Variable selection or importance measurement of input variables to a machine learning model has become the focus of much research. It is no longer enough to have a good model, one also must explain its decisions. This is why there are so many intelligibility algorithms available today. Among them, Shapley value estimation algorithms are intelligibility methods based on cooperative game theory. In the case of the naive Bayes classifier, and to our knowledge, there is no ``analytical" formulation of Shapley values. This article proposes an exact analytic expression of Shapley values in the special case of the naive Bayes Classifier. We analytically compare this Shapley proposal, to another frequently used indicator, the Weight of Evidence (WoE) and provide an empirical comparison of our proposal with (i) the WoE and (ii) KernelShap results on real world datasets, discussing similar and dissimilar results. The results show that our Shapley proposal for the naive Bayes classifier provides informative results with low algorithmic complexity so that it can be used on very large datasets with extremely low computation time.
Gaussian processes are frequently deployed as part of larger machine learning and decision-making systems, for instance in geospatial modeling, Bayesian optimization, or in latent Gaussian models. Within a system, the Gaussian process model needs to perform in a stable and reliable manner to ensure it interacts correctly with other parts of the system. In this work, we study the numerical stability of scalable sparse approximations based on inducing points. To do so, we first review numerical stability, and illustrate typical situations in which Gaussian process models can be unstable. Building on stability theory originally developed in the interpolation literature, we derive sufficient and in certain cases necessary conditions on the inducing points for the computations performed to be numerically stable. For low-dimensional tasks such as geospatial modeling, we propose an automated method for computing inducing points satisfying these conditions. This is done via a modification of the cover tree data structure, which is of independent interest. We additionally propose an alternative sparse approximation for regression with a Gaussian likelihood which trades off a small amount of performance to further improve stability. We provide illustrative examples showing the relationship between stability of calculations and predictive performance of inducing point methods on spatial tasks.
The problem of predicting the training time of machine learning (ML) models has become extremely relevant in the scientific community. Being able to predict a priori the training time of an ML model would enable the automatic selection of the best model both in terms of energy efficiency and in terms of performance in the context of, for instance, MLOps architectures. In this paper, we present the work we are conducting towards this direction. In particular, we present an extensive empirical study of the Full Parameter Time Complexity (FPTC) approach by Zheng et al., which is, to the best of our knowledge, the only approach formalizing the training time of ML models as a function of both dataset's and model's parameters. We study the formulations proposed for the Logistic Regression and Random Forest classifiers, and we highlight the main strengths and weaknesses of the approach. Finally, we observe how, from the conducted study, the prediction of training time is strictly related to the context (i.e., the involved dataset) and how the FPTC approach is not generalizable.
The machine learning modeling process conventionally culminates in selecting a single model that maximizes a selected performance metric. However, this approach leads to abandoning a more profound analysis of slightly inferior models. Particularly in medical and healthcare studies, where the objective extends beyond predictions to valuable insight generation, relying solely on a single model can result in misleading or incomplete conclusions. This problem is particularly pertinent when dealing with a set of models known as $\textit{Rashomon set}$, with performance close to maximum one. Such a set can be numerous and may contain models describing the data in a different way, which calls for comprehensive analysis. This paper introduces a novel process to explore models in the Rashomon set, extending the conventional modeling approach. We propose the $\texttt{Rashomon_DETECT}$ algorithm to detect models with different behavior. It is based on recent developments in the eXplainable Artificial Intelligence (XAI) field. To quantify differences in variable effects among models, we introduce the Profile Disparity Index (PDI) based on measures from functional data analysis. To illustrate the effectiveness of our approach, we showcase its application in predicting survival among hemophagocytic lymphohistiocytosis (HLH) patients - a foundational case study. Additionally, we benchmark our approach on other medical data sets, demonstrating its versatility and utility in various contexts. If differently behaving models are detected in the Rashomon set, their combined analysis leads to more trustworthy conclusions, which is of vital importance for high-stakes applications such as medical applications.
With the increasing penetration of machine learning applications in critical decision-making areas, calls for algorithmic fairness are more prominent. Although there have been various modalities to improve algorithmic fairness through learning with fairness constraints, their performance does not generalize well in the test set. A performance-promising fair algorithm with better generalizability is needed. This paper proposes a novel adaptive reweighing method to eliminate the impact of the distribution shifts between training and test data on model generalizability. Most previous reweighing methods propose to assign a unified weight for each (sub)group. Rather, our method granularly models the distance from the sample predictions to the decision boundary. Our adaptive reweighing method prioritizes samples closer to the decision boundary and assigns a higher weight to improve the generalizability of fair classifiers. Extensive experiments are performed to validate the generalizability of our adaptive priority reweighing method for accuracy and fairness measures (i.e., equal opportunity, equalized odds, and demographic parity) in tabular benchmarks. We also highlight the performance of our method in improving the fairness of language and vision models. The code is available at //github.com/che2198/APW.
Over the past decade, domain adaptation has become a widely studied branch of transfer learning that aims to improve performance on target domains by leveraging knowledge from the source domain. Conventional domain adaptation methods often assume access to both source and target domain data simultaneously, which may not be feasible in real-world scenarios due to privacy and confidentiality concerns. As a result, the research of Source-Free Domain Adaptation (SFDA) has drawn growing attention in recent years, which only utilizes the source-trained model and unlabeled target data to adapt to the target domain. Despite the rapid explosion of SFDA work, yet there has no timely and comprehensive survey in the field. To fill this gap, we provide a comprehensive survey of recent advances in SFDA and organize them into a unified categorization scheme based on the framework of transfer learning. Instead of presenting each approach independently, we modularize several components of each method to more clearly illustrate their relationships and mechanics in light of the composite properties of each method. Furthermore, we compare the results of more than 30 representative SFDA methods on three popular classification benchmarks, namely Office-31, Office-home, and VisDA, to explore the effectiveness of various technical routes and the combination effects among them. Additionally, we briefly introduce the applications of SFDA and related fields. Drawing from our analysis of the challenges facing SFDA, we offer some insights into future research directions and potential settings.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
Data augmentation, the artificial creation of training data for machine learning by transformations, is a widely studied research field across machine learning disciplines. While it is useful for increasing the generalization capabilities of a model, it can also address many other challenges and problems, from overcoming a limited amount of training data over regularizing the objective to limiting the amount data used to protect privacy. Based on a precise description of the goals and applications of data augmentation (C1) and a taxonomy for existing works (C2), this survey is concerned with data augmentation methods for textual classification and aims to achieve a concise and comprehensive overview for researchers and practitioners (C3). Derived from the taxonomy, we divided more than 100 methods into 12 different groupings and provide state-of-the-art references expounding which methods are highly promising (C4). Finally, research perspectives that may constitute a building block for future work are given (C5).
Neural machine translation (NMT) is a deep learning based approach for machine translation, which yields the state-of-the-art translation performance in scenarios where large-scale parallel corpora are available. Although the high-quality and domain-specific translation is crucial in the real world, domain-specific corpora are usually scarce or nonexistent, and thus vanilla NMT performs poorly in such scenarios. Domain adaptation that leverages both out-of-domain parallel corpora as well as monolingual corpora for in-domain translation, is very important for domain-specific translation. In this paper, we give a comprehensive survey of the state-of-the-art domain adaptation techniques for NMT.
Deep learning has yielded state-of-the-art performance on many natural language processing tasks including named entity recognition (NER). However, this typically requires large amounts of labeled data. In this work, we demonstrate that the amount of labeled training data can be drastically reduced when deep learning is combined with active learning. While active learning is sample-efficient, it can be computationally expensive since it requires iterative retraining. To speed this up, we introduce a lightweight architecture for NER, viz., the CNN-CNN-LSTM model consisting of convolutional character and word encoders and a long short term memory (LSTM) tag decoder. The model achieves nearly state-of-the-art performance on standard datasets for the task while being computationally much more efficient than best performing models. We carry out incremental active learning, during the training process, and are able to nearly match state-of-the-art performance with just 25\% of the original training data.
While existing machine learning models have achieved great success for sentiment classification, they typically do not explicitly capture sentiment-oriented word interaction, which can lead to poor results for fine-grained analysis at the snippet level (a phrase or sentence). Factorization Machine provides a possible approach to learning element-wise interaction for recommender systems, but they are not directly applicable to our task due to the inability to model contexts and word sequences. In this work, we develop two Position-aware Factorization Machines which consider word interaction, context and position information. Such information is jointly encoded in a set of sentiment-oriented word interaction vectors. Compared to traditional word embeddings, SWI vectors explicitly capture sentiment-oriented word interaction and simplify the parameter learning. Experimental results show that while they have comparable performance with state-of-the-art methods for document-level classification, they benefit the snippet/sentence-level sentiment analysis.