GraphPad Prism 10 Curve Fitting Guide (2024)

ROC curves in logistic regression are used for determining the best cutoff value for predicting whether a new observation is a "failure" (0) or a "success" (1). If you're not familiar with ROC curves, they can take some effort to understand. An example of an ROC curve from logistic regression is shown below.

GraphPad Prism 10 Curve Fitting Guide (1)

First, let’s cover what a classification cutoff is actually doing. When you choose a classification cutoff (let’s say you choose 0.5), you’re saying that you would like to classify every observation with a predicted probability from the model equal to or greater than 0.5 as a “success”. Note that you will classify observations meeting this criteria as a success regardless if that outcome was actually observed to be a success. Confused? Don’t worry, it’s less complicated than it sounds. Your observed outcome in logistic regression can ONLY be 0 or 1. The predicted probabilities from the model can take on all possible values between 0 and 1. So, for a given observation, the predicted probability from the model may have been 0.51 (51% probability of success), but your observation was actually a 0 (not a success). We’ll discuss the importance of correctly or incorrectly classifying your observations in a minute. For now, let’s focus back on the ROC curve.

Each dot on the curve represents a different possible cutoff value for classifying predicted values. You could feasibly pick any value between 0 and 1 as the cutoff, but doing this manually for every possible meaningful cutoff value would be exhausting. So what an ROC curve does is looks at every possible cutoff value that results in a change of classification of any observation in your data set (if stepping the classification cutoff up from 0.5 to 0.6 doesn’t result in a change in how the observations are classified, well then it’s not an interesting step to consider). For every classification cutoff that results in a change of classification, a dot is placed on the plot. But where does that dot go? To answer that, let’s go back to the outcome of classifications to understand a bit more about what classification is doing and the classification table.

Whatever cutoff you choose, a certain number of the rows of data will be correctly classified (you predicted the correct value for that row), and a certain number will be misclassified. Sensitivity and specificity are two metrics for evaluating the proportion of true positives and true negatives, respectively. In other words, sensitivity is the proportion of 1s that you correctly identified as 1s using that particular cutoff value, or the true positive rate. Conversely, specificity is the proportion of 0s that you correctly identified as 0s, or the true negative rate.

Mathematically these are represented as:

Sensitivity = (number correctly identified 1s)/(total number observed 1s)

Specificity = (number correctly identified 0s)/(total number observed 0s)

Given this information, we can put everything together to understand ROC curves. First, we identify the axes of an ROC curve: the Y axis is just sensitivity (or true positive rate), while the X axis is 1-specificity. Although it takes a little extra math (and brainpower) to prove, it can be shown that 1-specificity is equivalent to the false positive rate.

For every point on the ROC curve (representing a different cutoff value), the location of that point is plotted as the sensitivity at that cutoff value on the Y axis, and 1 – specificity at that cutoff value on the X axis. As such, the ROC curve shows graphically the tradeoff that occurs between trying to maximize the true positive rate vs. trying to minimize the false positive rate. In an ideal situation, you would have sensitivity and specificity near 100% at all cutoffs, meaning you predict perfectly in all cases. If you have that, you don't need statistics, because your "success" and "failures" are very easy to tell apart. In fact, with logistic regression, it wouldn’t even be possible to fit this model.

Best-case ROC curve

A best-case ROC would look like a 90 degree angle. If you have this curve, then you probably don't need statistics, since it is trivial to discriminate between the 0s and 1s. Note that at every point, either sensitivity or specificity are at 100% (meaning 1-specificity is at 0%). In fact, this curve shows that there is a cutoff for which both sensitivity and specificity are at 100%. Another way to state this is that there are no false positives and no false negatives. The AUC of this ROC curve is 1.

GraphPad Prism 10 Curve Fitting Guide (2)

ROC curve with no predictive power:

Alternatively, the worst possible ROC curve (in Prism) predicts no better than by chance, which shows up in an ROC curve as a straight line at 45 degrees. The fit model predicts outcome no better than flipping a coin. Another way to think about this is that the only way to increase the true positive rate (sensitivity) is to also increase the false positive rate (1 – specificity) by the same amount: not a great method at all. The AUC of this ROC curve is 0.5.

GraphPad Prism 10 Curve Fitting Guide (3)

Worst-case ROC curve:

Note that there is an additional situation in which a model could (in theory) perform worse than random chance. Recall that the ROC curve plots the sensitivity and specificity of a model, and that both of these values are based on the classification of subjects. You could probably imagine a model in which “successes” (or 1s) were more commonly predicted to be “failures” (or 0s) than what would be expected by random chance. In this case, the model would still be able to identify different groups of outcomes, but would classify them incorrectly (1s would be classified as 0s and vice versa). In the most extreme case, a model could perfectly predict all of your observed 1s to be 0s, and all of your observed 0s to be 1s. In contrast to the “best-case ROC curve”, the graph below shows that for every cutoff value, either sensitivity or specificity (or both) are at 0%. The AUC of this ROC curve is 0!

GraphPad Prism 10 Curve Fitting Guide (4)

Area Under the ROC curve

The Area Under the ROC curve (AUC) is an aggregated metric that evaluates how well a logistic regression model classifies positive and negative outcomes at all possible cutoffs. It can range from 0.5 to 1, and the larger it is the better. People will sometimes use the AUC as a means for evaluating predictive performance of a model, although because it represents all possible cutoff values, which isn’t feasible in practice, the interpretation is difficult. We recommend interpreting the ROC curve directly as a way to choose a cutoff value.

Choosing a cutoff value

In reality, you will only be able to pick one cutoff value for your model. How do you determine which cutoff to use? It depends on your specific scenario. If false negatives are worse than false positives, then choose a cutoff with high sensitivity (a value higher on the Y axis ofthe ROC graph). Alternatively, if false positives are worse, then pick a cutoff with high specificity (values to the left in the ROC graph).

© 1995-2019 GraphPad Software, LLC. All rights reserved.

GraphPad Prism 10 Curve Fitting Guide (2024)

FAQs

How to do curve fitting in graphpad? ›

Create an XY table, and enter data. If you have replicate Y values at each X value, format the table for entry of replicates. From an XY table or graph, click the shortcut button to fit a model with nonlinear regression. Or click Analyze and select from the analyze dialog.

How do I know what curve fits best? ›

The best fitting curve minimizes the sum of the squares of the differences between the measured and predicted values. In Excel we 'Add a Trendline' to a scatterplot to find a best fitting curve.

What is the best method of curve fitting? ›

There are many proposed algorithms for curve fitting. The most well-known method is least squares, where we search for a curve such that the sum of squares of the residuals is minimum. By saying residual, we refer to the difference between the observed sample and the estimation from the fitted curve.

What is the formula for curve fitting? ›

The fit equation Y = A + B * X is inverted to give X = (Y - A) / B and this inverted equation is used to compute the exact X value for the given Y value. You can specify any Y value inside or outside of the range covered by the data set or the fit line to compute the corresponding X value.

How do you use a curve fitting tool? ›

Interactive Curve Fitting

Open the Curve Fitter app. In the Curve Fitter app, on the Curve Fitter tab, in the Data section, click Select Data. In the Select Fitting Data dialog box, select temp as the X data value and thermex as the Y data value. The Curve Fitter app creates a default polynomial fit to the data.

How do you fit a curve to data? ›

The most common way to fit curves to the data using linear regression is to include polynomial terms, such as squared or cubed predictors. Typically, you choose the model order by the number of bends you need in your line. Each increase in the exponent produces one more bend in the curved fitted line.

How to find the curve of best fit manually? ›

o Graph the coordinates on a scatterplot. o Draw a line going through the approximate center of the data. o Find two coordinates on the line (they don't have to be points you plotted) o Use the two coordinates to find the slope o Substitute the slope and one coordinate into y=mx+b form to find the y-intercept. o ...

What is the difference between interpolation and fitting? ›

The interpolating function typically passes through the original data set. With curve fitting we simply want a func- tion that is a good fit (typically a best fit in some sense) to the original data points.

What are the two general approaches for curve fitting? ›

There are two general approaches to curve fitting. The first is to derive a single curve that represents the general trend of the data. One method of this nature is the least-squares regression. The second approach is interpolation which is a more precise one.

What is the difference between regression and curve fitting? ›

In short, curve fitting is a set of techniques used to fit a curve to data points while regression is a method for statistical inference. Curve fitting encompasses methods used in regression, and regression is not necessarily fitting a curve.

What is the math behind curve fitting? ›

Curve fitting is a mathematical method/process of estimating the parameter values of the model curve that describes best the given data points. The least squares method estimates the model parameter values by minimizing the sum of the squared errors between the model and the given data.

How do I find the best curve fit? ›

Curve of Best Fit: a curve the best approximates the trend on a scatter plot. If the data appears to be quadratic, we perform a quadratic regression to get the equation for the curve of best fit. If it appears to be cubic, then we perform a cubic regression.

What is the best fitting formula? ›

The line of best fit formula is y = mx + b. Finding the line of best fit formula can be done using the point slope method. Take two points, usually the beginning point and the last point given, and find the slope and y intercept.

What is the formula for curve measurement? ›

How Do You Measure Curvature of a path? The curvature(K) of a path is measured using the radius of the curvature of the path at the given point. If y = f(x) is a curve at a particular point, then the formula for curvature is given as K = 1/R.

How to plot a curve in a prism? ›

1. Start from any data table or graph, click Analyze, open the Generate Curve folder, and then select Plot a function. 2. On the first tab (Function), choose the equation, the starting and ending values of X, and the number of curves you want to plot.

How do you find the curved line of best fit? ›

If it looks like they approximate to a straight line, use linear regression to find the line of best fit. If it looks like they follow an exponential curve, take logarithms of the y coordinates, replot and apply linear regression to the log values.

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