Interpretable Generalized Additive Models for Datasets with Missing Values

Many important datasets contain samples that are missing one or more feature values. Maintaining the interpretability of machine learning models in the presence of such missing data is challenging. Singly or multiply imputing missing values complicates the model's mapping from features to labels. On the other hand, reasoning on indicator variables that represent missingness introduces a potentially large number of additional terms, sacrificing sparsity. We solve these problems with M-GAM, a sparse, generalized, additive modeling approach that incorporates missingness indicators and their interaction terms while maintaining sparsity through l0 regularization. We show that M-GAM provides similar or superior accuracy to prior methods while significantly improving sparsity relative to either imputation or naive inclusion of indicator variables.

Navigating the Effect of Parametrization for Dimensionality Reduction

Parametric dimensionality reduction methods have gained prominence for their ability to generalize to unseen datasets, an advantage that traditional approaches typically lack. Despite their growing popularity, there remains a prevalent misconception among practitioners about the equivalence in performance between parametric and non-parametric methods. Here, we show that these methods are not equivalent -- parametric methods retain global structure but lose significant local details. To explain this, we provide evidence that parameterized approaches lack the ability to repulse negative pairs, and the choice of loss function also has an impact. Addressing these issues, we developed a new parametric method, ParamRepulsor, that incorporates Hard Negative Mining and a loss function that applies a strong repulsive force. This new method achieves state-of-the-art performance on local structure preservation for parametric methods without sacrificing the fidelity of global structural representation. Our code is available at https://github.com/hyhuang00/ParamRepulsor.

Improving Decision Sparsity

Sparsity is a central aspect of interpretability in machine learning. Typically, sparsity is measured in terms of the size of a model globally, such as the number of variables it uses. However, this notion of sparsity is not particularly relevant for decision-making; someone subjected to a decision does not care about variables that do not contribute to the decision. In this work, we dramatically expand a notion of decision sparsity called the Sparse Explanation Value(SEV) so that its explanations are more meaningful. SEV considers movement along a hypercube towards a reference point. By allowing flexibility in that reference and by considering how distances along the hypercube translate to distances in feature space, we can derive sparser and more meaningful explanations for various types of function classes. We present cluster-based SEV and its variant tree-based SEV, introduce a method that improves credibility of explanations, and propose algorithms that optimize decision sparsity in machine learning models.

FastSurvival: Hidden Computational Blessings in Training Cox Proportional Hazards Models

Survival analysis is an important research topic with applications in healthcare, business, and manufacturing. One essential tool in this area is the Cox proportional hazards (CPH) model, which is widely used for its interpretability, flexibility, and predictive performance. However, for modern data science challenges such as high dimensionality (both $n$ and $p$) and high feature correlations, current algorithms to train the CPH model have drawbacks, preventing us from using the CPH model at its full potential. The root cause is that the current algorithms, based on the Newton method, have trouble converging due to vanishing second order derivatives when outside the local region of the minimizer. To circumvent this problem, we propose new optimization methods by constructing and minimizing surrogate functions that exploit hidden mathematical structures of the CPH model. Our new methods are easy to implement and ensure monotonic loss decrease and global convergence. Empirically, we verify the computational efficiency of our methods. As a direct application, we show how our optimization methods can be used to solve the cardinality-constrained CPH problem, producing very sparse high-quality models that were not previously practical to construct. We list several extensions that our breakthrough enables, including optimization opportunities, theoretical questions on CPH's mathematical structure, as well as other CPH-related applications.

Phononic materials with effectively scale-separated hierarchical features using interpretable machine learning

Manipulating the dispersive characteristics of vibrational waves is beneficial for many applications, e.g., high-precision instruments. architected hierarchical phononic materials have sparked promise tunability of elastodynamic waves and vibrations over multiple frequency ranges. In this article, hierarchical unit-cells are obtained, where features at each length scale result in a band gap within a targeted frequency range. Our novel approach, the ``hierarchical unit-cell template method,'' is an interpretable machine-learning approach that uncovers global unit-cell shape/topology patterns corresponding to predefined band-gap objectives. A scale-separation effect is observed where the coarse-scale band-gap objective is mostly unaffected by the fine-scale features despite the closeness of their length scales, thus enabling an efficient hierarchical algorithm. Moreover, the hierarchical patterns revealed are not predefined or self-similar hierarchies as common in current hierarchical phononic materials. Thus, our approach offers a flexible and efficient method for the exploration of new regions in the hierarchical design space, extracting minimal effective patterns for inverse design in applications targeting multiple frequency ranges.

A New Dataset, Notation Software, and Representation for Computational Schenkerian Analysis

Schenkerian Analysis (SchA) is a uniquely expressive method of music analysis, combining elements of melody, harmony, counterpoint, and form to describe the hierarchical structure supporting a work of music. However, despite its powerful analytical utility and potential to improve music understanding and generation, SchA has rarely been utilized by the computer music community. This is in large part due to the paucity of available high-quality data in a computer-readable format. With a larger corpus of Schenkerian data, it may be possible to infuse machine learning models with a deeper understanding of musical structure, thus leading to more "human" results. To encourage further research in Schenkerian analysis and its potential benefits for music informatics and generation, this paper presents three main contributions: 1) a new and growing dataset of SchAs, the largest in human- and computer-readable formats to date (>140 excerpts), 2) a novel software for visualization and collection of SchA data, and 3) a novel, flexible representation of SchA as a heterogeneous-edge graph data structure.

Amazing Things Come From Having Many Good Models

The Rashomon Effect, coined by Leo Breiman, describes the phenomenon that there exist many equally good predictive models for the same dataset. This phenomenon happens for many real datasets and when it does, it sparks both magic and consternation, but mostly magic. In light of the Rashomon Effect, this perspective piece proposes reshaping the way we think about machine learning, particularly for tabular data problems in the nondeterministic (noisy) setting. We address how the Rashomon Effect impacts (1) the existence of simple-yet-accurate models, (2) flexibility to address user preferences, such as fairness and monotonicity, without losing performance, (3) uncertainty in predictions, fairness, and explanations, (4) reliable variable importance, (5) algorithm choice, specifically, providing advanced knowledge of which algorithms might be suitable for a given problem, and (6) public policy. We also discuss a theory of when the Rashomon Effect occurs and why. Our goal is to illustrate how the Rashomon Effect can have a massive impact on the use of machine learning for complex problems in society.

This Looks Better than That: Better Interpretable Models with ProtoPNeXt

Prototypical-part models are a popular interpretable alternative to black-box deep learning models for computer vision. However, they are difficult to train, with high sensitivity to hyperparameter tuning, inhibiting their application to new datasets and our understanding of which methods truly improve their performance. To facilitate the careful study of prototypical-part networks (ProtoPNets), we create a new framework for integrating components of prototypical-part models -- ProtoPNeXt. Using ProtoPNeXt, we show that applying Bayesian hyperparameter tuning and an angular prototype similarity metric to the original ProtoPNet is sufficient to produce new state-of-the-art accuracy for prototypical-part models on CUB-200 across multiple backbones. We further deploy this framework to jointly optimize for accuracy and prototype interpretability as measured by metrics included in ProtoPNeXt. Using the same resources, this produces models with substantially superior semantics and changes in accuracy between +1.3% and -1.5%. The code and trained models will be made publicly available upon publication.

FPN-IAIA-BL: A Multi-Scale Interpretable Deep Learning Model for Classification of Mass Margins in Digital Mammography

Digital mammography is essential to breast cancer detection, and deep learning offers promising tools for faster and more accurate mammogram analysis. In radiology and other high-stakes environments, uninterpretable ("black box") deep learning models are unsuitable and there is a call in these fields to make interpretable models. Recent work in interpretable computer vision provides transparency to these formerly black boxes by utilizing prototypes for case-based explanations, achieving high accuracy in applications including mammography. However, these models struggle with precise feature localization, reasoning on large portions of an image when only a small part is relevant. This paper addresses this gap by proposing a novel multi-scale interpretable deep learning model for mammographic mass margin classification. Our contribution not only offers an interpretable model with reasoning aligned with radiologist practices, but also provides a general architecture for computer vision with user-configurable prototypes from coarse- to fine-grained prototypes.

SiamQuality: A ConvNet-Based Foundation Model for Imperfect Physiological Signals

Foundation models, especially those using transformers as backbones, have gained significant popularity, particularly in language and language-vision tasks. However, large foundation models are typically trained on high-quality data, which poses a significant challenge, given the prevalence of poor-quality real-world data. This challenge is more pronounced for developing foundation models for physiological data; such data are often noisy, incomplete, or inconsistent. The present work aims to provide a toolset for developing foundation models on physiological data. We leverage a large dataset of photoplethysmography (PPG) signals from hospitalized intensive care patients. For this data, we propose SimQuality, a novel self-supervised learning task based on convolutional neural networks (CNNs) as the backbone to enforce representations to be similar for good and poor quality signals that are from similar physiological states. We pre-trained the SimQuality on over 36 million 30-second PPG pairs and then fine-tuned and tested on six downstream tasks using external datasets. The results demonstrate the superiority of the proposed approach on all the downstream tasks, which are extremely important for heart monitoring on wearable devices. Our method indicates that CNNs can be an effective backbone for foundation models that are robust to training data quality.