Business ML in Action: Predicting CMOS Process Cost with Neural Networks

This case study demonstrates how machine learning can be applied to model and forecast process-level economics in semiconductor manufacturing. A simplified CMOS wafer fabrication line consisting of ten distinct steps was used to simulate time and cost parameters, forming the basis for synthetic training data. A neural network was developed to predict total wafer processing cost based on these stepwise inputs.

Using 5000 training samples and ±5% random noise, a 64-64-1 neural network architecture achieved an R² of 0.8671 and a mean absolute error (MAE) of $85.69 on unseen test data. These results are strong given that the process cost values span a range from approximately $2200 to $4200.

The model supports rapid economic inference and enables simulation of what-if scenarios across fabrication conditions. More broadly, this approach illustrates how Business ML (BML) can be applied to any structured process where time and cost parameters are distributed across sequential operations. The methodology generalizes beyond semiconductors and can be adapted to manufacturing systems, chemical processing, pharmaceutical production, and other domains where cost forecasting plays a critical decision-making role.

Introduction

Business decisions in manufacturing often depend on understanding how time, resources, and process complexity translate into economic outcomes. While many industries rely on spreadsheets or rule-of-thumb estimates to forecast costs, these methods are often slow, rigid, and poorly suited to managing complex, multistep operations. This is where Business ML (BML), the application of machine learning to economic inference, offers a compelling alternative.

This case study applies a Business ML approach to a simplified CMOS (complementary metal-oxide-semiconductor) wafer fabrication process. The semiconductor industry is well suited for cost modeling because of its highly structured process flows, detailed time and equipment usage data, and the economic sensitivity of each fabrication step. By simulating time and cost inputs across ten key process stages, a neural network model was trained to predict total wafer processing cost with strong accuracy and generalization.

Unlike traditional process optimization models that focus on physics or yield, the objective here is economic. The aim is to estimate the total cost per wafer given variations in time and cost rates across steps such as oxidation, photolithography, etching, and deposition. This reframes machine learning as a tool for business reasoning rather than scientific analysis.

The goal of this article is to demonstrate how Business ML can provide fast, scenario-ready predictions in structured process environments. It offers a way for engineers, planners, and decision-makers to simulate cost impacts without manually recalculating or maintaining large spreadsheet models. The CMOS process provides a focused example, but the methodology can be extended to any industry where costs accumulate through a sequence of measurable operations.

The CMOS Cost Modeling Problem

Wafer fabrication in CMOS semiconductor manufacturing is a highly structured, stepwise process involving repeated cycles of deposition, patterning, etching, and inspection. Each step contributes incrementally to the final product and to the total manufacturing cost. For modeling purposes, this study uses a simplified version of the CMOS flow that includes ten representative steps: Test & Inspection, Oxidation, Photolithography, Etching, Ion Implantation, Deposition, Chemical Mechanical Planarization (CMP), Annealing, Metallization, and Final Test.

Each step is modeled using two parameters:

  • ti, the time required to perform the step, in minutes
  • ci, the effective cost per minute associated with the step, which may include equipment usage, labor, power, and materials

The total wafer processing cost is modeled using the following structure:

Process Cost = c_rm + Σ(ki × ti × ci)
for i = 0 to 9

where:

  • c_rm is the raw material cost, representing the wafer or substrate being processed
  • ti and ci are the time and cost for each of the ten fabrication steps
  • ki is an optional step weight or scaling factor, set to 1.0 in this study

This formulation mirrors the approach used in other Business ML applications, such as pharmaceutical cost modeling, where c_rm represents the cost of purchased raw materials and the summation captures stepwise transformation and processing costs.

Because detailed cost data for semiconductor process steps is often proprietary, this study relies on synthetic data generation. Reasonable upper and lower bounds for time and cost were defined for each step based on open-source literature, technical papers, and process engineering judgment. Random values were sampled within these bounds to reflect natural process variation. An additional ±5% random noise term was applied to simulate real-world uncertainty.

This modeling framework is well suited for Business ML. The process is modular, the economic output is driven by well-understood operations, and the structure aligns with common business scenarios where costs are accumulated through a sequence of steps. This enables the trained model to act as a surrogate for estimating cost outcomes without requiring manual spreadsheet calculations or custom economic models.

Model Design and Training

The goal of this model is to predict the total processing cost of a CMOS wafer based on time and cost inputs from each fabrication step. To focus specifically on operational drivers, the model is trained only on the variable portion of the cost:

Process Cost = Σ(ki × ti × ci)
for i = 0 to 9

The fixed raw material cost, denoted as c_rm, is deliberately excluded from the machine learning target. While c_rm contributes to the full wafer cost, it does not depend on process dynamics, and its exclusion allows the model to learn the economic impact of process-specific variation alone.

A feedforward neural network was selected for this task, using 20 input features (Table 1):

  • Ten step durations (ti) and ten corresponding step costs (ci)
  • Each input was standardized using scikit-learn’s StandardScaler
  • The output (process cost) was also standardized before training and later inverse-transformed for evaluation

Table 1. Summary of CMOS process step descriptions, time (ti) ranges, and cost rate (ci) ranges used for synthetic data generation

StepDescriptionTime – ti (min)Cost Rate – ci ($/min)
S0Test & Inspection – Initial10 – 153.0 – 6.0
S1Oxidation90 – 1504.0 – 7.0
S2Photolithography25 – 4512.0 – 20.0
S3Etching15 – 308.0 – 14.0
SS4Ion Implantation10 – 2010.0 – 16.0
S5Deposition30 – 606.0 – 10.0
S6CMP20 – 405.0 – 9.0
S7Annealing45 – 905.0 – 8.0
S8Metallization30 – 607.0 – 12.0
S9Test & Inspection – Final10 – 253.0 – 6.0

The final model architecture consists of:

  • Two hidden layers, each with 64 neurons and ReLU activation
  • One output layer with a single linear neuron
  • Mean squared error (MSE) as the loss function
  • Adam optimizer with a learning rate of 0.001
  • Early stopping based on validation loss with a patience of 10 epochs

A visual representation of this architecture is shown below (Figure 1).

Figure 1. Architecture of the 64-64-1 neural network used to predict CMOS process cost from 20 input features. The model consists of two hidden layers with ReLU activation and a single linear output node. Standardization was applied to all features and the output using scikit-learn.

The model was trained on 5000 synthetic samples generated using uniform random sampling across step-level time and cost ranges. A ±5% random noise term was added to each sample to simulate real-world uncertainty. The dataset was split into 80% training and 20% testing, and the model achieved strong predictive performance on the test set.

A 3D scatter plot of predicted process cost versus two representative step costs (Oxidation and Photolithography) is shown in Figure 3.

Figure 2. Process cost distribution as a function of oxidation (C₁) and photolithography (C₂) step costs. Each point corresponds to a single synthetic data sample.

This design represents a simple, generalizable Business ML framework that can be extended across other process-oriented domains. The neural network acts as a surrogate function that captures cost behavior across a space of operational inputs, without requiring manual calculations, spreadsheets, or symbolic optimization. The model was implemented using TensorFlow with the Keras API and trained on a MacBook M4 CPU without GPU acceleration. All experiments were performed in a lightweight, reproducible environment, using standard Python tools such as scikit-learn for scaling and evaluation.

Results and Evaluation

The trained model was evaluated on a holdout test set comprising 1000 samples (20% of the 5000 total synthetic records). These test samples were not seen during training and serve as an unbiased estimate of model performance.

The final model architecture, a 64-64-1 feedforward neural network trained with a batch size of 32, achieved the following results:

Test Set Performance

  • R² (coefficient of determination): 0.8671
  • Mean Absolute Error (MAE): $85.69
  • Mean Squared Error (MSE): 10,371.34

These results indicate that the model explains approximately 87% of the variability in process cost and predicts values with an average absolute deviation of less than $86. Considering the total process cost ranged from approximately $2230 to $4230, this represents an error of roughly 2.7% — well within a range that is useful for decision support in production planning or cost forecasting.

Loss Curve Analysis

Training dynamics were monitored using validation loss, with early stopping applied to prevent overfitting. The model converged after 17 epochs, with validation loss reaching its minimum at epoch 7 and no further improvement thereafter. Early stopping restored the weights from this optimal point.

Figure 3. Training and validation loss curve during model training. Early stopping restored the best weights based on the lowest validation loss.

This convergence behavior confirms that the model was not overtrained and generalizes well to unseen data.

Scenario Testing

To test the model’s flexibility and real-world applicability, seven what-if scenarios were created by adjusting process step durations and cost rates. These included edge cases such as photolithography overload, implant bottlenecks, and optimized CMP/anneal conditions. The model returned consistent, interpretable cost predictions across all cases, demonstrating its ability to simulate the financial impact of changes in operational inputs.

The model outputs wafer-level process cost values that span a realistic operating range. Across 5000 synthetic samples with 5% noise, the predicted costs ranged from $2,229.98 to $4,230.61, with a mean of $3,181.06 and standard deviation of $285.75. This range serves as the reference context for interpreting the impact of scenario changes.

Figure 4 presents a comparison of seven scenarios designed to stress or improve different steps in the CMOS process. Each bar reflects the predicted process cost when modifying specific combinations of time and cost factors for one or more steps. These scenarios were evaluated using the trained neural network model.

Figure 4. Predicted process costs for seven scenario cases based on step-level time and cost modifications. The baseline reflects nominal midpoint values. Other scenarios simulate manufacturing disruptions (e.g., “Photolithography Crisis”) or optimizations (e.g., “Implant Optimization,” “Lean Operations”). Predictions were generated using the trained neural network model.

The baseline scenario uses the midpoint of each feature’s training range, scaled down to simulate a typical factory setting operating at 75% of nominal time and 85% of nominal cost. The baseline feature set is as follows:

  • Baseline step durations (ti):
    t0 to t9: [9.38, 90.00, 26.25, 16.88, 11.25, 33.75, 22.50, 39.38, 33.75, 9.38] (minutes)
  • Baseline step costs (ci):
    c0 to c9: [3.83, 4.68, 13.60, 9.35, 11.90, 6.80, 5.95, 5.53, 8.10, 3.83] ($/minute)

All seven scenarios are derived by selectively modifying one or more of these values:

  • Photolithography Crisis doubles both t2 and c2 (photolithography duration and cost).
  • Dry Etch Surge increases t3 by 50% and c3 by 150%.
  • Implant Optimization reduces both t4 and c4 by 50%.
  • Final Test Bottleneck triples t9 and increases c9 by 50%.
  • CMP & Anneal Boost reduces t6c6t7, and c7 by 40%.
  • Metallization Rework doubles t8 and increases c8 by 20%.
  • Lean Operations reduces all ti values by 15% and all ci values by 10%.

These cases were designed to test the model’s responsiveness to both localized disturbances and broad efficiency improvements. The predicted costs reflect the non-linear effects of compounding time and cost variations across multiple steps.

Conclusion

This study demonstrated how a simple feedforward neural network can be used to model the economics of CMOS wafer processing using structured time and cost inputs. By simulating realistic ranges for ten key fabrication steps and adding controlled noise to mimic real-world variability, the model was able to predict wafer processing cost with strong accuracy.

The final model, trained on just 5000 synthetic records with ±5% noise, achieved an R² of 0.8671 and an MAE of $85.69. These results reflect a high level of fidelity for a process whose total cost spans approximately $2000. The model also performed well across a range of simulated what-if scenarios, enabling economic forecasts for process changes without requiring manual recalculation or spreadsheet modeling.

More importantly, the CMOS case illustrates the broader value of Business ML. This approach generalizes to any structured process where cost accumulates over a series of steps, and where time and resource variability drive economic outcomes. Unlike static cost models, Business ML can learn from historical data and capture hidden variations in timing and resource usage that influence cost outcomes in subtle ways. These patterns, often invisible in spreadsheets, are preserved in operational data and can be exploited by ML models to deliver faster, more adaptive, and more insightful cost predictions. Business ML delivers both speed and precision, helping teams move from cost estimation to real-time cost intelligence.

Call to Action

Explore the Business ML demo and see cost prediction in action

The CMOS process cost prediction model featured in this article is now available as a live demonstration.

MLPowersAI develops custom machine learning models and deployment-ready solutions for structured, multistep manufacturing environments. This includes use cases in semiconductors, chemical production, and other industries where time, cost, and complexity converge. Our goal is to help teams harness their historical process data to forecast outcomes, optimize planning, and simulate business scenarios in real time.

In addition to semiconductor cost modeling, we apply similar Business ML frameworks across a wide range of process industries, including chemicals, pharmaceuticals, energy systems, food and beverage, and advanced materials — wherever domain data can be turned into faster, smarter economic decisions.

🔗 Visit us at MLPowersAI.com
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Bringing Historical Process Data to Life: Unlocking AI’s Goldmine with Neural Networks for Smarter Manufacturing

In every factory, industrial operation, and chemical plant, vast amounts of process data are continuously recorded. Yet most of it remains unused, buried in digital archives. What if we could bring this hidden goldmine to life and transform it into a powerful tool for process optimization, cost reduction, and predictive decision-making? AI and machine learning (ML) are revolutionizing industries by turning raw data into actionable insights. From predicting product quality in real-time to optimizing chemical reactions, AI-driven process modeling is not just the future. It is ready to be implemented today.

In this article, I will explore how historical process data can be extracted, neural networks can be trained, and AI models can be deployed to provide instant and accurate predictions. These technologies will help industries operate smarter, faster, and more efficiently than ever before.

How many years of industrial process data are sitting idle on your company’s servers? It’s time to unleash it—because, with AI, it’s a goldmine.

I personally know of billion-dollar companies that have decades of process data collecting dust. Manufacturing firms have been diligently logging process data through automated DCS (Distributed Control Systems) and PLC (Programmable Logic Controller) systems at millisecond intervals—or even smaller—since the 1980s. With advancements in chip technology, data collection has only become more efficient and cost-effective. Leading automation companies such as Siemens (Simatic PCS 7), Yokogawa (Centum VP), ABB (800xA), Honeywell (Experion), Rockwell Automation (PlantPAx), Schneider Electric (Foxboro), and Emerson (Delta V) have been at the forefront of industrial data and process automation. As a result, massive repositories of historical process data exist within organizations—untapped and underutilized.

Every manufacturing process involves inputs (raw materials and energy) and outputs (products). During processing, variables such as temperature, pressure, motor speeds, energy consumption, byproducts, and chemical properties are continuously logged. Final product metrics—such as yield and purity—are checked for quality control, generating additional data. Depending on the complexity of the process, these parameters can range from just a handful to hundreds or even thousands.

A simple analogy: consider the manufacturing of canned soup. Process variables might include ingredient weights, chunk size distribution, flavoring amounts, cooking temperature and pressure profiles, stirring speed, moisture loss, and can-filling rates. The outputs could be both numerical (batch weight, yield, calories per serving) and categorical (taste quality, consistency ratings). This pattern repeats across industries—whether in chemical plants, refineries, semiconductor manufacturing, pharmaceuticals, food processing, polymers, cosmetics, power generation, or electronics—every operation has a wealth of process data waiting to be explored.

For companies, revenue is driven by product sales. Those that consistently produce high-quality products thrive in the marketplace. Profitability improves when sales increase and when cost of goods sold (COGS) and operational inefficiencies are reduced. Process data can be leveraged to minimize product rejects, optimize yield, and enhance quality—directly impacting the bottom line.

How can AI help?

The answer is simple: AI can process vast amounts of historical data and predict product quality and performance based on input parameters—instantly and with remarkable accuracy.

A Real-Life Manufacturing Scenario

Imagine you’re the VP of Manufacturing at a pharmaceutical company that produces a critical cancer drug—a major revenue driver. You’ve been producing this drug for seven years, ensuring a steady supply to patients worldwide.

Today, a new batch has just finished production. It will take a week for quality testing before final approval. However, a power disruption occurred during the run, requiring process adjustments and minor parts replacements. The process was completed as planned, and all critical data was logged. Now, you wait. If the batch fails quality control a week later, it must be discarded, setting you back another 40 days due to production and scheduling delays.

Wouldn’t it be invaluable if you could predict, on the same day, whether the batch would pass or fail? AI can make this possible. By training machine learning models on historical process data and batch outcomes, we can build predictive systems that offer near-instantaneous quality assessments—saving time, money, and resources.

Case Study: CSTR Surrogate AI/ML Model

To illustrate this concept, let’s consider a Continuous Stirred Tank Reactor (CSTR).

The system consists of a feed stream (A) entering a reactor, where it undergoes an irreversible chemical transformation to product (B), and both the unreacted feed (A) and product (B) exit the reactor.

A \rightarrow B

The process inputs are the feed flow rate F (L/min), concentration CA_in (mol/L), and temperature T_in (K, Kelvin).

The process outputs of interest are the exit stream temperature, T_ss (K) and the concentration of unreacted (A), CA_ss (K). Knowing CA_ss is equivalent to knowing the concentration of (B), since the two are related through a straight forward mass balance.

The residence time in the CSTR is designed such that the output has reached steady state conditions. The exit flow rate is the same as the input feed flow rate, since it is a continuous and not a batch reactor.

Generating Data for AI Training

To develop an AI/ML model we would need training data. We could do many experiments and gather the data, in lieu of historical data. However, this CSTR illustration was chosen, since we can generate the output parameters through simulation. Further, this problem has an analytical steady state solution, which can be used for further accuracy comparisons. The focus of this article is not to illustrate the mathematics behind this problem, and therefore, this delegated to a brief note at the end.

When historical data has not been collated from real industrial processes, or if it is unavailable, computer simulations can be run to estimate the output variables for specified input variables. There are more than 50 industrial strength process simulation packages in the market, and some of the popular ones are – Aspen Plus / Aspen HYSYS, CHEMCAD, gPROMS, DWSIM, COMSOL Multiphysics, ANSYS Fluent, ProSim, and Simulink (MATLAB).

Depending on the complexity of the process, the simulation software can take anywhere from minutes, to hours, or even days to generate a single simulation output. When time is a constraint, AI/ML models can serve as a powerful surrogate. Their prediction speeds are orders of magnitude faster than traditional simulation. The only caveat is that the quality of the training data must be good enough to represent the real world historical data closely.

As explained in the brief note in the CSTR Mathematical Model section below, this illustration has the advantage of generating very reliable outputs, for any given set of input conditions. For developing the training set, the input variables were varied in the following ranges.

CA_in = 0.5 – 2.0 mol/L

T_in = 300 – 350 K (27 – 77 C)

F = 5 – 20 L/min

Each of the training sets have these 3 input variables. 5000 random feature sets (X) were generated using a uniform distribution, and the 3D plot shows the variations.

For training the AI/ML model 80% of these feature sets were selected at random and used, while for testing 20% were used as the test set. The corresponding output variables, Y, (CA_ss, T_ss) were numerically calculated for each off the 5000 input feature sets, and were used for the respective training and testing.

ML Neural Network Model

The ML model consisted of a Neural Network (NN) with 2 hidden layers and one output layer as follows. The first hidden layer had 64 neurons and the second one had 32 neurons. The final output layer had 2 neurons. The ReLU activation was used for the hidden layers and a linear activation for the output layer. The loss function used was mean-squared-error.

The model was trained on the training set for 20 epochs and showed rapid convergence. The loss vs epochs is presented here. The final loss was near zero (~10-6).

After training the NN model, the Test Set was run. It yielded a Test Loss of zero (rounded off to 4 decimal places) and a Test MAE (mean average error) of 0.0025. The model has performed very nicely on the Test Set.

AI/ML Model Inference

This is where AI/ML gets really exciting! I’ve packaged and deployed the neural network model on Hugging Face Spaces, using Gradio to create an interactive and web-accessible interface. Now, you can take it for a test drive—just plug in the input values, hit Submit, and watch the predictions roll in!

An actual output (screen shot) from a sample inference is shown here for input values which are within the range of the training and test sets. Both outputs (CA_ss and T_ss) are over 99% accurate.

However, this might not be all that surprising, considering the training set—comprising 4,000 feature sets (80% of 5,000)—covered a wide range of possibilities. Our result could simply be close to one of those existing data points. But what happens when we push the boundaries? My response to that would be to test a feature set where some values fall outside the training range.

For instance, in our dataset, the temperature varied between 300–350 K. What if we increase it by 10% beyond the upper limit, setting it at 385 K? Plugging this into the model, we still get an inference with over 99% accuracy! The predicted steady-state temperature (T_ss​) is 385.35 K, compared to the analytical solution of 388.88 K, yielding an accuracy of 99.09%. A screenshot of the results is shared below.

Summary

I’m convinced that AI/ML has remarkable power to predict real-world scenarios with unmatched speed and accuracy. I hope this article has convinced you too. Within every company lies a hidden treasure trove of historical process data—an untapped goldmine waiting to be leveraged. When this data is extracted, cleaned, and harnessed to train a custom ML model, it transforms from an archive of past events into a powerful tool for the future.

The potential benefits are immense: vastly improved process efficiency, enhanced product quality, smarter process optimization, reduced downtime, better scheduling and planning, elimination of guesswork, and increased profitability. Incorporating ML into industrial processes requires effort—models must be carefully designed, trained, and deployed for real-time inference. While there may be cases where a single ML model can serve multiple organizations, we are still in the early stages of AI/ML adoption in process industries, and these scalable use cases are yet to be fully explored.

Right now, the opportunity is massive. The companies that act today—dusting off their historical data, building custom AI models, and integrating ML into their operations—will set the standard and lead their industries into the future. The question is: Will your company be among them?

Read this section only if you like math and want the details!

The mass and energy balance on the CSTR yield the following equations, which give the variation of concentration for the reacting species (A) and the fluid temperature (T) as a function of time (t).

\frac{dC_A}{dt} = \frac{F}{V} (C_{A,\text{in}} - C_A) - k C_A

\frac{dT}{dt} = \frac{F}{V} (T_{\text{in}} - T) + \frac{-\Delta H}{\rho C_p} k C_A

C_A and T are the exit concentration of A and fluid temperature T . Since the residence time is long enough to reach steady state, for this irreversible reaction,

C_A = CA_ss

T = T_ss

The following model parameters have been taken to be a constant for all the simulated runs and analytical calculations. There is no requirement to have physical properties to be constant, since they could be allowed to vary with temperature. However, for this simulation they have been held constant.

V = 100 L (tank volume)

{\Delta H} = -50,000 J/mol (heat of exothermic reaction)

{\rho} = 1 Kg/L (fluid density)

C_p = 4184 J/Kg.K (fluid specific heat capacity)

The irreversible reaction for species (A) going to (B) is modeled as a first order rate equation, with the rate constant k = 0.1 min-1, and where -r_A is the reaction rate (mol/L.min).

-r_A = kC_A

I have used a mix of SI and common units. However, when taken together in the equation, the combined units work consistently.

The analytical solution is easy to calculate and can be done by setting the time derivatives to zero and solving for the concentration and temperature. These are provided here for completeness.

CA_ss = \frac{F C_{A,\text{in}} }{F + k V}

T_ss = T_in – \frac{\Delta H k C_A V}{\rho C_p F}

To simulate the training set, we can calculate CA_ss and T_ss from the above equations. I have computed CA_ss and T_ss by solving the system of ordinary differential equations using scipy.integrate.solve_ivp, which is an adaptive-step solver in SciPy. The steady state values were taken as the dependent variable values after a lapse time of 50 minutes. These values would vary slightly from analytical values. But, they provide small variations, just like in real processes due to inherent fluctuations.