Interpretable machine learning models for predicting with missing values

Machine learning models are often used in situations where model inputs are missing either during training or at the time of prediction. If missing values are not handled appropriately, they can lead to increased bias or to models that are not applicable in practice without imputing the values of the unobserved variables. However, the imputation of missing values is often inadequate and difficult to interpret for complex imputation functions. In this thesis, we focus on predictions in the presence of incomplete data at test time, using interpretable models that allow humans to understand the predictions. Interpretability is especially necessary when important decisions are at stake, such as in healthcare. First, we investigate, the situation where variables are missing in recurrent patterns and sample sizes are small per pattern. We propose SPSM that allows coefficient sharing between a main model and pattern submodels in order to make efficient use of data and to be independent on imputation. To enable interpretability, the model can be expressed as a short description introduced by sparsity. Then, we explore situations where missingness does not occur in patterns and suggest the sparse linear rule model MINTY that naturally trades off between interpretability and the goodness of fit while being sensitive to missing values at test time. To this end, we learn replacement variables, indicating which features in a rule can be alternatively used when the original feature was not measured, assuming some redundancy in the covariates. Our results have shown that the proposed interpretable models can be used for prediction with missing values, without depending on imputation. We conclude that more work can be done in evaluating interpretable machine learning models in the context of missing values at test time

Predicting progression and cognitive decline in amyloid-positive patients with Alzheimer’s disease

Background: In Alzheimer’s disease, amyloid- β (A β) peptides aggregate in the lowering CSF amyloid levels - a key pathological hallmark of the disease. However, lowered CSF amyloid levels may also be present in cognitively unimpaired elderly individuals. Therefore, it is of great value to explain the variance in disease progression among patients with A β pathology. Methods: A cohort of n=2293 participants, of whom n=749 were A β positive, was selected from the Alzheimer’s Disease Neuroimaging Initiative (ADNI) database to study heterogeneity in disease progression for individuals with A β pathology. The analysis used baseline clinical variables including demographics, genetic markers, and neuropsychological data to predict how the cognitive ability and AD diagnosis of subjects progressed using statistical models and machine learning. Due to the relatively low prevalence of A β pathology, models fit only to A β-positive subjects were compared to models fit to an extended cohort including subjects without established A β pathology, adjusting for covariate differences between the cohorts. Results: A β pathology status was determined based on the A β42/A β40 ratio. The best predictive model of change in cognitive test scores for A β-positive subjects at the 2-year follow-up achieved an R2 score of 0.388 while the best model predicting adverse changes in diagnosis achieved a weighted F1 score of 0.791. A β-positive subjects declined faster on average than those without A β pathology, but the specific level of CSF A β was not predictive of progression rate. When predicting cognitive score change 4 years after baseline, the best model achieved an R2 score of 0.325 and it was found that fitting models to the extended cohort improved performance. Moreover, using all clinical variables outperformed the best model based only on a suite of cognitive test scores which achieved an R2 score of 0.228. Conclusion: Our analysis shows that CSF levels of A β are not strong predictors of the rate of cognitive decline in A β-positive subjects when adjusting for other variables. Baseline assessments of cognitive function accounts for the majority of variance explained in the prediction of 2-year decline but is insufficient for achieving optimal results in longer-term predictions. Predicting changes both in cognitive test scores and in diagnosis provides multiple perspectives of the progression of potential AD subjects

Sharing pattern submodels for prediction with missing values

Missing values are unavoidable in many applications of machine learning and present challenges both during training and at test time. When variables are missing in recurring patterns, fitting separate pattern submodels have been proposed as a solution. However, fitting models independently does not make efficient use of all available data. Conversely, fitting a single shared model to the full data set relies on imputation which often leads to biased results when missingness depends on unobserved factors. We propose an alternative approach, called sharing pattern submodels, which i) makes predictions that are robust to missing values at test time, ii) maintains or improves the predictive power of pattern submodels, and iii) has a short description, enabling improved interpretability. Parameter sharing is enforced through sparsity-inducing regularization which we prove leads to consistent estimation. Finally, we give conditions for when a sharing model is optimal, even when both missingness and the target outcome depend on unobserved variables. Classification and regression experiments on synthetic and real-world data sets demonstrate that our models achieve a favorable tradeoff between pattern specialization and information sharing

Thermoplastic polyester elastomers based on long-chain crystallizable aliphatic hard segments

A plant-oil derived long-chain (C23) α,ω-dicarboxylic acid and the corresponding diol provide entirely aliphatic hard segments in segmented thermoplastic polyester elastomers, with poly(tetramethylene glycol) (PTMG) or carbohydrate-based poly(trimethylene glycol) (PPDO) soft segments. Physical crosslinking is provided by their polyethylene-like crystallinity. Compared to materials derived from mid-chain (C12) analogs, thermal properties are significantly enhanced, with melting points up to 96 °C. These novel materials feature high ductility values in combination with a good elastomeric behavior.publishe