between the goodness-of-fit to the signal and the desired smoothness of the solution.

2 User Guide

Our web-based app employs the models and techniques introduced in the previous section to provide an interactive environment that can help to develop a better understanding of the MPI framework. This process again consists of two separate steps: the signal generation and the reconstruction.

2.1 Signal Generation in App

MP-You A Web-based MPI Simulation Tool (1)

The first interactive screen is the simulation screen, in which the raw time signal data can be generated. Once the user hits the Run Code! button the app starts calculating the necessary data and puts out four plots. These consist of the ground truth particle distribution and the magnetization curve, see Fig. (2), and the FFP trajectory and the raw signal, see Fig. (3). Noise is added to the generated data, via the term ϵitalic-ϵ\epsilonitalic_ϵ in Eq. (6). It is drawn from a normal distribution with zero mean and a standard deviation that is proportional to the maximum of the generated signal, hence ϵ𝒩(0,σ2)similar-toitalic-ϵ𝒩0superscript𝜎2\epsilon\sim\mathcal{N}(0,\sigma^{2})italic_ϵ ∼ caligraphic_N ( 0 , italic_σ start_POSTSUPERSCRIPT 2 end_POSTSUPERSCRIPT ), with σ=κmax(y)𝜎𝜅𝑦\sigma=\kappa\cdot\max(y)italic_σ = italic_κ ⋅ roman_max ( italic_y ), such that a noise level of 0.010.010.010.01 corresponds to a standard deviation of 1% of the maximum of the measured signal.

ParameterSymbolDefault value
Gradient field in x𝑥xitalic_x-directiong00subscript𝑔00g_{00}italic_g start_POSTSUBSCRIPT 00 end_POSTSUBSCRIPT8 T/m
Drive coil frequency in x𝑥xitalic_x-directionf0subscript𝑓0f_{0}italic_f start_POSTSUBSCRIPT 0 end_POSTSUBSCRIPT25.5 kHz
Drive coil frequency in y𝑦yitalic_y-directionf1subscript𝑓1f_{1}italic_f start_POSTSUBSCRIPT 1 end_POSTSUBSCRIPT25.25 kHz
Particle diameterd𝑑ditalic_d20 nm
Saturation magnetizationMssubscript𝑀𝑠M_{s}italic_M start_POSTSUBSCRIPT italic_s end_POSTSUBSCRIPT4.51054.5superscript1054.5\cdot 10^{5}4.5 ⋅ 10 start_POSTSUPERSCRIPT 5 end_POSTSUPERSCRIPT A/m
Coil sensitivityBssubscript𝐵𝑠B_{s}italic_B start_POSTSUBSCRIPT italic_s end_POSTSUBSCRIPT81048superscript1048\cdot 10^{-4}8 ⋅ 10 start_POSTSUPERSCRIPT - 4 end_POSTSUPERSCRIPT T/A
Regularization parameter exponentλ𝜆\lambdaitalic_λ-6
Noise levelκ𝜅\kappaitalic_κ103superscript10310^{-3}10 start_POSTSUPERSCRIPT - 3 end_POSTSUPERSCRIPT
MP-You A Web-based MPI Simulation Tool (2)

Note, that the ground truth particle distribution is not affected by varying the experimental parameters, as are the x𝑥xitalic_x and y𝑦yitalic_y dimensions of the FOV. The M vs. H curve changes with Mssubscript𝑀𝑠M_{s}italic_M start_POSTSUBSCRIPT italic_s end_POSTSUBSCRIPT, d𝑑ditalic_d, and g00subscript𝑔00g_{00}italic_g start_POSTSUBSCRIPT 00 end_POSTSUBSCRIPT (see Table 1) such that an increase in Mssubscript𝑀𝑠M_{s}italic_M start_POSTSUBSCRIPT italic_s end_POSTSUBSCRIPT or d𝑑ditalic_d leads to a steeper shape, and a change in only g00subscript𝑔00g_{00}italic_g start_POSTSUBSCRIPT 00 end_POSTSUBSCRIPT only changes the range of H𝐻Hitalic_H over which we plot the M vs. H curve. It is important to note that the user only provides a single value g00subscript𝑔00g_{00}italic_g start_POSTSUBSCRIPT 00 end_POSTSUBSCRIPT for the gradient matrix G, from we which construct the gradient matrix as:

G=[g000012g00]𝐺matrixsubscript𝑔000012subscript𝑔00G=\begin{bmatrix}g_{00}&0\\0&-\frac{1}{2}g_{00}\end{bmatrix}italic_G = [ start_ARG start_ROW start_CELL italic_g start_POSTSUBSCRIPT 00 end_POSTSUBSCRIPT end_CELL start_CELL 0 end_CELL end_ROW start_ROW start_CELL 0 end_CELL start_CELL - divide start_ARG 1 end_ARG start_ARG 2 end_ARG italic_g start_POSTSUBSCRIPT 00 end_POSTSUBSCRIPT end_CELL end_ROW end_ARG ]
MP-You A Web-based MPI Simulation Tool (3)

In our setting, the FFP trajectory is only a function of f0subscript𝑓0f_{0}italic_f start_POSTSUBSCRIPT 0 end_POSTSUBSCRIPT and f1subscript𝑓1f_{1}italic_f start_POSTSUBSCRIPT 1 end_POSTSUBSCRIPT, since we fix the FOV and change the drive field amplitudes accordingly, while the raw signal depends on all mentioned parameters, and the noise level. Note, that changing the value of the coil sensitivity Bssubscript𝐵𝑠B_{s}italic_B start_POSTSUBSCRIPT italic_s end_POSTSUBSCRIPT only scales the generated signal.

By clicking on the Next (Reconstruction) button, the user advances to the next screen which provides the reconstructed particle distribution along with some additional information.

2.2 Image Reconstruction in App

MP-You A Web-based MPI Simulation Tool (4)

Using the data generated in the previous screen, we determine the particle distribution from the raw signal data, and are presented with five plots. The first two in Fig. (5) show the time signal related to its spatial position, also called the raw image, and the point spread function (PSF) which gives us an idea about the blurring that stems from the selected experimental parameters. In general a larger value for g00subscript𝑔00g_{00}italic_g start_POSTSUBSCRIPT 00 end_POSTSUBSCRIPT leads to less dispersed PSF, and hence a better resolution in the raw image. The second set of plots, Fig. (6), show the reconstructed particle distribution in terms of profiles along the two FOV axes, and a 2D representation of the reconstruction.

MP-You A Web-based MPI Simulation Tool (5)
MP-You A Web-based MPI Simulation Tool (6)

When you hit the Run Again! button the reconstruction is rerun. This is helpful to investigate how the regularization parameter λ𝜆\lambdaitalic_λ or various experimental parameters change the reconstruction. Note, that the effective regularization parameter λrsubscript𝜆𝑟\lambda_{r}italic_λ start_POSTSUBSCRIPT italic_r end_POSTSUBSCRIPT in Eq. (8) is calculated as λr=10λsubscript𝜆𝑟superscript10𝜆\lambda_{r}=10^{\lambda}italic_λ start_POSTSUBSCRIPT italic_r end_POSTSUBSCRIPT = 10 start_POSTSUPERSCRIPT italic_λ end_POSTSUPERSCRIPT.

References

  • [1]T.Q. Bui, M.-A. Henn, W.L. Tew, M.A. Catterton, and S.I. Woods.Harmonic dependence of thermal magnetic particle imaging.Scientific Reports, 13(1):15762, 2023.
  • [2]B.Gleich and J.Weizenecker.Tomographic imaging using the nonlinear response of magnetic particles.Nature, 435(7046):1214–1217, 2005.
  • [3]M.-A. Henn, K.N. Quelhas, T.Q. Bui, and S.I. Woods.Improving model-based MPI image reconstructions: Baseline recovery, receive coil sensitivity, relaxation and uncertainty estimation.International Journal on Magnetic Particle Imaging, 8(1), 2022.
  • [4]T.Knopp and T.M. Buzug.Magnetic Particle Imaging: An Introduction to Imaging Principles and Scanner Instrumentation.Springer, Berlin/Heidelberg, 2012.
  • [5]K.Lu, P.W. Goodwill, E.U. Saritas, B.Zheng, and S.M. Conolly.Linearity and shift invariance for quantitative magnetic particle imaging.IEEE transactions on medical imaging, 32(9):1565–1575, 2013.
  • [6]K.N. Quelhas, M.-A. Henn, R.C. Farias, W.L. Tew, and S.I. Woods.GPU-accelerated parallel image reconstruction strategies for magnetic particle imaging.Physics in Medicine & Biology, 69(13), 2024.
  • [7]A.Tarantola.Inverse problem theory and methods for model parameter estimation.SIAM, 2005.
  • [8]J.Weizenecker, J.Borgert, and B.Gleich.A simulation study on the resolution and sensitivity of magnetic particle imaging.Physics in Medicine & Biology, 52(21):6363, 2007.
MP-You A Web-based MPI Simulation Tool (2024)

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