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Publications
Trait‐matching models predict pairwise interactions across regions, not food web properties
Model predictive control (MPC) has been shown to significantly improve the energy efficiency of buildings while maintaining thermal comfort.… (see more) Data-driven approaches based on neural networks have been proposed to facilitate system modelling. However, such approaches are generally nonconvex and result in computationally intractable optimization problems. In this work, we design a readily implementable energy management method for small commercial buildings. We then leverage our approach to formulate a real-time demand bidding strategy. We propose a data-driven and mixed-integer convex MPC which is solved via derivative-free optimization given a limited computational time of 5 minutes to respect operational constraints. We consider rooftop unit heating, ventilation, and air conditioning systems with discrete controls to accurately model the operation of most commercial buildings. Our approach uses an input convex recurrent neural network to model the thermal dynamics. We apply our approach in several demand response (DR) settings, including a demand bidding, a time-of-use, and a critical peak rebate program. Controller performance is evaluated on a state-of-the-art building simulation. The proposed approach improves thermal comfort while reducing energy consumption and cost through DR participation, when compared to other data-driven approaches or a set-point controller.
MiRGraph: A transformer-based feature learning approach to identify microRNA-target interactions by integrating heterogeneous graph network and sequence information
MicroRNAs (miRNAs) play a crucial role in the regulation of gene expression by targeting specific mRNAs. They can function as both tumor sup… (see more)pressors and oncogenes depending on the specific miRNA and its target genes. Detecting miRNA-target interactions (MTIs) is critical for unraveling the complex mechanisms of gene regulation and identifying therapeutic targets and diagnostic markers. There is currently a lack of MTIs prediction method that simultaneously performs feature learning on heterogeneous graph network and sequence information. To improve the prediction performance of MTIs, we present a novel transformer-based multi-view feature learning method, named MiRGraph. It consists of two main modules for learning the sequence and heterogeneous graph network, respectively. For learning the sequence-based feaature embedding, we utilize the mature miRNA sequence and the complete 3’UTR sequence of the target mRNAs to encode sequence features. Specifically, a transformer-based CNN (TransCNN) module is designed for miRNAs and genes respectively to extract their personalized sequence features. For learning the network-based feature embedding, we utilize a heterogeneous graph transformer (HGT) module to extract the relational and structural information in a heterogeneous graph consisting of miRNA-miRNA, gene-gene and miRNA-target interactions. We learn the TransCNN and HGT modules end-to-end by utilizing a feedforward network, which takes the combined embedded features of the miRNA-gene pair to predict MTIs. Comparisons with other existing MTIs prediction methods illustrates the superiority of MiRGraph under standard criteria. In a case study on breast cancer, we identified plausible target genes of an oncomir hsa-MiR-122-5p and plausible miRNAs that regulate the oncogene BRCA1.
Ensuring reliable confidence scores from deep neural networks is of paramount significance in critical decision-making systems, particularly… (see more) in real-world domains such as healthcare. Recent literature on calibrating deep segmentation networks has resulted in substantial progress. Nevertheless, these approaches are strongly inspired by the advancements in classification tasks, and thus their uncertainty is usually modeled by leveraging the information of individual pixels, disregarding the local structure of the object of interest. Indeed, only the recent Spatially Varying Label Smoothing (SVLS) approach considers pixel spatial relationships across classes, by softening the pixel label assignments with a discrete spatial Gaussian kernel. In this work, we first present a constrained optimization perspective of SVLS and demonstrate that it enforces an implicit constraint on soft class proportions of surrounding pixels. Furthermore, our analysis shows that SVLS lacks a mechanism to balance the contribution of the constraint with the primary objective, potentially hindering the optimization process. Based on these observations, we propose NACL (Neighbor Aware CaLibration), a principled and simple solution based on equality constraints on the logit values, which enables to control explicitly both the enforced constraint and the weight of the penalty, offering more flexibility. Comprehensive experiments on a wide variety of well-known segmentation benchmarks demonstrate the superior calibration performance of the proposed approach, without affecting its discriminative power. Furthermore, ablation studies empirically show the model agnostic nature of our approach, which can be used to train a wide span of deep segmentation networks.
Dimensionality reduction-based data visualization is pivotal in comprehending complex biological data. The most common methods, such as PHAT… (see more)E, t-SNE, and UMAP, are unsupervised and therefore reflect the dominant structure in the data, which may be independent of expert-provided labels. Here we introduce a supervised data visualization method called RF-PHATE, which integrates expert knowledge for further exploration of the data. RF-PHATE leverages random forests to capture intricate featurelabel relationships. Extracting information from the forest, RF-PHATE generates low-dimensional visualizations that highlight relevant data relationships while disregarding extraneous features. This approach scales to large datasets and applies to classification and regression. We illustrate RF-PHATE’s prowess through three case studies. In a multiple sclerosis study using longitudinal clinical and imaging data, RF-PHATE unveils a sub-group of patients with non-benign relapsingremitting Multiple Sclerosis, demonstrating its aptitude for time-series data. In the context of Raman spectral data, RF-PHATE effectively showcases the impact of antioxidants on diesel exhaust-exposed lung cells, highlighting its proficiency in noisy environments. Furthermore, RF-PHATE aligns established geometric structures with COVID-19 patient outcomes, enriching interpretability in a hierarchical manner. RF-PHATE bridges expert insights and visualizations, promising knowledge generation. Its adaptability, scalability, and noise tolerance underscore its potential for widespread adoption.