Model selection, part 2
AIC: Understanding the Akaike Information Criterion
Introduction to AIC
- The Akaike Information Criterion (AIC) is introduced as a method based on information theory, differing from classical statistics that rely on p-values.
- AIC aligns more closely with Bayesian statistics, focusing on modal probabilities in data analysis.
Probabilistic Models and Their Importance
- Probabilistic models allow for the computation of probabilities for various outcomes; for example, determining the likelihood of getting a certain number of hits when tossing a coin multiple times.
- In phylogenetics, having a probabilistic model enables the calculation of probabilities for different alignments based on specific parameters.
Kullback-Leibler Divergence
- The Kullback-Leibler divergence measures the distance between probability distributions, providing insight into how well one distribution approximates another.
- For discrete probability distributions, this measure involves comparing probabilities across all possible values in a dataset.
Model Selection Using AIC
- To find an effective model that approximates reality, one should minimize the Kullback-Leibler divergence from the true probability distribution.
- A visual representation illustrates three models attempting to approximate reality; among them, Q2 has the smallest divergence and is thus preferred.
Calculating AIC
- AIC estimates expected relative Kullback-Leibler distances between models and reality. It cannot provide absolute distances due to unknown true realities but offers comparative insights.
- The formula for calculating AIC is straightforward: it combines the likelihood of a fitted model with its number of free parameters. Smaller AIC values indicate better models.
Practical Application of AIC
- When applying AIC in practice, one fits multiple alternative models to data without requiring nested structures or limits on quantity.
Understanding AIC and Model Selection
Introduction to AIC
- The Akaike Information Criterion (AIC) is calculated as the log-likelihood plus two times the number of free parameters, allowing for model comparison based on AIC values.
- The smallest AIC values indicate the best models; in this case, the CVM + I + G model was identified as superior among those tested.
Delta AIC and Model Probabilities
- To enhance model selection, one can compute Delta AIC values by subtracting the minimal AIC value from each model's AIC value.
- For example, if the minimal AIC is at the top of a table, its Delta AIC will be 0; subsequent models will have positive Delta values reflecting their relative fit.
Calculating Akaike Weights
- After computing Delta AIC values, Akaike weights are derived using an exponential function applied to -0.5 times each Delta value.
- These weights represent probabilities that any given model is the best one based on available data; for instance, a 45% chance for one model being optimal.
Bayesian Connection and Scientific Inquiry
- This probabilistic approach aligns with Bayesian inference principles where uncertainty quantification is crucial in scientific reasoning.
- Using probabilities allows researchers to assess multiple hypotheses simultaneously rather than relying solely on null hypothesis testing.
Practical Applications of Model Selection
- Constructing a comprehensive set of plausible alternative models enables effective evidence assessment through computed model probabilities.
- This method differs significantly from traditional null hypothesis testing by evaluating various plausible models instead of just one.
Multi-modal Inference and Parameter Importance
Making Robust Predictions
- Multi-modal inference allows predictions to be made more robustly by averaging predictions across different models weighted by their respective probabilities.
Estimating Parameters Across Models
- When parameters appear in multiple investigated models (e.g., gamma shape parameter), averaging these estimates enhances reliability using model probabilities as weights.
Assessing Parameter Importance
- By summing up probabilities from models containing specific parameters (like transitions), researchers can determine their relative importance within a system under study.
Case Study: Comparing Evolutionary Models
Hypotheses Overview
- Considering two hypotheses regarding sequence evolution:
- Jukes-Cantor model with uniform substitution rates (one free parameter).
- Kimura two-parameter model with distinct rates for transitions and transversions (two free parameters).
Model Comparison and AIC Calculation
Log Likelihood Values of Models
- The Jukes-Cantor model has a log likelihood of -2034.3, indicating that probabilities are always between 0 and 1, resulting in negative logarithm values.
- The Kimura 2-parameter (K2P) model shows a slightly larger log likelihood of -2026.2, suggesting it fits the data better than the Jukes-Cantor model.
AIC Calculation for Model Assessment
- To assess models, we compute the Akaike Information Criterion (AIC), using the formula: AIC = -2 * log likelihood + 2 * number of parameters.
- For Jukes-Cantor, AIC is calculated as -2 * (-2034.3) + 2 * 1 = 4050.6; for K2P, it is -2 * (-2026.2) + 2 * 2 = 4056.4.
Delta AIC and Model Probabilities
- Delta AIC is computed by subtracting the smallest AIC from each model's AIC; K2P has a Delta value of 0 while Jukes-Cantor has a Delta value of approximately 14.
- The exponential function of -0.5 times Delta AIC gives probabilities: for Jukes-Cantor it's approximately 0.0000825; for K2P it's e^0 = 1.
Final Model Probability Calculations
- Total probability sums to about 1.0000825; dividing individual probabilities by this sum yields results: Jukes-Cantor at ~0.08% and K2P at ~99.92%.