Deep clustering incorporates embedding into clustering to find a lower-dimensional space appropriate for clustering. In this paper, we propose a novel deep clustering framework with self-supervision using pairwise similarities (DCSS). The proposed method consists of two successive phases. In the first phase, we propose to form hypersphere-like groups of similar data points, i.e. one hypersphere per cluster, employing an autoencoder that is trained using cluster-specific losses. The hyper-spheres are formed in the autoencoder's latent space. In the second phase, we propose to employ pairwise similarities to create a $K$-dimensional space that is capable of accommodating more complex cluster distributions, hence providing more accurate clustering performance. $K$ is the number of clusters. The autoencoder's latent space obtained in the first phase is used as the input of the second phase. The effectiveness of both phases is demonstrated on seven benchmark datasets by conducting a rigorous set of experiments.

Dimensionality Reduction plays a pivotal role in improving feature learning accuracy and reducing training time by eliminating redundant features, noise, and irrelevant data. Nonnegative Matrix Factorization (NMF) has emerged as a popular and powerful method for dimensionality reduction. Despite its extensive use, there remains a need for a comprehensive analysis of NMF in the context of dimensionality reduction. To address this gap, this paper presents a comprehensive survey of NMF, focusing on its applications in both feature extraction and feature selection. We introduce a classification of dimensionality reduction, enhancing understanding of the underlying concepts. Subsequently, we delve into a thorough summary of diverse NMF approaches used for feature extraction and selection. Furthermore, we discuss the latest research trends and potential future directions of NMF in dimensionality reduction, aiming to highlight areas that need further exploration and development.

Transparency and explainability in image classification are essential for establishing trust in machine learning models and detecting biases and errors. State-of-the-art explainability methods generate saliency maps to show where a specific class is identified, without providing a detailed explanation of the model's decision process. Striving to address such a need, we introduce a post-hoc method that explains the entire feature extraction process of a Convolutional Neural Network. These explanations include a layer-wise representation of the features the model extracts from the input. Such features are represented as saliency maps generated by clustering and merging similar feature maps, to which we associate a weight derived by generalizing Grad-CAM for the proposed methodology. To further enhance these explanations, we include a set of textual labels collected through a gamified crowdsourcing activity and processed using NLP techniques and Sentence-BERT. Finally, we show an approach to generate global explanations by aggregating labels across multiple images.

Malware attacks have become significantly more frequent and sophisticated in recent years. Therefore, malware detection and classification are critical components of information security. Due to the large amount of malware samples available, it is essential to categorize malware samples according to their malicious characteristics. Clustering algorithms are thus becoming more widely used in computer security to analyze the behavior of malware variants and discover new malware families. Online clustering algorithms help us to understand malware behavior and produce a quicker response to new threats. This paper introduces a novel machine learning-based model for the online clustering of malicious samples into malware families. Streaming data is divided according to the clustering decision rule into samples from known and new emerging malware families. The streaming data is classified using the weighted k-nearest neighbor classifier into known families, and the online k-means algorithm clusters the remaining streaming data and achieves a purity of clusters from 90.20% for four clusters to 93.34% for ten clusters. This work is based on static analysis of portable executable files for the Windows operating system. Experimental results indicate that the proposed online clustering model can create high-purity clusters corresponding to malware families. This allows malware analysts to receive similar malware samples, speeding up their analysis.

The identification of phenotypes within complex diseases or syndromes is a fundamental component of precision medicine, which aims to adapt healthcare to individual patient characteristics. Postoperative delirium (POD) is a complex neuropsychiatric condition with significant heterogeneity in its clinical manifestations and underlying pathophysiology. We hypothesize that POD comprises several distinct phenotypes, which cannot be directly observed in clinical practice. Identifying these phenotypes could enhance our understanding of POD pathogenesis and facilitate the development of targeted prevention and treatment strategies. In this paper, we propose an approach that combines supervised machine learning for personalized POD risk prediction with unsupervised clustering techniques to uncover potential POD phenotypes. We first demonstrate our approach using synthetic data, where we simulate patient cohorts with predefined phenotypes based on distinct sets of informative features. We aim to mimic any clinical disease with our synthetic data generation method. By training a predictive model and applying SHAP, we show that clustering patients in the SHAP feature importance space successfully recovers the true underlying phenotypes, outperforming clustering in the raw feature space. We then present a case study using real-world data from a cohort of elderly surgical patients. The results showcase the utility of our approach in uncovering clinically relevant subtypes of complex disorders like POD, paving the way for more precise and personalized treatment strategies.

AI agents are commonly trained with large datasets of demonstrations of human behavior. However, not all behaviors are equally safe or desirable. Desired characteristics for an AI agent can be expressed by assigning desirability scores, which we assume are not assigned to individual behaviors but to collective trajectories. For example, in a dataset of vehicle interactions, these scores might relate to the number of incidents that occurred. We first assess the effect of each individual agent's behavior on the collective desirability score, e.g., assessing how likely an agent is to cause incidents. This allows us to selectively imitate agents with a positive effect, e.g., only imitating agents that are unlikely to cause incidents. To enable this, we propose the concept of an agent's Exchange Value, which quantifies an individual agent's contribution to the collective desirability score. The Exchange Value is the expected change in desirability score when substituting the agent for a randomly selected agent. We propose additional methods for estimating Exchange Values from real-world datasets, enabling us to learn desired imitation policies that outperform relevant baselines. Imitating human behaviors from large datasets is a promising technique for achieving human-AI and AI-AI interactions in complex environments (Carroll et al., 2019;, FAIR; He et al., 2023; Shih et al., 2022). However, such large datasets can contain undesirable human behaviors, making direct imitation problematic. Rather than imitating all behaviors, it may be preferable to ensure that AI agents imitate behaviors that align with predefined desirable characteristics. In this work, we assume that desirable characteristics are quantified as desirability scores given for each trajectory in the dataset.

Motion segmentation is a fundamental problem in computer vision and is crucial in various applications such as robotics, autonomous driving and action recognition. Recently, spectral clustering based methods have shown impressive results on motion segmentation in dynamic environments. These methods perform spectral clustering on motion affinity matrices to cluster objects or point trajectories in the scene into different motion groups. However, existing methods often need the number of motions present in the scene to be known, which significantly reduces their practicality. In this paper, we propose a unified model selection technique to automatically infer the number of motion groups for spectral clustering based motion segmentation methods by combining different existing model selection techniques together. We evaluate our method on the KT3DMoSeg dataset and achieve competitve results comparing to the baseline where the number of clusters is given as ground truth information.

Rock mass classification systems are crucial for assessing stability and risk in underground construction globally and guiding support and excavation design. However, systems developed primarily in the 1970s lack access to modern high-resolution data and advanced statistical techniques, limiting their effectiveness as decision-support systems. Initially, we outline the limitations observed in this context and later describe how a data-driven system, based on drilling data as detailed in this study, can overcome these limitations. Using extracted statistical information from thousands of MWD-data values in one-meter sections of a full tunnel profile, thus working as a signature of the rock mass, we have demonstrated that it is possible to form well-defined clusters that can act as a foundational basis for various rock mass classification systems. We reduced the dimensionality of 48-value vectors using nonlinear manifold learning techniques (UMAP) and linear principal component analysis (PCA) to enhance clustering. Unsupervised machine learning methods (HDBSCAN, Agglomerative Clustering, K-means) were employed to cluster the data, with hyperparameters optimised through multi-objective Bayesian optimisation for effective clustering. Using domain knowledge, we experienced improved clustering and system tuning opportunities in adding extra features to core clusters of MWD-data. We structured and correlated these clusters with physical rock mass properties, including labels of rock type and rock quality, and analysed cumulative distributions of key MWD-parameters for rock mass assessment to determine if clusters meaningfully differentiate rock masses. The ability of MWD data to form distinct rock mass clusters suggests substantial potential for future classification systems grounded in this objective, data-driven methodology, free from human bias.

Semi-supervised symmetric non-negative matrix factorization (SNMF) utilizes the available supervisory information (usually in the form of pairwise constraints) to improve the clustering ability of SNMF. The previous methods introduce the pairwise constraints from the local perspective, i.e., they either directly refine the similarity matrix element-wisely or restrain the distance of the decomposed vectors in pairs according to the pairwise constraints, which overlook the global perspective, i.e., in the ideal case, the pairwise constraint matrix and the ideal similarity matrix possess the same low-rank structure. To this end, we first propose a novel semi-supervised SNMF model by seeking low-rank representation for the tensor synthesized by the pairwise constraint matrix and a similarity matrix obtained by the product of the embedding matrix and its transpose, which could strengthen those two matrices simultaneously from a global perspective. We then propose an enhanced SNMF model, making the embedding matrix tailored to the above tensor low-rank representation. We finally refine the similarity matrix by the strengthened pairwise constraints. We repeat the above steps to continuously boost the similarity matrix and pairwise constraint matrix, leading to a high-quality embedding matrix. Extensive experiments substantiate the superiority of our method. The code is available at https://github.com/JinaLeejnl/TSNMF.

Sepsis-induced acute respiratory failure (ARF) is a serious complication with a poor prognosis. This paper presents a deep representation learningbased phenotyping method to identify distinct groups of clinical trajectories of septic patients with ARF. For this retrospective study, we created a dataset from electronic medical records (EMR) consisting of data from sepsis patients admitted to medical intensive care units who required at least 24 hours of invasive mechanical ventilation at a quarternary care academic hospital in southeast USA for the years 2016-2021. A total of N=3349 patient encounters were included in this study. Clustering Representation Learning on Incomplete Time Series Data (CRLI) algorithm was applied to a parsimonious set of EMR variables in this data set. To validate the optimal number of clusters, the K-means algorithm was used in conjunction with dynamic time warping. Our model yielded four distinct patient phenotypes that were characterized as liver dysfunction/heterogeneous, hypercapnia, hypoxemia, and multiple organ dysfunction syndrome by a critical care expert. A Kaplan-Meier analysis to compare the 28-day mortality trends exhibited significant differences (p < 0.005) between the four phenotypes. The study demonstrates the utility of our deep representation learning-based approach in unraveling phenotypes that reflect the heterogeneity in sepsis-induced ARF in terms of different mortality outcomes and severity. These phenotypes might reveal important clinical insights into an effective prognosis and tailored treatment strategies.