On the number of clusterings in a hierarchical classi cation model with overlapping clusters

This paper shows a new combinatorial problem which emerged from studies on an arti cial intelligence classi cation model of a hierarchical classi er. We introduce the notion of proper clustering and show how to count their number in a special case when 3 clusters are allowed. An algorithm that generates all clusterings is given. We also show that the proposed approach can be generalized to any number of clusters, and can be automatized. Finally, we show the relationship between the problem of counting clusterings and the Dedekind problem

Sliced generative models

In this paper we discuss a class of AutoEncoder based generative models based on one dimensional sliced approach. The idea is based on the reduction of the discrimination between samples to one-dimensional case. Our experiments show that methods can be divided into two groups. First consists of methods which are a modification of standard normality tests, while the second is based on classical distances between samples. It turns out that both groups are correct generative models, but the second one gives a slightly faster decrease rate of Frechet Inception Distance (FID)

On the number of clusterings in a hierarchical classication model with overlapping clusters

This paper shows a new combinatorial problem which emerged from studies on an artificial intelligence classification model of a hierarchical classifier. We introduce the notion of proper clustering and show how to count their number in a special case when 3 clusters are allowed. An algorithm that generates all clusterings is given. We also show that the proposed approach can be generalized to any number of clusters, and can be automatized. Finally, we show the relationship between the problem of counting clusterings and the Dedekind problem

Zero Time Waste: Recycling Predictions in Early Exit Neural Networks

The problem of reducing processing time of large deep learning models is a fundamental challenge in many real-world applications. Early exit methods strive towards this goal by attaching additional Internal Classifiers (ICs) to intermediate layers of a neural network. ICs can quickly return predictions for easy examples and, as a result, reduce the average inference time of the whole model. However, if a particular IC does not decide to return an answer early, its predictions are discarded, with its computations effectively being wasted. To solve this issue, we introduce Zero Time Waste (ZTW), a novel approach in which each IC reuses predictions returned by its predecessors by (1) adding direct connections between ICs and (2) combining previous outputs in an ensemble-like manner. We conduct extensive experiments across various datasets and architectures to demonstrate that ZTW achieves a significantly better accuracy vs. inference time trade-off than other recently proposed early exit methods.Comment: Accepted at NeurIPS 202

Relative molecule self-attention transformer

The prediction of molecular properties is a crucial aspect in drug discovery that can save a lot of money and time during the drug design process. The use of machine learning methods to predict molecular properties has become increasingly popular in recent years. Despite advancements in the field, several challenges remain that need to be addressed, like finding an optimal pre-training procedure to improve performance on small datasets, which are common in drug discovery. In our paper, we tackle these problems by introducing Relative Molecule Self-Attention Transformer for molecular representation learning. It is a novel architecture that uses relative self-attention and 3D molecular representation to capture the interactions between atoms and bonds that enrich the backbone model with domain-specific inductive biases. Furthermore, our two-step pretraining procedure allows us to tune only a few hyperparameter values to achieve good performance comparable with state-of-the-art models on a wide selection of downstream tasks

Machine learning-based identification of suicidal risk in patients with schizophrenia using multi-level resting-state fMRI features

Background: Some studies suggest that as much as 40% of all causes of death in a group of patients with schizophrenia can be attributed to suicides and compared with the general population, patients with schizophrenia have an 8.5-fold greater suicide risk (SR). There is a vital need for accurate and reliable methods to predict the SR among patients with schizophrenia based on biological measures. However, it is unknown whether the suicidal risk in schizophrenia can be related to alterations in spontaneous brain activity, or if the resting-state functional magnetic resonance imaging (rsfMRI) measures can be used alongside machine learning (ML) algorithms in order to identify patients with SR. Methods: Fifty-nine participants including patients with schizophrenia with and without SR as well as age and gender-matched healthy underwent 13 min resting-state functional magnetic resonance imaging. Both static and dynamic indexes of the amplitude of low-frequency fluctuation (ALFF), the fractional amplitude of low-frequency fluctuations (fALFF), regional homogeneity as well as functional connectivity (FC) were calculated and used as an input for five machine learning algorithms: Gradient boosting (GB), LASSO, Logistic Regression (LR), Random Forest and Support Vector Machine. Results: All groups revealed different intra-network functional connectivity in ventral DMN and anterior SN. The best performance was reached for the LASSO applied to FC with an accuracy of 70% and AUROC of 0.76 (p < 0.05). Significant classification ability was also reached for GB and LR using fALFF and ALFF measures. Conclusion Our findings suggest that SR in schizophrenia can be seen on the level of DMN and SN functional connectivity alterations. ML algorithms were able to significantly differentiate SR patients. Our results could be useful in developing neuromarkers of SR in schizophrenia based on non-invasive rsfMRI