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MPNet: A modular deep learning process TCAD surrogate modeling framework

Qipei Zhang1, Pengwei Liu2, Wenzhang Fang1, Dong Ni1 and Yuting Kong1,

+ Author Affiliations

 Corresponding author: Yuting Kong, ytkong@zju.edu.cn

DOI: 10.1088/1674-4926/25100005CSTR: 32376.14.1674-4926.25100005

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Abstract: The computational cost of TCAD simulations is becoming prohibitively high with the complexity of advanced process technologies, making simulation acceleration a critical research priority. While end-to-end surrogate models mapping process recipes to device structures and characteristics offer a promising alternative, their application is often limited by poor generalizability and explainability. In this work, we present MPNet, a modular deep learning surrogate modeling framework for process TCAD. MPNet comprises distinct surrogate models for individual process modules, which are assembled into an integrated framework. These modular models employ a novel UNet-attention feature evolution method to capture the complex evolutions of device geometry and doping profiles. Each module can be trained separately on its individual process, after which the modules are cascaded and jointly fine-tuned to minimize error accumulation throughout the cascade. The efficacy of the proposed MPNet framework is demonstrated through a MOSFET integrated process TCAD case study. Results show that MPNet achieves a computational speedup of over 103 times compared to conventional TCAD, while maintaining predictive fidelity exceeding 98%. Finally, to illustrated the application of the proposed framework, MPNet is coupled with a PSO algorithm, showcasing its utility for fast process optimization to meet specific process targets.

Key words: modular surrogate modeldeep learningprocess TCADPSO



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Wu T, Guo J. Multiobjective design of 2-D-material-based field-effect transistors with machine learning methods. IEEE Trans Electron Devices, 2021, 68(11): 5476 doi: 10.1109/TED.2021.3085701
[2]
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[3]
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[4]
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Xiao T Q, Ni D. Multiscale modeling and recurrent neural network based optimization of a plasma etch process. Processes, 2021, 9(1): 151 doi: 10.3390/pr9010151
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Xu H Q, Gan W Z, Cao L, et al. A machine learning approach for optimization of channel geometry and source/drain doping profile of stacked nanosheet transistors. IEEE Trans Electron Devices, 2022, 69(7): 3568 doi: 10.1109/TED.2022.3175708
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Wang Z, Bovik A C, Sheikh H R, et al. Image quality assessment: From error visibility to structural similarity. IEEE Trans Image Process, 2004, 13(4): 600 doi: 10.1109/TIP.2003.819861
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Kennedy J, Eberhart R, A new optimizer using particle swarm theory, IEEE Int Symp Micro Mach Human Sci, 1995: 39
Fig. 1.  (Color online) The framework of MPNet.

Fig. 2.  (Color online) The module of MPNet, composed of a UNet and a cross-attention-based feature evolution block.

Fig. 3.  (Color online) Fine-tuned MPNet for integrated process.

Fig. 4.  (Color online) The step-by-step prediction of the integrated process.

Fig. 5.  (Color online) The performance of MPNet using MSE/CE as the loss function.

Fig. 6.  (Color online) The PSO algorithm repeatedly calls MPNet as a fitness function to find the optimal recipes.

Fig. 7.  (Color online) Visualization of the case MOSFET integrated process before&after PSO

Fig. 8.  (Color online) The cost decline curve of PSO. (a) Different number of particles (b) Different w (c) Different combinations of C1 and C2 (d) integrated process and different single steps

Fig. 9.  (Color online) The distribution of the optimized recipe parameters normalized against the ground truth

Fig. 10.  (Color online) Visualization of target image, TCAD ground-truth image, and corresponding prediction using PSO optimal recipes (a) process module: Poly etch (b) process module: LDD implant (c)Integrated process

Fig. 11.  (Color online) Comparison of the I-V test results of the devices obtained from the optimal recipe generated by PSO with the truth from TCAD

Table 1.   SelectedrecipesandtheirrangesfortheintegratedMOSFETprocesscasestudy.

Process Parameters Max Min
Lgate (μm) 0.188 0.172
Slice angle (°) 42.0 48.0
Init boron (cm−2) 9.0×1014 1.2×1015
Diffuse1 temp (°C) 990 1010
PadOx thickness (A˚) 300 700
Drivein temp (°C) 970 1030
PadNT (s) 0.1 0.3
LOCOS mask thickness (μm) 0.2 0.8
LOCOS etch time (s) 1.6 2.0
LOCOS oxide temp (°C) 880 920
TEOS (A˚) 12 28
STI depth (A˚) 0.3 0.7
STI tilt (°) 70 90
STI rate (A˚/s) 0.013 0.017
STI time (s) 1.95 2.0
Vth dose (cm−2) 1.00×1012 7.00×1012
DownLoad: CSV

Table 2.   MPNet process modules results (%)

StepDescriptionSSIMIOUPSNR
1PAD deposition99.699.9
2LOCOS etch99.699.8
3LOCOS reoxide99.499.2
4LOCOS oxide98.899.6
5LOCOS oxide etch99.099.2
6STI etch98.298.5
7STI oxide deposition98.999.7
8Vth adjustment implant97.534.8
9Poly deposition99.899.9
10Poly etch99.699.7
11LDD implant97.836.7
12Pocket implant97.235.1
13LDD diffuse97.449.9
14Spacer deposition99.299.7
15Spacer etch99.499.9
16SD implant98.640.2
17SD diffuse98.847.7
18Silicide99.199.6
DownLoad: CSV

Table 3.   Comparison of evaluation metrics (IOU / SSIM / MSE) under various processes (%).

ProcessMethodIOUSSIMMSE

Film
RTT[18]96.896.24.2
Pix2pix[26]97.598.12.8
DeeplabV3+[7]97.297.93.1
MPNet99.199.71.2

Etch
RTT[18]96.595.94.5
Pix2pix[26]97.898.22.6
DeeplabV3+[7]97.498.02.9
MPNet99.299.41.3

Imp
RTT[18]/95.54.9
Pix2pix[26]/97.53.2
DeeplabV3+[7]/97.23.5
MPNet/98.81.7

Integrated
RTT[18]95.695.14.8
Pix2pix[26]96.997.23.6
DeeplabV3+[7]97.597.83.0
MPNet98.598.72.1
DownLoad: CSV

Table 4.   Comparison of 50 integrated process runs predict- ing time(s)

StepTCADMPNet
PAD deposition520.0115
LOCOS etch80.0036
LOCOS reoxide400.0112
LOCOS oxide210.0031
LOCOS oxide etch470.0030
STI etch110.0113
STI oxide deposition570.0104
Vth adjustment implant620.0553
Poly deposition90.0223
Poly etch170.0202
LDD implant180.0358
Pocket implant500.0432
LDD diffuse1030.0221
Spacer deposition110.0058
Spacer etch170.0056
SD implant470.0233
SD diffuse1270.0228
Silicide420.0032
Integrated7490.3134
DownLoad: CSV

Table 5.   Comparison of parameter quantity before and after parameter sharing (M)

ModulesModel NumBeforeAfter
Etch58.751.76
Film712.251.76
Implant610.51.78
DownLoad: CSV

Table 6.   MPNet’s etch module SSIM accuracy before and after parameter sharing (%)

ModelsBeforeAfter
LOCOS-Etch99.699.6
LOCOS-OX-Etch99.098.8
STI-Etch98.297.9
Poly-Etch99.699.4
Spacer-Etch99.799.6
DownLoad: CSV

Table 7.   SSIM of ablation studies for different feature evolution methods (%)

MethodsFilmEtchImplantFull - Loop
Early98.498.296.297.2
Late98.898.897.898.1
Concatenate98.898.597.298.2
Dot Product99.299.197.698.6
MPNet99.499.198.298.7
DownLoad: CSV
[1]
Wu T, Guo J. Multiobjective design of 2-D-material-based field-effect transistors with machine learning methods. IEEE Trans Electron Devices, 2021, 68(11): 5476 doi: 10.1109/TED.2021.3085701
[2]
Koshimoto H, Ishimabushi H, Yoo J, et al. Gummel-cycle algebraic multi-grid pre-conditioning for large-scale device simulations. 2020 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), 2020: 51
[3]
Myung S, Choi B, Jang W, et al. Comprehensive studies on deep learning applicable to TCAD. Jpn J Appl Phys, 2023, 62: SC0808 doi: 10.35848/1347-4065/acbaa6
[4]
Liu P W, Hao Z K, Ren X Y, et al. Papm: A physics-aware proxy model for process systems. Proc Int Conf Mach Learn, 2024, 235: 31080
[5]
Liu P W, Wang P K, Ren X Y, et al. AeroGTO: An efficient graph-transformer operator for learning large-scale aerodynamics of 3d vehicle geometries. Proc AAAI Conf Artif Intell, 2025, 39(18): 18924 doi: 10.1609/aaai.v39i18.34083
[6]
Wu Q X, Liu P W, Ren X Y, et al. MPG: An efficient multi-scale point-based GNN for non-uniform meshes. Machine Learning and Knowledge Discovery in Databases. Research Track. Cham: Springer Nature Switzerland, 2025: 3
[7]
Thomann S, Novkin R, Li J J, et al. ML-TCAD: Accelerating FeFET reliability analysis using machine learning. IEEE Trans Electron Devices, 2024, 71(1): 213 doi: 10.1109/TED.2023.3336305
[8]
Han S C, Choi J, Hong S M. Acceleration of semiconductor device simu- lation with approximate solutions predicted by trained neural networks. IEEE Trans Electron Devices, 2021, 68(11): 5483 doi: 10.1109/TED.2021.3075192
[9]
Fan G X, Ma T L, Sun X G, et al. Graph attention network-based unified TCAD modeling enabling fast design technology co-optimization through transfer learning. IEEE Trans Electron Devices, 2025, 72(1): 474 doi: 10.1109/TED.2024.3493854
[10]
Choi H C, Yun H, Yoon J S, et al. Neural approach for modeling and optimizing Si-MOSFET manufacturing. IEEE Access, 2020, 8: 159351 doi: 10.1109/ACCESS.2020.3019933
[11]
Guo J M, Geng M Q, Ren K, et al. Optimizing plasma etching: Integrating precise three-dimensional etching simulation and machine learning for multi-objective optimization. IEEE Access, 2024, 12: 127065 doi: 10.1109/ACCESS.2024.3444454
[12]
Lukasiak L, Jakubowski A. The influence of nonuniform doping profile on I-V characteristics of MOS transistors. IEEE Trans Electron Devices, 1993, 40(2): 453 doi: 10.1109/16.182527
[13]
Ghulghazaryan R, Piliposyan D, Wilson J. Application of neural network-based oxide deposition models to CMP modeling. ECS J Solid State Sci Technol, 2019, 8(5): P3154 doi: 10.1149/2.0231905jss
[14]
Liu P W, Wu Q X, Ren X Y, et al. A deep-learning-based surrogate modeling method with application to plasma processing. Chem Eng Res Des, 2024, 211: 299 doi: 10.1016/j.cherd.2024.09.031
[15]
Xiao T Q, Ni D. Multiscale modeling and recurrent neural network based optimization of a plasma etch process. Processes, 2021, 9(1): 151 doi: 10.3390/pr9010151
[16]
Xu H Q, Gan W Z, Cao L, et al. A machine learning approach for optimization of channel geometry and source/drain doping profile of stacked nanosheet transistors. IEEE Trans Electron Devices, 2022, 69(7): 3568 doi: 10.1109/TED.2022.3175708
[17]
Han S C, Choi J, Hong S M. Acceleration of three-dimensional device simulation with the 3D convolutional neural network. 2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD). Dallas, TX, USA. IEEE, 2021: 52
[18]
Myung S, Kim J, Jeon Y, et al. Real-Time TCAD: A new paradigm for TCAD in the artificial intelligence era. 2020 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD). Kobe, Japan. IEEE, 2020: 347
[19]
Geng M Q, Guo J M, Sun Y T, et al. Accurate and efficient process modeling and inverse optimization for trench metal oxide semiconductor field effect transistors: A machine learning proxy approach. Processes, 2025, 13(5): 1544 doi: 10.3390/pr13051544
[20]
Everingham M, Van Gool L, Williams C K I, et al. The pascal visual object classes (VOC) challenge. Int J Comput Vis, 2010, 88(2): 303 doi: 10.1007/s11263-009-0275-4
[21]
Thung K H, Raveendran P. A survey of image quality measures. 2009 International Conference for Technical Postgraduates (TECHPOS). Kuala Lumpur, Malaysia. IEEE, 2010: 1
[22]
Wang Z, Bovik A C, Sheikh H R, et al. Image quality assessment: From error visibility to structural similarity. IEEE Trans Image Process, 2004, 13(4): 600 doi: 10.1109/TIP.2003.819861
[23]
Synopsys, Inc. Sentaurus device user guide. Mountain View, CA: Synopsys, Inc., 2022
[24]
Silvaco, Inc. ATLAS user’s manual. Santa Clara, CA: Silvaco, Inc, 2023
[25]
Coventor, Inc. Semulator3D user guide. Cary, NC: Coventor, Inc., 2021
[26]
Isola P, Zhu J, Zhou T, et al. IEEE Conference on Computer Vision and Pattern Recognition (CVPR), 2017: 5967
[27]
Kennedy J, Eberhart R, A new optimizer using particle swarm theory, IEEE Int Symp Micro Mach Human Sci, 1995: 39
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    Received: Revised: Online: Accepted Manuscript: 17 March 2026

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      Qipei Zhang, Pengwei Liu, Wenzhang Fang, Dong Ni, Yuting Kong. MPNet: A modular deep learning process TCAD surrogate modeling framework[J]. Journal of Semiconductors, 2026, In Press. doi: 10.1088/1674-4926/25100005 ****Q Zhang, P Liu, W Fang, D Ni, and Y Kong, MPNet: A modular deep learning process TCAD surrogate modeling framework[J]. J. Semicond., 2026, accepted doi: 10.1088/1674-4926/25100005
      Citation:
      Qipei Zhang, Pengwei Liu, Wenzhang Fang, Dong Ni, Yuting Kong. MPNet: A modular deep learning process TCAD surrogate modeling framework[J]. Journal of Semiconductors, 2026, In Press. doi: 10.1088/1674-4926/25100005 ****
      Q Zhang, P Liu, W Fang, D Ni, and Y Kong, MPNet: A modular deep learning process TCAD surrogate modeling framework[J]. J. Semicond., 2026, accepted doi: 10.1088/1674-4926/25100005

      MPNet: A modular deep learning process TCAD surrogate modeling framework

      DOI: 10.1088/1674-4926/25100005
      CSTR: 32376.14.1674-4926.25100005
      More Information
      • Qipei Zhang is an Eng.D. student in the College of Integrated Circuits at Zhejiang University, beginning his studies in 2023. He received his B.S. degree in Microelectronics Science and Engineering from East China Normal University in 2023. His current research focuses on AI for Integrated Circiuts Manufacturing
      • Pengwei Liu is a Ph.D. student in the Department of Control Science and Engineering at Zhejiang University, beginning his studies in 2022. He received his B.S. degree in Mathematics and Applied Mathematics from Hefei University of Technology in 2022. His current research focuses on AI for Scientific Computing
      • Wenzhang Fang is a Principal Investigator at the College of Integrated Circuits of Zhejiang University (ZJU) and a researcher at ZJU-Hangzhou Global Scientific and Technological Innovation Center (HIC-ZJU). His main research focuses on integrated circuit manufacturing processes, AI-based integrated circuit manufacturing, and 2D material integrated image sensor chips. He has published over 60 papers in high-level academic journals, which have been cited more than 2,800 times
      • Dong Ni is a Professor and Doctoral Advisor at the College of Integrated Circuits, Zhejiang University. He received his Ph.D. from the University of California, Los Angeles (UCLA) in 2005. His primary research interests focus on the application of multi-scale systems and artificial intelligence methods to smart manufacturing in advanced fields, particularly integrated circuits. He has published numerous high-impact papers at top-tier AI conferences, including those selected for spotlight presentations
      • Yuting Kong is a ZJU100 Young Professor at the College of Integrated Circuits, Zhejiang University. She got her Ph.D. degree from the College of Control Science and Engineering, Zhejiang University in 2021. Her research interests focus on intelligent manufacturing of integrated circuits and automated design of analog circuits
      • Corresponding author: ytkong@zju.edu.cn
      • Available Online: 2026-03-17

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