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William La Cava

Publications and source records attributed to William La Cava.

At least 19 recordsLinked to original sources
arXiv2026

Beyond Explainable AI (XAI): An Overdue Paradigm Shift and Post-XAI Research Directions

This study provides a cross-disciplinary examination of Explainable Artificial Intelligence (XAI) approaches-focusing on deep neural networks (DNNs) and large language models (LLMs)-and identifies empirical and conceptual limitations in current XAI. We discuss critical symptoms that stem from deeper root causes (i.e., two paradoxes, two conceptual confusions, and five false assumptions). These fundamental problems within the current XAI research field reveal three insights: experimentally, XAI exhibits significant flaws; conceptually, it is paradoxical; and pragmatically, further attempts to reform the paradoxical XAI might exacerbate its confusion-demanding fundamental shifts and new research directions. To move beyond XAI's limitations, we propose a four-pronged synthesized paradigm shift toward reliable and certified AI development. These four components include: verification-focused Interactive AI (IAI) to establish scientific community protocols for certifying AI system performance rather than attempting post-hoc explanations, AI Epistemology for rigorous scientific foundations, User-Sensible AI to create context-aware systems tailored to specific user communities, and Model-Centered Interpretability for faithful technical analysis-together offering comprehensive post-XAI research directions.

cs.CY↗
arXiv2025

Towards Integrated Alignment

As AI adoption expands across human society, the problem of aligning AI models to match human preferences remains a grand challenge. Currently, the AI alignment field is deeply divided between behavioral and representational approaches, resulting in narrowly aligned models that are more vulnerable to increasingly deceptive misalignment threats. In the face of this fragmentation, we propose an integrated vision for the future of the field. Drawing on related lessons from immunology and cybersecurity, we lay out a set of design principles for the development of Integrated Alignment frameworks that combine the complementary strengths of diverse alignment approaches through deep integration and adaptive coevolution. We highlight the importance of strategic diversity - deploying orthogonal alignment and misalignment detection approaches to avoid homogeneous pipelines that may be "doomed to success". We also recommend steps for greater unification of the AI alignment research field itself, through cross-collaboration, open model weights and shared community resources.

cs.CY↗
arXiv2023

Fair admission risk prediction with proportional multicalibration

Fair calibration is a widely desirable fairness criteria in risk prediction contexts. One way to measure and achieve fair calibration is with multicalibration. Multicalibration constrains calibration error among flexibly-defined subpopulations while maintaining overall calibration. However, multicalibrated models can exhibit a higher percent calibration error among groups with lower base rates than groups with higher base rates. As a result, it is possible for a decision-maker to learn to trust or distrust model predictions for specific groups. To alleviate this, we propose \emph{proportional multicalibration}, a criteria that constrains the percent calibration error among groups and within prediction bins. We prove that satisfying proportional multicalibration bounds a model's multicalibration as well its \emph{differential calibration}, a fairness criteria that directly measures how closely a model approximates sufficiency. Therefore, proportionally calibrated models limit the ability of decision makers to distinguish between model performance on different patient groups, which may make the models more trustworthy in practice. We provide an efficient algorithm for post-processing risk prediction models for proportional multicalibration and evaluate it empirically. We conduct simulation studies and investigate a real-world application of PMC-postprocessing to prediction of emergency department patient admissions. We observe that proportional multicalibration is a promising criteria for controlling simultaneous measures of calibration fairness of a model over intersectional groups with virtually no cost in terms of classification performance.

cs.LG↗
arXiv2022

Population Diversity Leads to Short Running Times of Lexicase Selection

In this paper we investigate why the running time of lexicase parent selection is empirically much lower than its worst-case bound of O(N*C). We define a measure of population diversity and prove that high diversity leads to low running times O(N + C) of lexicase selection. We then show empirically that genetic programming populations evolved under lexicase selection are diverse for several program synthesis problems, and explore the resulting differences in running time bounds.

cs.NE↗
arXiv2021

Contemporary Symbolic Regression Methods and their Relative Performance

Many promising approaches to symbolic regression have been presented in recent years, yet progress in the field continues to suffer from a lack of uniform, robust, and transparent benchmarking standards. In this paper, we address this shortcoming by introducing an open-source, reproducible benchmarking platform for symbolic regression. We assess 14 symbolic regression methods and 7 machine learning methods on a set of 252 diverse regression problems. Our assessment includes both real-world datasets with no known model form as well as ground-truth benchmark problems, including physics equations and systems of ordinary differential equations. For the real-world datasets, we benchmark the ability of each method to learn models with low error and low complexity relative to state-of-the-art machine learning methods. For the synthetic problems, we assess each method's ability to find exact solutions in the presence of varying levels of noise. Under these controlled experiments, we conclude that the best performing methods for real-world regression combine genetic algorithms with parameter estimation and/or semantic search drivers. When tasked with recovering exact equations in the presence of noise, we find that deep learning and genetic algorithm-based approaches perform similarly. We provide a detailed guide to reproducing this experiment and contributing new methods, and encourage other researchers to collaborate with us on a common and living symbolic regression benchmark.

cs.NE↗
arXiv2021

PMLB v1.0: An open source dataset collection for benchmarking machine learning methods

Motivation: Novel machine learning and statistical modeling studies rely on standardized comparisons to existing methods using well-studied benchmark datasets. Few tools exist that provide rapid access to many of these datasets through a standardized, user-friendly interface that integrates well with popular data science workflows. Results: This release of PMLB provides the largest collection of diverse, public benchmark datasets for evaluating new machine learning and data science methods aggregated in one location. v1.0 introduces a number of critical improvements developed following discussions with the open-source community. Availability: PMLB is available at https://github.com/EpistasisLab/pmlb. Python and R interfaces for PMLB can be installed through the Python Package Index and Comprehensive R Archive Network, respectively.

cs.LG↗
arXiv2020

Benchmarking in Optimization: Best Practice and Open Issues

This survey compiles ideas and recommendations from more than a dozen researchers with different backgrounds and from different institutes around the world. Promoting best practice in benchmarking is its main goal. The article discusses eight essential topics in benchmarking: clearly stated goals, well-specified problems, suitable algorithms, adequate performance measures, thoughtful analysis, effective and efficient designs, comprehensible presentations, and guaranteed reproducibility. The final goal is to provide well-accepted guidelines (rules) that might be useful for authors and reviewers. As benchmarking in optimization is an active and evolving field of research this manuscript is meant to co-evolve over time by means of periodic updates.

cs.NE↗
arXiv2020

Evaluating recommender systems for AI-driven biomedical informatics

Motivation: Many researchers with domain expertise are unable to easily apply machine learning to their bioinformatics data due to a lack of machine learning and/or coding expertise. Methods that have been proposed thus far to automate machine learning mostly require programming experience as well as expert knowledge to tune and apply the algorithms correctly. Here, we study a method of automating biomedical data science using a web-based platform that uses AI to recommend model choices and conduct experiments. We have two goals in mind: first, to make it easy to construct sophisticated models of biomedical processes; and second, to provide a fully automated AI agent that can choose and conduct promising experiments for the user, based on the user's experiments as well as prior knowledge. To validate this framework, we experiment with hundreds of classification problems, comparing to state-of-the-art, automated approaches. Finally, we use this tool to develop predictive models of septic shock in critical care patients. Results: We find that matrix factorization-based recommendation systems outperform meta-learning methods for automating machine learning. This result mirrors the results of earlier recommender systems research in other domains. The proposed AI is competitive with state-of-the-art automated machine learning methods in terms of choosing optimal algorithm configurations for datasets. In our application to prediction of septic shock, the AI-driven analysis produces a competent machine learning model (AUROC 0.85 +/- 0.02) that performs on par with state-of-the-art deep learning results for this task, with much less computational effort.

cs.LG↗
arXiv2020

Genetic programming approaches to learning fair classifiers

Society has come to rely on algorithms like classifiers for important decision making, giving rise to the need for ethical guarantees such as fairness. Fairness is typically defined by asking that some statistic of a classifier be approximately equal over protected groups within a population. In this paper, current approaches to fairness are discussed and used to motivate algorithmic proposals that incorporate fairness into genetic programming for classification. We propose two ideas. The first is to incorporate a fairness objective into multi-objective optimization. The second is to adapt lexicase selection to define cases dynamically over intersections of protected groups. We describe why lexicase selection is well suited to pressure models to perform well across the potentially infinitely many subgroups over which fairness is desired. We use a recent genetic programming approach to construct models on four datasets for which fairness constraints are necessary, and empirically compare performance to prior methods utilizing game-theoretic solutions. Methods are assessed based on their ability to generate trade-offs of subgroup fairness and accuracy that are Pareto optimal. The result show that genetic programming methods in general, and random search in particular, are well suited to this task.

cs.NE↗
arXiv2019

Epsilon-Lexicase Selection for Regression

Lexicase selection is a parent selection method that considers test cases separately, rather than in aggregate, when performing parent selection. It performs well in discrete error spaces but not on the continuous-valued problems that compose most system identification tasks. In this paper, we develop a new form of lexicase selection for symbolic regression, named epsilon-lexicase selection, that redefines the pass condition for individuals on each test case in a more effective way. We run a series of experiments on real-world and synthetic problems with several treatments of epsilon and quantify how epsilon affects parent selection and model performance. epsilon-lexicase selection is shown to be effective for regression, producing better fit models compared to other techniques such as tournament selection and age-fitness Pareto optimization. We demonstrate that epsilon can be adapted automatically for individual test cases based on the population performance distribution. Our experiments show that epsilon-lexicase selection with automatic epsilon produces the most accurate models across tested problems with negligible computational overhead. We show that behavioral diversity is exceptionally high in lexicase selection treatments, and that epsilon-lexicase selection makes use of more fitness cases when selecting parents than lexicase selection, which helps explain the performance improvement.

cs.NE↗
arXiv2019

Semantic variation operators for multidimensional genetic programming

Multidimensional genetic programming represents candidate solutions as sets of programs, and thereby provides an interesting framework for exploiting building block identification. Towards this goal, we investigate the use of machine learning as a way to bias which components of programs are promoted, and propose two semantic operators to choose where useful building blocks are placed during crossover. A forward stagewise crossover operator we propose leads to significant improvements on a set of regression problems, and produces state-of-the-art results in a large benchmark study. We discuss this architecture and others in terms of their propensity for allowing heuristic search to utilize information during the evolutionary process. Finally, we look at the collinearity and complexity of the data representations that result from these architectures, with a view towards disentangling factors of variation in application.

cs.NE↗
arXiv2019

Learning concise representations for regression by evolving networks of trees

We propose and study a method for learning interpretable representations for the task of regression. Features are represented as networks of multi-type expression trees comprised of activation functions common in neural networks in addition to other elementary functions. Differentiable features are trained via gradient descent, and the performance of features in a linear model is used to weight the rate of change among subcomponents of each representation. The search process maintains an archive of representations with accuracy-complexity trade-offs to assist in generalization and interpretation. We compare several stochastic optimization approaches within this framework. We benchmark these variants on 100 open-source regression problems in comparison to state-of-the-art machine learning approaches. Our main finding is that this approach produces the highest average test scores across problems while producing representations that are orders of magnitude smaller than the next best performing method (gradient boosting). We also report a negative result in which attempts to directly optimize the disentanglement of the representation result in more highly correlated features.

cs.NE↗
arXiv2019

Interpretation of machine learning predictions for patient outcomes in electronic health records

Electronic health records are an increasingly important resource for understanding the interactions between patient health, environment, and clinical decisions. In this paper we report an empirical study of predictive modeling of several patient outcomes using three state-of-the-art machine learning methods. Our primary goal is to validate the models by interpreting the importance of predictors in the final models. Central to interpretation is the use of feature importance scores, which vary depending on the underlying methodology. In order to assess feature importance, we compared univariate statistical tests, information-theoretic measures, permutation testing, and normalized coefficients from multivariate logistic regression models. In general we found poor correlation between methods in their assessment of feature importance, even when their performance is comparable and relatively good. However, permutation tests applied to random forest and gradient boosting models showed the most agreement, and the importance scores matched the clinical interpretation most frequently.

cs.CY↗
arXiv2018

Where are we now? A large benchmark study of recent symbolic regression methods

In this paper we provide a broad benchmarking of recent genetic programming approaches to symbolic regression in the context of state of the art machine learning approaches. We use a set of nearly 100 regression benchmark problems culled from open source repositories across the web. We conduct a rigorous benchmarking of four recent symbolic regression approaches as well as nine machine learning approaches from scikit-learn. The results suggest that symbolic regression performs strongly compared to state-of-the-art gradient boosting algorithms, although in terms of running times is among the slowest of the available methodologies. We discuss the results in detail and point to future research directions that may allow symbolic regression to gain wider adoption in the machine learning community.

cs.NE↗
arXiv2018

A probabilistic and multi-objective analysis of lexicase selection and epsilon-lexicase selection

Lexicase selection is a parent selection method that considers training cases individually, rather than in aggregate, when performing parent selection. Whereas previous work has demonstrated the ability of lexicase selection to solve difficult problems in program synthesis and symbolic regression, the central goal of this paper is to develop the theoretical underpinnings that explain its performance. To this end, we derive an analytical formula that gives the expected probabilities of selection under lexicase selection, given a population and its behavior. In addition, we expand upon the relation of lexicase selection to many-objective optimization methods to describe the behavior of lexicase selection, which is to select individuals on the boundaries of Pareto fronts in high-dimensional space. We show analytically why lexicase selection performs more poorly for certain sizes of population and training cases, and show why it has been shown to perform more poorly in continuous error spaces. To address this last concern, we propose new variants of epsilon-lexicase selection, a method that modifies the pass condition in lexicase selection to allow near-elite individuals to pass cases, thereby improving selection performance with continuous errors. We show that epsilon-lexicase outperforms several diversity-maintenance strategies on a number of real-world and synthetic regression problems.

cs.NE↗
arXiv2018

Data-driven Advice for Applying Machine Learning to Bioinformatics Problems

As the bioinformatics field grows, it must keep pace not only with new data but with new algorithms. Here we contribute a thorough analysis of 13 state-of-the-art, commonly used machine learning algorithms on a set of 165 publicly available classification problems in order to provide data-driven algorithm recommendations to current researchers. We present a number of statistical and visual comparisons of algorithm performance and quantify the effect of model selection and algorithm tuning for each algorithm and dataset. The analysis culminates in the recommendation of five algorithms with hyperparameters that maximize classifier performance across the tested problems, as well as general guidelines for applying machine learning to supervised classification problems.

q-bio.QM↗
arXiv2017

A System for Accessible Artificial Intelligence

While artificial intelligence (AI) has become widespread, many commercial AI systems are not yet accessible to individual researchers nor the general public due to the deep knowledge of the systems required to use them. We believe that AI has matured to the point where it should be an accessible technology for everyone. We present an ongoing project whose ultimate goal is to deliver an open source, user-friendly AI system that is specialized for machine learning analysis of complex data in the biomedical and health care domains. We discuss how genetic programming can aid in this endeavor, and highlight specific examples where genetic programming has automated machine learning analyses in previous projects.

cs.AI↗