相关论文: Scalable and interpretable rule-based link predict…

Standard software analytics often involves having a large amount of data with labels in order to commission models with acceptable performance. However, prior work has shown that such requirements can be expensive, taking several weeks to…

Predicting drug-target interaction is key for drug discovery. Recent deep learning-based methods show promising performance but two challenges remain: (i) how to explicitly model and learn local interactions between drugs and targets for…

Predicting compound-protein affinity is critical for accelerating drug discovery. Recent progress made by machine learning focuses on accuracy but leaves much to be desired for interpretability. Through molecular contacts underlying…

Deep Neural Networks (DNNs) have an enormous potential to learn from complex biomedical data. In particular, DNNs have been used to seamlessly fuse heterogeneous information from neuroanatomy, genetics, biomarkers, and neuropsychological…

Foundation models (FMs) are able to leverage large volumes of unlabeled data to demonstrate superior performance across a wide range of tasks. However, FMs developed for biomedical domains have largely remained unimodal, i.e., independently…

AI-enabled precision medicine promises a transformational improvement in healthcare outcomes by enabling data-driven personalized diagnosis, prognosis, and treatment. However, the well-known "curse of dimensionality" and the clustered…

This paper proposes a new paradigm for learning a set of independent logical rules in disjunctive normal form as an interpretable model for classification. We consider the problem of learning an interpretable decision rule set as training a…

Explainable Graph Neural Networks (GNNs) have been developed and applied to drug-protein binding prediction to identify the key chemical structures in a drug that have active interactions with the target proteins. However, the key…

Dendrites are crucial structures for computation of an individual neuron. It has been shown that the dynamics of a biological neuron with dendrites can be approximated by artificial neural networks (ANN) with deep structure. However, it…

Molecular docking that predicts the bound structures of small molecules (ligands) to their protein targets, plays a vital role in drug discovery. However, existing docking methods often face limitations: they either overlook crucial…

Rule-based decision models are attractive due to their interpretability. However, existing rule induction methods often result in long and consequently less interpretable rule models. This problem can often be attributed to the lack of…

We conduct an empirical analysis of neural network architectures and data transfer strategies for causal relation extraction. By conducting experiments with various contextual embedding layers and architectural components, we show that a…

Collaborative personalization, such as through learned user representations (embeddings), can improve the prediction accuracy of neural-network-based models significantly. We propose Federated User Representation Learning (FURL), a simple,…

Tabular data in knowledge-rich domains often carries a latent prior in the form of Boolean implication relationships (BIRs) between pairs of features. We mine such relationships with a sparse-exception binomial test. The mined implications…

Despite their great success in recent years, deep neural networks (DNN) are mainly black boxes where the results obtained by running through the network are difficult to understand and interpret. Compared to e.g. decision trees or bayesian…

The interpretability of machine learning, particularly for deep neural networks, is crucial for decision making in real-world applications. One approach is replacing the un-interpretable machine learning model with a surrogate model, which…

Technological advances have enabled the generation of unique and complementary types of data or views (e.g. genomics, proteomics, metabolomics) and opened up a new era in multiview learning research with the potential to lead to new…

Despite the ubiquity of tabular data in high-stakes domains, traditional deep learning architectures often struggle to match the performance of gradient-boosted decision trees while maintaining scientific interpretability. Standard neural…

In this paper, we propose LEURN: a neural network architecture that learns univariate decision rules. LEURN is a white-box algorithm that results into univariate trees and makes explainable decisions in every stage. In each layer, LEURN…

Multi-label classification (MLC) is a supervised learning problem in which, contrary to standard multiclass classification, an instance can be associated with several class labels simultaneously. In this chapter, we advocate a rule-based…