Fabio A. González

Yigeng Zhang, Mahsa Shafaei, Fabio A. González et al.

In this work, we introduce a pioneering research challenge: evaluating positive and potentially harmful messages within music products. We initiate by setting a multi-faceted, multi-task benchmark for music content assessment. Subsequently, we introduce an efficient multi-task predictive model fortified with ordinality-enforcement to address this challenge. Our findings reveal that the proposed method not only significantly outperforms robust task-specific alternatives but also possesses the capability to assess multiple aspects simultaneously. Furthermore, through detailed case studies, where we employed Large Language Models (LLMs) as surrogates for content assessment, we provide valuable insights to inform and guide future research on this topic. The code for dataset creation and model implementation is publicly available at https://github.com/RiTUAL-UH/music-message-assessment.

Joseph A. Gallego, Juan F. Osorio, Fabio A. González

Kernel density estimation (KDE) is one of the most widely used nonparametric density estimation methods. The fact that it is a memory-based method, i.e., it uses the entire training data set for prediction, makes it unsuitable for most current big data applications. Several strategies, such as tree-based or hashing-based estimators, have been proposed to improve the efficiency of the kernel density estimation method. The novel density kernel density estimation method (DMKDE) uses density matrices, a quantum mechanical formalism, and random Fourier features, an explicit kernel approximation, to produce density estimates. This method has its roots in the KDE and can be considered as an approximation method, without its memory-based restriction. In this paper, we systematically evaluate the novel DMKDE algorithm and compare it with other state-of-the-art fast procedures for approximating the kernel density estimation method on different synthetic data sets. Our experimental results show that DMKDE is on par with its competitors for computing density estimates and advantages are shown when performed on high-dimensional data. We have made all the code available as an open source software repository.

Anamaria Mojica-Hanke, Andrea Bayona, Mario Linares-Vásquez et al.

Machine Learning (ML) is being used in multiple disciplines due to its powerful capability to infer relationships within data. In particular, Software Engineering (SE) is one of those disciplines in which ML has been used for multiple tasks, like software categorization, bugs prediction, and testing. In addition to the multiple ML applications, some studies have been conducted to detect and understand possible pitfalls and issues when using ML. However, to the best of our knowledge, only a few studies have focused on presenting ML best practices or guidelines for the application of ML in different domains. In addition, the practices and literature presented in previous literature (i) are domain-specific (e.g., concrete practices in biomechanics), (ii) describe few practices, or (iii) the practices lack rigorous validation and are presented in gray literature. In this paper, we present a study listing 127 ML best practices systematically mining 242 posts of 14 different Stack Exchange (STE) websites and validated by four independent ML experts. The list of practices is presented in a set of categories related to different stages of the implementation process of an ML-enabled system; for each practice, we include explanations and examples. In all the practices, the provided examples focus on SE tasks. We expect this list of practices could help practitioners to understand better the practices and use ML in a more informed way, in particular newcomers to this new area that sits at the intersection of software engineering and machine learning.

Raúl Ramos-Pollán, Fabio A. González

This work addresses the challenge of training supervised machine or deep learning models on orbiting platforms where we are generally constrained by limited on-board hardware capabilities and restricted uplink bandwidths to upload. We aim at enabling orbiting spacecrafts to (1) continuously train a lightweight model as it acquires imagery; and (2) receive new labels while on orbit to refine or even change the predictive task being trained. For this, we consider chip level regression tasks (i.e. predicting the vegetation percentage of a 20 km$^2$ patch) when we only have coarser label proportions, such as municipality level vegetation statistics (a municipality containing several patches). Such labels proportions have the additional advantage that usually come in tabular data and are widely available in many regions of the world and application areas. This can be framed as a Learning from Label Proportions (LLP) problem setup. LLP applied to Earth Observation (EO) data is still an emerging field and performing comparative studies in applied scenarios remains a challenge due to the lack of standardized datasets. In this work, first, we show how very simple deep learning and probabilistic methods (with {\raise.17ex\hbox{$\scriptstyle\sim$}}5K parameters) generally perform better than standard more complex ones, providing a surprising level of finer grained spatial detail when trained with much coarser label proportions. Second, we publish a set of benchmarking datasets enabling comparative LLP applied to EO, providing both fine grained labels and aggregated data according to existing administrative divisions. Finally, we show how this approach fits an on-orbit training scenario by reducing vastly both the amount of computing and the size of the labels sets. Source code is available at https://github.com/rramosp/llpeo

Vladimir Vargas-Calderón, Fabio A. González, Herbert Vinck-Posada

We demonstrate the implementation of a novel machine learning framework for probability density estimation and classification using quantum circuits. The framework maps a training data set or a single data sample to the quantum state of a physical system through quantum feature maps. The quantum state of the arbitrarily large training data set summarises its probability distribution in a finite-dimensional quantum wave function. By projecting the quantum state of a new data sample onto the quantum state of the training data set, one can derive statistics to classify or estimate the density of the new data sample. Remarkably, the implementation of our framework on a real quantum device does not require any optimisation of quantum circuit parameters. Nonetheless, we discuss a variational quantum circuit approach that could leverage quantum advantage for our framework.

Vladimir Vargas-Calderón, Herbert Vinck-Posada, Fabio A. González

We consider the Feynman-Kitaev formalism applied to a spin chain described by the transverse field Ising model. This formalism consists of building a Hamiltonian whose ground state encodes the time evolution of the spin chain at discrete time steps. To find this ground state, variational wave functions parameterised by artificial neural networks -- also known as neural quantum states (NQSs) -- are used. Our work focuses on assessing, in the context of the Feynman-Kitaev formalism, two properties of NQSs: expressivity (the possibility that variational parameters can be set to values such that the NQS is faithful to the true ground state of the system) and trainability (the process of reaching said values). We find that the considered NQSs are capable of accurately approximating the true ground state of the system, i.e., they are expressive enough ansätze. However, extensive hyperparameter tuning experiments show that, empirically, reaching the set of values for the variational parameters that correctly describe the ground state becomes ever more difficult as the number of time steps increase because the true ground state becomes more entangled, and the probability distribution starts to spread across the Hilbert space canonical basis.

Joseph A. Gallego, Fabio A. González

Density estimation is a fundamental task in statistics and machine learning applications. Kernel density estimation is a powerful tool for non-parametric density estimation in low dimensions; however, its performance is poor in higher dimensions. Moreover, its prediction complexity scale linearly with more training data points. This paper presents a method for neural density estimation that can be seen as a type of kernel density estimation, but without the high prediction computational complexity. The method is based on density matrices, a formalism used in quantum mechanics, and adaptive Fourier features. The method can be trained without optimization, but it could be also integrated with deep learning architectures and trained using gradient descent. Thus, it could be seen as a form of neural density estimation method. The method was evaluated in different synthetic and real datasets, and its performance compared against state-of-the-art neural density estimation methods, obtaining competitive results.

Oscar Bustos-Brinez, Joseph Gallego-Mejia, Fabio A. González

This paper presents a novel density estimation method for anomaly detection using density matrices (a powerful mathematical formalism from quantum mechanics) and Fourier features. The method can be seen as an efficient approximation of Kernel Density Estimation (KDE). A systematic comparison of the proposed method with eleven state-of-the-art anomaly detection methods on various data sets is presented, showing competitive performance on different benchmark data sets. The method is trained efficiently and it uses optimization to find the parameters of data embedding. The prediction phase complexity of the proposed algorithm is constant relative to the training data size, and it performs well in data sets with different anomaly rates. Its architecture allows vectorization and can be implemented on GPU/TPU hardware.

Jose Miguel Arrieta Ramos, Oscar Perdómo, Fabio A. González

Diabetic retinopathy (DR) is one of the leading causes of blindness in the working-age population of developed countries, caused by a side effect of diabetes that reduces the blood supply to the retina. Deep neural networks have been widely used in automated systems for DR classification on eye fundus images. However, these models need a large number of annotated images. In the medical domain, annotations from experts are costly, tedious, and time-consuming; as a result, a limited number of annotated images are available. This paper presents a semi-supervised method that leverages unlabeled images and labeled ones to train a model that detects diabetic retinopathy. The proposed method uses unsupervised pretraining via self-supervised learning followed by supervised fine-tuning with a small set of labeled images and knowledge distillation to increase the performance in classification task. This method was evaluated on the EyePACS test and Messidor-2 dataset achieving 0.94 and 0.89 AUC respectively using only 2% of EyePACS train labeled images.

Joseph Gallego-Mejia, Oscar Bustos-Brinez, Fabio A. González

This paper presents an anomaly detection model that combines the strong statistical foundation of density-estimation-based anomaly detection methods with the representation-learning ability of deep-learning models. The method combines an autoencoder, for learning a low-dimensional representation of the data, with a density-estimation model based on random Fourier features and density matrices in an end-to-end architecture that can be trained using gradient-based optimization techniques. The method predicts a degree of normality for new samples based on the estimated density. A systematic experimental evaluation was performed on different benchmark datasets. The experimental results show that the method performs on par with or outperforms other state-of-the-art methods.

Yigeng Zhang, Fabio A. González, Thamar Solorio

Reading comprehension continues to be a crucial research focus in the NLP community. Recent advances in Machine Reading Comprehension (MRC) have mostly centered on literal comprehension, referring to the surface-level understanding of content. In this work, we focus on the next level - interpretive comprehension, with a particular emphasis on inferring the themes of a narrative text. We introduce the first dataset specifically designed for interpretive comprehension of educational narratives, providing corresponding well-edited theme texts. The dataset spans a variety of genres and cultural origins and includes human-annotated theme keywords with varying levels of granularity. We further formulate NLP tasks under different abstractions of interpretive comprehension toward the main idea of a story. After conducting extensive experiments with state-of-the-art methods, we found the task to be both challenging and significant for NLP research. The dataset and source code have been made publicly available to the research community at https://github.com/RiTUAL-UH/EduStory.

Joseph Gallego-Mejia, Oscar Bustos-Brinez, Fabio A. González

This paper introduces a novel anomaly detection framework that combines the robust statistical principles of density-estimation-based anomaly detection methods with the representation-learning capabilities of deep learning models. The method originated from this framework is presented in two different versions: a shallow approach employing a density-estimation model based on adaptive Fourier features and density matrices, and a deep approach that integrates an autoencoder to learn a low-dimensional representation of the data. By estimating the density of new samples, both methods are able to find normality scores. The methods can be seamlessly integrated into an end-to-end architecture and optimized using gradient-based optimization techniques. To evaluate their performance, extensive experiments were conducted on various benchmark datasets. The results demonstrate that both versions of the method can achieve comparable or superior performance when compared to other state-of-the-art methods. Notably, the shallow approach performs better on datasets with fewer dimensions, while the autoencoder-based approach shows improved performance on datasets with higher dimensions.

Fabio A. González, Raúl Ramos-Pollán, Joseph A. Gallego-Mejia

This paper introduces a novel approach to probabilistic deep learning, kernel density matrices, which provide a simpler yet effective mechanism for representing joint probability distributions of both continuous and discrete random variables. In quantum mechanics, a density matrix is the most general way to describe the state of a quantum system. This work extends the concept of density matrices by allowing them to be defined in a reproducing kernel Hilbert space. This abstraction allows the construction of differentiable models for density estimation, inference, and sampling, and enables their integration into end-to-end deep neural models. In doing so, we provide a versatile representation of marginal and joint probability distributions that allows us to develop a differentiable, compositional, and reversible inference procedure that covers a wide range of machine learning tasks, including density estimation, discriminative learning, and generative modeling. The broad applicability of the framework is illustrated by two examples: an image classification model that can be naturally transformed into a conditional generative model, and a model for learning with label proportions that demonstrates the framework's ability to deal with uncertainty in the training samples. The framework is implemented as a library and is available at: https://github.com/fagonzalezo/kdm.

Santiago Toledo-Cortés, Melissa De La Pava, Oscar Perdómo et al.

Diabetic Retinopathy (DR) is one of the microvascular complications of Diabetes Mellitus, which remains as one of the leading causes of blindness worldwide. Computational models based on Convolutional Neural Networks represent the state of the art for the automatic detection of DR using eye fundus images. Most of the current work address this problem as a binary classification task. However, including the grade estimation and quantification of predictions uncertainty can potentially increase the robustness of the model. In this paper, a hybrid Deep Learning-Gaussian process method for DR diagnosis and uncertainty quantification is presented. This method combines the representational power of deep learning, with the ability to generalize from small datasets of Gaussian process models. The results show that uncertainty quantification in the predictions improves the interpretability of the method as a diagnostic support tool. The source code to replicate the experiments is publicly available at https://github.com/stoledoc/DLGP-DR-Diagnosis.

Juan S. Lara, Fabio A. González

The dissimilarity mixture autoencoder (DMAE) is a neural network model for feature-based clustering that incorporates a flexible dissimilarity function and can be integrated into any kind of deep learning architecture. It internally represents a dissimilarity mixture model (DMM) that extends classical methods like K-Means, Gaussian mixture models, or Bregman clustering to any convex and differentiable dissimilarity function through the reinterpretation of probabilities as neural network representations. DMAE can be integrated with deep learning architectures into end-to-end models, allowing the simultaneous estimation of the clustering and neural network's parameters. Experimental evaluation was performed on image and text clustering benchmark datasets showing that DMAE is competitive in terms of unsupervised classification accuracy and normalized mutual information. The source code with the implementation of DMAE is publicly available at: https://github.com/juselara1/dmae

Oscar Hernán Paruma-Pabón, Fabio A. González, Jairo Aponte et al.

Personality traits influence most, if not all, of the human activities, from those as natural as the way people walk, talk, dress and write to those most complex as the way they interact with others. Most importantly, personality influences the way people make decisions including, in the case of developers, the criteria they consider when selecting a software project they want to participate. Most of the works that study the influence of social, technical and human factors in software development projects have been focused on the impact of communications in software quality. For instance, on identifying predictors to detect files that may contain bugs before releasing an enhanced version of a software product. Only a few of these works focus on the analysis of personality traits of developers with commit permissions (committers) in Free/Libre and Open-Source Software projects and their relationship with the software artifacts they interact with. This paper presents an approach, based on the automatic recognition of personality traits from e-mails sent by committers in FLOSS projects, to uncover relationships between the social and technical aspects that occur during the software development process. Our experimental results suggest the existence of some relationships among personality traits projected by the committers through their e-mails and the social (communication) and technical activities they undertake. This work is a preliminary study aimed at supporting the setting up of efficient work teams in software development projects based on an appropriate mix of stakeholders taking into account their personality traits.

Juan E. Ardila-García, Vladimir Vargas-Calderón, Fabio A. González et al.

This paper presents a strategy for efficient quantum circuit design for density estimation. The strategy is based on a quantum-inspired algorithm for density estimation and a circuit optimisation routine based on memetic algorithms. The model maps a training dataset to a quantum state represented by a density matrix through a quantum feature map. This training state encodes the probability distribution of the dataset in a quantum state, such that the density of a new sample can be estimated by projecting its corresponding quantum state onto the training state. We propose the application of a memetic algorithm to find the architecture and parameters of a variational quantum circuit that implements the quantum feature map, along with a variational learning strategy to prepare the training state. Demonstrations of the proposed strategy show an accurate approximation of the Gaussian kernel density estimation method through shallow quantum circuits illustrating the feasibility of the algorithm for near-term quantum hardware.

Melissa delaPava, Hernán Ríos, Francisco J. Rodríguez et al.

Diabetic retinopathy (DR) is the result of a complication of diabetes affecting the retina. It can cause blindness, if left undiagnosed and untreated. An ophthalmologist performs the diagnosis by screening each patient and analyzing the retinal lesions via ocular imaging. In practice, such analysis is time-consuming and cumbersome to perform. This paper presents a model for automatic DR classification on eye fundus images. The approach identifies the main ocular lesions related to DR and subsequently diagnoses the illness. The proposed method follows the same workflow as the clinicians, providing information that can be interpreted clinically to support the prediction. A subset of the kaggle EyePACS and the Messidor-2 datasets, labeled with ocular lesions, is made publicly available. The kaggle EyePACS subset is used as a training set and the Messidor-2 as a test set for lesions and DR classification models. For DR diagnosis, our model has an area-under-the-curve, sensitivity, and specificity of 0.948, 0.886, and 0.875, respectively, which competes with state-of-the-art approaches.

Diego H. Useche, Andres Giraldo-Carvajal, Hernan M. Zuluaga-Bucheli et al.

This paper presents a hybrid classical-quantum program for density estimation and supervised classification. The program is implemented as a quantum circuit in a high-dimensional quantum computer simulator. We show that the proposed quantum protocols allow to estimate probability density functions and to make predictions in a supervised learning manner. This model can be generalized to find expected values of density matrices in high-dimensional quantum computers. Experiments on various data sets are presented. Results show that the proposed method is a viable strategy to implement supervised classification and density estimation in a high-dimensional quantum computer.

Santiago Toledo-Cortés, Diego H. Useche, Fabio A. González

Prostate cancer (PCa) is one of the most common and aggressive cancers worldwide. The Gleason score (GS) system is the standard way of classifying prostate cancer and the most reliable method to determine the severity and treatment to follow. The pathologist looks at the arrangement of cancer cells in the prostate and assigns a score on a scale that ranges from 6 to 10. Automatic analysis of prostate whole-slide images (WSIs) is usually addressed as a binary classification problem, which misses the finer distinction between stages given by the GS. This paper presents a probabilistic deep learning ordinal classification method that can estimate the GS from a prostate WSI. Approaching the problem as an ordinal regression task using a differentiable probabilistic model not only improves the interpretability of the results, but also improves the accuracy of the model when compared to conventional deep classification and regression architectures.

Fabio A. González, Alejandro Gallego, Santiago Toledo-Cortés et al.

A density matrix describes the statistical state of a quantum system. It is a powerful formalism to represent both the quantum and classical uncertainty of quantum systems and to express different statistical operations such as measurement, system combination and expectations as linear algebra operations. This paper explores how density matrices can be used as a building block for machine learning models exploiting their ability to straightforwardly combine linear algebra and probability. One of the main results of the paper is to show that density matrices coupled with random Fourier features could approximate arbitrary probability distributions over $\mathbb{R}^n$. Based on this finding the paper builds different models for density estimation, classification and regression. These models are differentiable, so it is possible to integrate them with other differentiable components, such as deep learning architectures and to learn their parameters using gradient-based optimization. In addition, the paper presents optimization-less training strategies based on estimation and model averaging. The models are evaluated in benchmark tasks and the results are reported and discussed.

Fabio A. González, Vladimir Vargas-Calderón, Herbert Vinck-Posada

This paper reports a novel method for supervised machine learning based on the mathematical formalism that supports quantum mechanics. The method uses projective quantum measurement as a way of building a prediction function. Specifically, the relationship between input and output variables is represented as the state of a bipartite quantum system. The state is estimated from training samples through an averaging process that produces a density matrix. Prediction of the label for a new sample is made by performing a projective measurement on the bipartite system with an operator, prepared from the new input sample, and applying a partial trace to obtain the state of the subsystem representing the output. The method can be seen as a generalization of Bayesian inference classification and as a type of kernel-based learning method. One remarkable characteristic of the method is that it does not require learning any parameters through optimization. We illustrate the method with different 2-D classification benchmark problems and different quantum information encodings.

Gustavo Aguilar, A. Pastor López-Monroy, Fabio A. González et al.

Recognizing named entities in a document is a key task in many NLP applications. Although current state-of-the-art approaches to this task reach a high performance on clean text (e.g. newswire genres), those algorithms dramatically degrade when they are moved to noisy environments such as social media domains. We present two systems that address the challenges of processing social media data using character-level phonetics and phonology, word embeddings, and Part-of-Speech tags as features. The first model is a multitask end-to-end Bidirectional Long Short-Term Memory (BLSTM)-Conditional Random Field (CRF) network whose output layer contains two CRF classifiers. The second model uses a multitask BLSTM network as feature extractor that transfers the learning to a CRF classifier for the final prediction. Our systems outperform the current F1 scores of the state of the art on the Workshop on Noisy User-generated Text 2017 dataset by 2.45% and 3.69%, establishing a more suitable approach for social media environments.

Fabio A. González, Juan C. Caicedo

The main goal of this paper is to explore latent topic analysis (LTA), in the context of quantum information retrieval. LTA is a valuable technique for document analysis and representation, which has been extensively used in information retrieval and machine learning. Different LTA techniques have been proposed, some based on geometrical modeling (such as latent semantic analysis, LSA) and others based on a strong statistical foundation. However, these two different approaches are not usually mixed. Quantum information retrieval has the remarkable virtue of combining both geometry and probability in a common principled framework. We built on this quantum framework to propose a new LTA method, which has a clear geometrical motivation but also supports a well-founded probabilistic interpretation. An initial exploratory experimentation was performed on three standard data sets. The results show that the proposed method outperforms LSA on two of the three datasets. These results suggests that the quantum-motivated representation is an alternative for geometrical latent topic modeling worthy of further exploration.

John Arevalo, Thamar Solorio, Manuel Montes-y-Gómez et al.

This paper presents a novel model for multimodal learning based on gated neural networks. The Gated Multimodal Unit (GMU) model is intended to be used as an internal unit in a neural network architecture whose purpose is to find an intermediate representation based on a combination of data from different modalities. The GMU learns to decide how modalities influence the activation of the unit using multiplicative gates. It was evaluated on a multilabel scenario for genre classification of movies using the plot and the poster. The GMU improved the macro f-score performance of single-modality approaches and outperformed other fusion strategies, including mixture of experts models. Along with this work, the MM-IMDb dataset is released which, to the best of our knowledge, is the largest publicly available multimodal dataset for genre prediction on movies.