Clustering aims to group unlabelled samples based on their similarities. It has become a significant tool for the analysis of high-dimensional data. However, most of the clustering methods merely generate pseudo labels and thus are unable to simultaneously present the similarities between different clusters and outliers. This paper proposes a new framework called High-dimensional Clustering onto Hamiltonian Cycle (HCHC) to solve the above problems. First, HCHC combines global structure with local structure in one objective function for deep clustering, improving the labels as relative probabilities, to mine the similarities between different clusters while keeping the local structure in each cluster. Then, the anchors of different clusters are sorted on the optimal Hamiltonian cycle generated by the cluster similarities and mapped on the circumference of a circle. Finally, a sample with a higher probability of a cluster will be mapped closer to the corresponding anchor. In this way, our framework allows us to appreciate three aspects visually and simultaneously - clusters (formed by samples with high probabilities), cluster similarities (represented as circular distances), and outliers (recognized as dots far away from all clusters). The experiments illustrate the superiority of HCHC.

We consider the problem of clustering data points coming from sub-Gaussian mixtures. Existing methods that provably achieve the optimal mislabeling error, such as the Lloyd algorithm, are usually vulnerable to outliers. In contrast, clustering methods seemingly robust to adversarial perturbations are not known to satisfy the optimal statistical guarantees. We propose a simple algorithm that obtains the optimal mislabeling rate even when we allow adversarial outliers to be present. Our algorithm achieves the optimal error rate in constant iterations when a weak initialization condition is satisfied. In the absence of outliers, in fixed dimensions, our theoretical guarantees are similar to that of the Lloyd algorithm. Extensive experiments on various simulated data sets are conducted to support the theoretical guarantees of our method.

Hierarchical clustering (HC) is the recursive partitioning of a dataset into increasingly smaller clusters via an effective binary tree representation, and has been employed as a standard package in data analysis with widespread applications in practice. Traditional HC algorithms are typically based on agglomerative heuristics and, due to the lack of a clear objective function, there was limited work on their analysis. Dasgupta [Das16] introduced a simple cost function for hierarchical clustering, and this work has inspired a number of algorithmic studies on hierarchical clustering. In this paper we study efficient hierarchical clustering for graphs with a clear structure of clusters.

Bird sound classification is the task of relating any sound recording to those species of bird that can be heard in the recording. Here, we study bird sound clustering, the task of deciding for any pair of sound recordings whether the same species of bird can be heard in both. We address this problem by first learning, from a training set, probabilities of pairs of recordings being related in this way, and then inferring a maximally probable partition of a test set by correlation clustering. We address the following questions: How accurate is this clustering, compared to a classification of the test set? How do the clusters thus inferred relate to the clusters obtained by classification? How accurate is this clustering when applied to recordings of bird species not heard during training? How effective is this clustering in separating, from bird sounds, environmental noise not heard during training?

This paper initiates the study of active learning for exact recovery of partitions exclusively through access to a same-cluster oracle in the presence of bounded adversarial error. We first highlight a novel connection between learning partitions and correlation clustering. Then we use this connection to build a R\'enyi-Ulam style analytical framework for this problem, and prove upper and lower bounds on its worst-case query complexity. Further, we bound the expected performance of a relevant randomized algorithm. Finally, we study the relationship between adaptivity and query complexity for this problem and related variants.

The increasing complexity of data requires methods and models that can effectively handle intricate structures, as simplifying them would result in loss of information. While several analytical tools have been developed to work with complex data objects in their original form, these tools are typically limited to single-type variables. In this work, we propose energy trees as a regression and classification model capable of accommodating structured covariates of various types. Energy trees leverage energy statistics to extend the capabilities of conditional inference trees, from which they inherit sound statistical foundations, interpretability, scale invariance, and freedom from distributional assumptions. We specifically focus on functional and graph-structured covariates, while also highlighting the model's flexibility in integrating other variable types. Extensive simulation studies demonstrate the model's competitive performance in terms of variable selection and robustness to overfitting. Finally, we assess the model's predictive ability through two empirical analyses involving human biological data. Energy trees are implemented in the R package etree.

Graph coarsening is a technique for solving large-scale graph problems by working on a smaller version of the original graph, and possibly interpolating the results back to the original graph. It has a long history in scientific computing and has recently gained popularity in machine learning, particularly in methods that preserve the graph spectrum. This work studies graph coarsening from a different perspective, developing a theory for preserving graph distances and proposing a method to achieve this. The geometric approach is useful when working with a collection of graphs, such as in graph classification and regression. In this study, we consider a graph as an element on a metric space equipped with the Gromov--Wasserstein (GW) distance, and bound the difference between the distance of two graphs and their coarsened versions. Minimizing this difference can be done using the popular weighted kernel $K$-means method, which improves existing spectrum-preserving methods with the proper choice of the kernel. The study includes a set of experiments to support the theory and method, including approximating the GW distance, preserving the graph spectrum, classifying graphs using spectral information, and performing regression using graph convolutional networks. Code is available at https://github.com/ychen-stat-ml/GW-Graph-Coarsening .

The agricultural sector currently faces significant challenges in water resource conservation and crop yield optimization, primarily due to concerns over freshwater scarcity. Traditional irrigation scheduling methods often prove inadequate in meeting the needs of large-scale irrigation systems. To address this issue, this paper proposes a predictive irrigation scheduler that leverages the three paradigms of machine learning to optimize irrigation schedules. The proposed scheduler employs the k-means clustering approach to divide the field into distinct irrigation management zones based on soil hydraulic parameters and topology information. Furthermore, a long short-term memory network is employed to develop dynamic models for each management zone, enabling accurate predictions of soil moisture dynamics. Formulated as a mixed-integer model predictive control problem, the scheduler aims to maximize water uptake while minimizing overall water consumption and irrigation costs. To tackle the mixed-integer optimization challenge, the proximal policy optimization algorithm is utilized to train a reinforcement learning agent responsible for making daily irrigation decisions. To evaluate the performance of the proposed scheduler, a 26.4-hectare field in Lethbridge, Canada, was chosen as a case study for the 2015 and 2022 growing seasons. The results demonstrate the superiority of the proposed scheduler compared to a traditional irrigation scheduling method in terms of water use efficiency and crop yield improvement for both growing seasons. Notably, the proposed scheduler achieved water savings ranging from 6.4% to 22.8%, along with yield increases ranging from 2.3% to 4.3%.

Optimizing building configurations for an efficient use of energy is increasingly receiving attention by current research and several methods have been developed to address this task. Selecting a suitable configuration based on multiple conflicting objectives, such as initial investment cost, recurring cost, robustness with respect to uncertainty of grid operation is, however, a difficult multi-criteria decision making problem. Concept identification can facilitate a decision maker by sorting configuration options into semantically meaningful groups (concepts), further introducing constraints to meet trade-off expectations for a selection of objectives. In this study, for a set of 20000 Pareto-optimal building energy management configurations, resulting from a many-objective evolutionary optimization, multiple concept identification iterations are conducted to provide a basis for making an informed investment decision. In a series of subsequent analysis steps, it is shown how the choice of description spaces, i.e., the partitioning of the features into sets for which consistent and non-overlapping concepts are required, impacts the type of information that can be extracted and that different setups of description spaces illuminate several different aspects of the configuration data - an important aspect that has not been addressed in previous work.

In the pursuit of artificial general intelligence (AGI), we tackle Abstraction and Reasoning Corpus (ARC) tasks using a novel two-pronged approach. We employ the Decision Transformer in an imitation learning paradigm to model human problem-solving, and introduce an object detection algorithm, the Push and Pull clustering method. This dual strategy enhances AI's ARC problem-solving skills and provides insights for AGI progression. Yet, our work reveals the need for advanced data collection tools, robust training datasets, and refined model structures. This study highlights potential improvements for Decision Transformers and propels future AGI research.