Miguel Romero

Marcelo Arenas, Pablo Barceló, Miguel Romero et al.

Formal XAI (explainable AI) is a growing area that focuses on computing explanations with mathematical guarantees for the decisions made by ML models. Inside formal XAI, one of the most studied cases is that of explaining the choices taken by decision trees, as they are traditionally deemed as one of the most interpretable classes of models. Recent work has focused on studying the computation of "sufficient reasons", a kind of explanation in which given a decision tree $T$ and an instance $x$, one explains the decision $T(x)$ by providing a subset $y$ of the features of $x$ such that for any other instance $z$ compatible with $y$, it holds that $T(z) = T(x)$, intuitively meaning that the features in $y$ are already enough to fully justify the classification of $x$ by $T$. It has been argued, however, that sufficient reasons constitute a restrictive notion of explanation, and thus the community has started to study their probabilistic counterpart, in which one requires that the probability of $T(z) = T(x)$ must be at least some value $δ\in (0, 1]$, where $z$ is a random instance that is compatible with $y$. Our paper settles the computational complexity of $δ$-sufficient-reasons over decision trees, showing that both (1) finding $δ$-sufficient-reasons that are minimal in size, and (2) finding $δ$-sufficient-reasons that are minimal inclusion-wise, do not admit polynomial-time algorithms (unless P=NP). This is in stark contrast with the deterministic case ($δ= 1$) where inclusion-wise minimal sufficient-reasons are easy to compute. By doing this, we answer two open problems originally raised by Izza et al. On the positive side, we identify structural restrictions of decision trees that make the problem tractable, and show how SAT solvers might be able to tackle these problems in practical settings.

Miguel Romero, Jorge Finke, Camilo Rocha

Node classification is the task of inferring or predicting missing node attributes from information available for other nodes in a network. This paper presents a general prediction model to hierarchical multi-label classification (HMC), where the attributes to be inferred can be specified as a strict poset. It is based on a top-down classification approach that addresses hierarchical multi-label classification with supervised learning by building a local classifier per class. The proposed model is showcased with a case study on the prediction of gene functions for Oryza sativa Japonica, a variety of rice. It is compared to the Hierarchical Binomial-Neighborhood, a probabilistic model, by evaluating both approaches in terms of prediction performance and computational cost. The results in this work support the working hypothesis that the proposed model can achieve good levels of prediction efficiency, while scaling up in relation to the state of the art.

Miguel Romero, Felipe Kenji Nakano, Jorge Finke et al.

The availability of genomic data has grown exponentially in the last decade, mainly due to the development of new sequencing technologies. Based on the interactions between genes (and gene products) extracted from the increasing genomic data, numerous studies have focused on the identification of associations between genes and functions. While these studies have shown great promise, the problem of annotating genes with functions remains an open challenge. In this work, we present a method to detect missing annotations in hierarchical multi-label classification datasets. We propose a method that exploits the class hierarchy by computing aggregated probabilities to the paths of classes from the leaves to the root for each instance. The proposed method is presented in the context of predicting missing gene function annotations, where these aggregated probabilities are further used to select a set of annotations to be verified through in vivo experiments. The experiments on Oriza sativa Japonica, a variety of rice, showcase that incorporating the hierarchy of classes into the method often improves the predictive performance and our proposed method yields superior results when compared to competitor methods from the literature.

Tamara Cucumides, Daniel Daza, Pablo Barceló et al.

The challenge of answering graph queries over incomplete knowledge graphs is gaining significant attention in the machine learning community. Neuro-symbolic models have emerged as a promising approach, combining good performance with high interpretability. These models utilize trained architectures to execute atomic queries and integrate modules that mimic symbolic query operators. However, most neuro-symbolic query processors are constrained to tree-like graph pattern queries. These queries admit a bottom-up execution with constant values or anchors at the leaves and the target variable at the root. While expressive, tree-like queries fail to capture critical properties in knowledge graphs, such as the existence of multiple edges between entities or the presence of triangles. We introduce a framework for answering arbitrary graph pattern queries over incomplete knowledge graphs, encompassing both cyclic queries and tree-like queries with existentially quantified leaves. These classes of queries are vital for practical applications but are beyond the scope of most current neuro-symbolic models. Our approach employs an approximation scheme that facilitates acyclic traversals for cyclic patterns, thereby embedding additional symbolic bias into the query execution process. Our experimental evaluation demonstrates that our framework performs competitively on three datasets, effectively handling cyclic queries through our approximation strategy. Additionally, it maintains the performance of existing neuro-symbolic models on anchored tree-like queries and extends their capabilities to queries with existentially quantified variables.

Miguel Romero, Oscar Ramírez, Jorge Finke et al.

Gene annotation addresses the problem of predicting unknown associations between gene and functions (e.g., biological processes) of a specific organism. Despite recent advances, the cost and time demanded by annotation procedures that rely largely on in vivo biological experiments remain prohibitively high. This paper presents a novel in silico approach for to the annotation problem that combines cluster analysis and hierarchical multi-label classification (HMC). The approach uses spectral clustering to extract new features from the gene co-expression network (GCN) and enrich the prediction task. HMC is used to build multiple estimators that consider the hierarchical structure of gene functions. The proposed approach is applied to a case study on Zea mays, one of the most dominant and productive crops in the world. The results illustrate how in silico approaches are key to reduce the time and costs of gene annotation. More specifically, they highlight the importance of: (i) building new features that represent the structure of gene relationships in GCNs to annotate genes; and (ii) taking into account the structure of biological processes to obtain consistent predictions.

Santiago Cifuentes, Leopoldo Bertossi, Nina Pardal et al.

Attribution scores reflect how important the feature values in an input entity are for the output of a machine learning model. One of the most popular attribution scores is the SHAP score, which is an instantiation of the general Shapley value used in coalition game theory. The definition of this score relies on a probability distribution on the entity population. Since the exact distribution is generally unknown, it needs to be assigned subjectively or be estimated from data, which may lead to misleading feature scores. In this paper, we propose a principled framework for reasoning on SHAP scores under unknown entity population distributions. In our framework, we consider an uncertainty region that contains the potential distributions, and the SHAP score of a feature becomes a function defined over this region. We study the basic problems of finding maxima and minima of this function, which allows us to determine tight ranges for the SHAP scores of all features. In particular, we pinpoint the complexity of these problems, and other related ones, showing them to be NP-complete. Finally, we present experiments on a real-world dataset, showing that our framework may contribute to a more robust feature scoring.

Miguel Romero, Shuoyang Ding, Corey D. Barret et al.

Dense embeddings are fundamental to modern machine learning systems, powering Retrieval-Augmented Generation (RAG), information retrieval, and representation learning. While instruction-conditioning has become the dominant approach for embedding specialization, its direct application to low-capacity models imposes fundamental representational constraints that limit the performance gains derived from specialization. In this paper, we analyze these limitations and introduce the Mixture of Task Experts (MoTE) transformer block, which leverages task-specialized parameters trained with Task-Aware Contrastive Learning (\tacl) to enhance the model ability to generate specialized embeddings. Empirical results show that MoTE achieves $64\%$ higher performance gains in retrieval datasets ($+3.27 \rightarrow +5.21$) and $43\%$ higher performance gains across all datasets ($+1.81 \rightarrow +2.60$). Critically, these gains are achieved without altering instructions, training data, inference time, or number of active parameters.

Miguel Romero, Jorge Finke, Camilo Rocha et al.

The spectral evolution model aims to characterize the growth of large networks (i.e., how they evolve as new edges are established) in terms of the eigenvalue decomposition of the adjacency matrices. It assumes that, while eigenvectors remain constant, eigenvalues evolve in a predictable manner over time. This paper extends the original formulation of the model twofold. First, it presents a method to compute an approximation of the spectral evolution of eigenvalues based on the Rayleigh quotient. Second, it proposes an algorithm to estimate the evolution of eigenvalues by extrapolating only a fraction of their approximated values. The proposed model is used to characterize mention networks of users who posted tweets that include the most popular political hashtags in Colombia from August 2017 to August 2018 (the period which concludes the disarmament of the Revolutionary Armed Forces of Colombia). To evaluate the extent to which the spectral evolution model resembles these networks, link prediction methods based on learning algorithms (i.e., extrapolation and regression) and graph kernels are implemented. Experimental results show that the learning algorithms deployed on the approximated trajectories outperform the usual kernel and extrapolation methods at predicting the formation of new edges.

Miguel Romero, Yannet Interian, Timothy Solberg et al.

The growing use of Machine Learning has produced significant advances in many fields. For image-based tasks, however, the use of deep learning remains challenging in small datasets. In this article, we review, evaluate and compare the current state-of-the-art techniques in training neural networks to elucidate which techniques work best for small datasets. We further propose a path forward for the improvement of model accuracy in medical imaging applications. We observed best results from one cycle training, discriminative learning rates with gradual freezing and parameter modification after transfer learning. We also established that when datasets are small, transfer learning plays an important role beyond parameter initialization by reusing previously learned features. Surprisingly we observed that there is little advantage in using pre-trained networks in images from another part of the body compared to Imagenet. On the contrary, if images from the same part of the body are available then transfer learning can produce a significant improvement in performance with as little as 50 images in the training data.