Daily Papers

We present 3DRegNet, a novel deep learning architecture for the registration of 3D scans. Given a set of 3D point correspondences, we build a deep neural network to address the following two challenges: (i) classification of the point correspondences into inliers/outliers, and (ii) regression of the motion parameters that align the scans into a common reference frame. With regard to regression, we present two alternative approaches: (i) a Deep Neural Network (DNN) registration and (ii) a Procrustes approach using SVD to estimate the transformation. Our correspondence-based approach achieves a higher speedup compared to competing baselines. We further propose the use of a refinement network, which consists of a smaller 3DRegNet as a refinement to improve the accuracy of the registration. Extensive experiments on two challenging datasets demonstrate that we outperform other methods and achieve state-of-the-art results. The code is available.

Clustering is a NP-hard problem. Thus, no optimal algorithm exists, heuristics are applied to cluster the data. Heuristics can be very resource-intensive, if not applied properly. For substantially large data sets computational efficiencies can be achieved by reducing the input space if a minimal loss of information can be achieved. Clustering algorithms, in general, face two common problems: 1) these converge to different settings with different initial conditions and; 2) the number of clusters has to be arbitrarily decided beforehand. This problem has become critical in the realm of big data. Recently, clustering algorithms have emerged which can speedup computations using parallel processing over the grid but face the aforementioned problems. Goals: Our goals are to find methods to cluster data which: 1) guarantee convergence to the same settings irrespective of the initial conditions; 2) eliminate the need to establish the number of clusters beforehand, and 3) can be applied to cluster large datasets. Methods: We introduce a method that combines probabilistic and combinatorial clustering methods to produce repeatable and compact clusters that are not sensitive to initial conditions. This method harnesses the power of k-means (a combinatorial clustering method) to cluster/partition very large dimensional datasets and uses the Gaussian Mixture Model (a probabilistic clustering method) to validate the k-means partitions. Results: We show that this method produces very compact clusters that are not sensitive to initial conditions. This method can be used to identify the most 'separable' set in a dataset which increases the 'clusterability' of a dataset. This method also eliminates the need to specify the number of clusters in advance.

ProSper is a python library containing probabilistic algorithms to learn dictionaries. Given a set of data points, the implemented algorithms seek to learn the elementary components that have generated the data. The library widens the scope of dictionary learning approaches beyond implementations of standard approaches such as ICA, NMF or standard L1 sparse coding. The implemented algorithms are especially well-suited in cases when data consist of components that combine non-linearly and/or for data requiring flexible prior distributions. Furthermore, the implemented algorithms go beyond standard approaches by inferring prior and noise parameters of the data, and they provide rich a-posteriori approximations for inference. The library is designed to be extendable and it currently includes: Binary Sparse Coding (BSC), Ternary Sparse Coding (TSC), Discrete Sparse Coding (DSC), Maximal Causes Analysis (MCA), Maximum Magnitude Causes Analysis (MMCA), and Gaussian Sparse Coding (GSC, a recent spike-and-slab sparse coding approach). The algorithms are scalable due to a combination of variational approximations and parallelization. Implementations of all algorithms allow for parallel execution on multiple CPUs and multiple machines for medium to large-scale applications. Typical large-scale runs of the algorithms can use hundreds of CPUs to learn hundreds of dictionary elements from data with tens of millions of floating-point numbers such that models with several hundred thousand parameters can be optimized. The library is designed to have minimal dependencies and to be easy to use. It targets users of dictionary learning algorithms and Machine Learning researchers.

We develop a variant of the stochastic prox-linear method for minimizing the Conditional Value-at-Risk (CVaR) objective. CVaR is a risk measure focused on minimizing worst-case performance, defined as the average of the top quantile of the losses. In machine learning, such a risk measure is useful to train more robust models. Although the stochastic subgradient method (SGM) is a natural choice for minimizing the CVaR objective, we show that our stochastic prox-linear (SPL+) algorithm can better exploit the structure of the objective, while still providing a convenient closed form update. Our SPL+ method also adapts to the scaling of the loss function, which allows for easier tuning. We then specialize a general convergence theorem for SPL+ to our setting, and show that it allows for a wider selection of step sizes compared to SGM. We support this theoretical finding experimentally.

Synthesis procedures play a critical role in materials research, as they directly affect material properties. With data-driven approaches increasingly accelerating materials discovery, there is growing interest in extracting synthesis procedures from scientific literature as structured data. However, existing studies often rely on rigid, domain-specific schemas with predefined fields for structuring synthesis procedures or assume that synthesis procedures are linear sequences of operations, which limits their ability to capture the structural complexity of real-world procedures. To address these limitations, we adopt PROV-DM, an international standard for provenance information, which supports flexible, graph-based modeling of procedures. We present MatPROV, a dataset of PROV-DM-compliant synthesis procedures extracted from scientific literature using large language models. MatPROV captures structural complexities and causal relationships among materials, operations, and conditions through visually intuitive directed graphs. This representation enables machine-interpretable synthesis knowledge, opening opportunities for future research such as automated synthesis planning and optimization.

The exponential growth of scientific literature necessitates advanced tools for effective knowledge exploration. We present Knowledge Navigator, a system designed to enhance exploratory search abilities by organizing and structuring the retrieved documents from broad topical queries into a navigable, two-level hierarchy of named and descriptive scientific topics and subtopics. This structured organization provides an overall view of the research themes in a domain, while also enabling iterative search and deeper knowledge discovery within specific subtopics by allowing users to refine their focus and retrieve additional relevant documents. Knowledge Navigator combines LLM capabilities with cluster-based methods to enable an effective browsing method. We demonstrate our approach's effectiveness through automatic and manual evaluations on two novel benchmarks, CLUSTREC-COVID and SCITOC. Our code, prompts, and benchmarks are made publicly available.

Prompt-learning has become a new paradigm in modern natural language processing, which directly adapts pre-trained language models (PLMs) to cloze-style prediction, autoregressive modeling, or sequence to sequence generation, resulting in promising performances on various tasks. However, no standard implementation framework of prompt-learning is proposed yet, and most existing prompt-learning codebases, often unregulated, only provide limited implementations for specific scenarios. Since there are many details such as templating strategy, initializing strategy, and verbalizing strategy, etc. need to be considered in prompt-learning, practitioners face impediments to quickly adapting the desired prompt learning methods to their applications. In this paper, we present {OpenPrompt}, a unified easy-to-use toolkit to conduct prompt-learning over PLMs. OpenPrompt is a research-friendly framework that is equipped with efficiency, modularity, and extendibility, and its combinability allows the freedom to combine different PLMs, task formats, and prompting modules in a unified paradigm. Users could expediently deploy prompt-learning frameworks and evaluate the generalization of them on different NLP tasks without constraints. OpenPrompt is publicly released at { https://github.com/thunlp/OpenPrompt}.

Many clustering schemes are defined by optimizing an objective function defined on the partitions of the underlying set of a finite metric space. In this paper, we construct a framework for studying what happens when we instead impose various structural conditions on the clustering schemes, under the general heading of functoriality. Functoriality refers to the idea that one should be able to compare the results of clustering algorithms as one varies the data set, for example by adding points or by applying functions to it. We show that within this framework, one can prove a theorems analogous to one of J. Kleinberg, in which for example one obtains an existence and uniqueness theorem instead of a non-existence result. We obtain a full classification of all clustering schemes satisfying a condition we refer to as excisiveness. The classification can be changed by varying the notion of maps of finite metric spaces. The conditions occur naturally when one considers clustering as the statistical version of the geometric notion of connected components. By varying the degree of functoriality that one requires from the schemes it is possible to construct richer families of clustering schemes that exhibit sensitivity to density.

Clustering is an unsupervised learning problem that aims to partition unlabelled data points into groups with similar features. Traditional clustering algorithms provide limited insight into the groups they find as their main focus is accuracy and not the interpretability of the group assignments. This has spurred a recent line of work on explainable machine learning for clustering. In this paper we focus on the cluster description problem where, given a dataset and its partition into clusters, the task is to explain the clusters. We introduce a new approach to explain clusters by constructing polyhedra around each cluster while minimizing either the complexity of the resulting polyhedra or the number of features used in the description. We formulate the cluster description problem as an integer program and present a column generation approach to search over an exponential number of candidate half-spaces that can be used to build the polyhedra. To deal with large datasets, we introduce a novel grouping scheme that first forms smaller groups of data points and then builds the polyhedra around the grouped data, a strategy which out-performs simply sub-sampling data. Compared to state of the art cluster description algorithms, our approach is able to achieve competitive interpretability with improved description accuracy.

Spherical k-Means is frequently used to cluster document collections because it performs reasonably well in many settings and is computationally efficient. However, the time complexity increases linearly with the number of clusters k, which limits the suitability of the algorithm for larger values of k depending on the size of the collection. Optimizations targeted at the Euclidean k-Means algorithm largely do not apply because the cosine distance is not a metric. We therefore propose an efficient indexing structure to improve the scalability of Spherical k-Means with respect to k. Our approach exploits the sparsity of the input vectors and the convergence behavior of k-Means to reduce the number of comparisons on each iteration significantly.

3D Gaussian Splatting (3DGS) has emerged as a core technique for 3D representation. Its effectiveness largely depends on precise camera poses and accurate point cloud initialization, which are often derived from pretrained Multi-View Stereo (MVS) models. However, in unposed reconstruction task from hundreds of outdoor images, existing MVS models may struggle with memory limits and lose accuracy as the number of input images grows. To address this limitation, we propose a novel unposed 3DGS reconstruction framework that integrates pretrained MVS priors with the probabilistic Procrustes mapping strategy. The method partitions input images into subsets, maps submaps into a global space, and jointly optimizes geometry and poses with 3DGS. Technically, we formulate the mapping of tens of millions of point clouds as a probabilistic Procrustes problem and solve a closed-form alignment. By employing probabilistic coupling along with a soft dustbin mechanism to reject uncertain correspondences, our method globally aligns point clouds and poses within minutes across hundreds of images. Moreover, we propose a joint optimization framework for 3DGS and camera poses. It constructs Gaussians from confidence-aware anchor points and integrates 3DGS differentiable rendering with an analytical Jacobian to jointly refine scene and poses, enabling accurate reconstruction and pose estimation. Experiments on Waymo and KITTI datasets show that our method achieves accurate reconstruction from unposed image sequences, setting a new state of the art for unposed 3DGS reconstruction.

We identify rare and visually distinctive galaxy populations by searching for structure within the learned representations of pretrained models. We show that these representations arrange galaxies by appearance in patterns beyond those needed to predict the pretraining labels. We design a clustering approach to isolate specific local patterns, revealing groups of galaxies with rare and scientifically-interesting morphologies.

A model involving Gaussian processes (GPs) is introduced to simultaneously handle multi-task learning, clustering, and prediction for multiple functional data. This procedure acts as a model-based clustering method for functional data as well as a learning step for subsequent predictions for new tasks. The model is instantiated as a mixture of multi-task GPs with common mean processes. A variational EM algorithm is derived for dealing with the optimisation of the hyper-parameters along with the hyper-posteriors' estimation of latent variables and processes. We establish explicit formulas for integrating the mean processes and the latent clustering variables within a predictive distribution, accounting for uncertainty on both aspects. This distribution is defined as a mixture of cluster-specific GP predictions, which enhances the performances when dealing with group-structured data. The model handles irregular grid of observations and offers different hypotheses on the covariance structure for sharing additional information across tasks. The performances on both clustering and prediction tasks are assessed through various simulated scenarios and real datasets. The overall algorithm, called MagmaClust, is publicly available as an R package.

Agricultural applications such as yield prediction, precision agriculture and automated harvesting need systems able to infer the crop state from low-cost sensing devices. Proximal sensing using affordable cameras combined with computer vision has seen a promising alternative, strengthened after the advent of convolutional neural networks (CNNs) as an alternative for challenging pattern recognition problems in natural images. Considering fruit growing monitoring and automation, a fundamental problem is the detection, segmentation and counting of individual fruits in orchards. Here we show that for wine grapes, a crop presenting large variability in shape, color, size and compactness, grape clusters can be successfully detected, segmented and tracked using state-of-the-art CNNs. In a test set containing 408 grape clusters from images taken on a trellis-system based vineyard, we have reached an F 1 -score up to 0.91 for instance segmentation, a fine separation of each cluster from other structures in the image that allows a more accurate assessment of fruit size and shape. We have also shown as clusters can be identified and tracked along video sequences recording orchard rows. We also present a public dataset containing grape clusters properly annotated in 300 images and a novel annotation methodology for segmentation of complex objects in natural images. The presented pipeline for annotation, training, evaluation and tracking of agricultural patterns in images can be replicated for different crops and production systems. It can be employed in the development of sensing components for several agricultural and environmental applications.

Self-supervised features are the cornerstone of modern machine learning systems. They are typically pre-trained on data collections whose construction and curation typically require extensive human effort. This manual process has some limitations similar to those encountered in supervised learning, e.g., the crowd-sourced selection of data is costly and time-consuming, preventing scaling the dataset size. In this work, we consider the problem of automatic curation of high-quality datasets for self-supervised pre-training. We posit that such datasets should be large, diverse and balanced, and propose a clustering-based approach for building ones satisfying all these criteria. Our method involves successive and hierarchical applications of k-means on a large and diverse data repository to obtain clusters that distribute uniformly among data concepts, followed by a hierarchical, balanced sampling step from these clusters. Extensive experiments on three different data domains including web-based images, satellite images and text show that features trained on our automatically curated datasets outperform those trained on uncurated data while being on par or better than ones trained on manually curated data.

In this work, we introduce Janus-Pro, an advanced version of the previous work Janus. Specifically, Janus-Pro incorporates (1) an optimized training strategy, (2) expanded training data, and (3) scaling to larger model size. With these improvements, Janus-Pro achieves significant advancements in both multimodal understanding and text-to-image instruction-following capabilities, while also enhancing the stability of text-to-image generation. We hope this work will inspire further exploration in the field. Code and models are publicly available.

Selecting an appropriate clustering method as well as an optimal number of clusters in road accident data is at times confusing and difficult. This paper analyzes shortcomings of different existing techniques applied to cluster accident-prone areas and recommends using Density-Based Spatial Clustering of Applications with Noise (DBSCAN) and Ordering Points To Identify the Clustering Structure (OPTICS) to overcome them. Comparative performance analysis based on real-life data on the recorded cases of road accidents in North Carolina also show more effectiveness and efficiency achieved by these algorithms.

In multi-document summarization (MDS), the input is a cluster of documents, and the output is the cluster summary. In this paper, we focus on pretraining objectives for MDS. Specifically, we introduce a simple pretraining objective of choosing the ROUGE-based centroid of each document cluster as a proxy for its summary. Our objective thus does not require human written summaries and can be used for pretraining on a dataset containing only clusters of documents. Through zero-shot and fully supervised experiments on multiple MDS datasets, we show that our model Centrum is better or comparable to a state-of-the-art model. We release our pretrained and finetuned models at https://github.com/ratishsp/centrum.

Fairness and relevance are two important aspects of recommender systems (RSs). Typically, they are evaluated either (i) separately by individual measures of fairness and relevance, or (ii) jointly using a single measure that accounts for fairness with respect to relevance. However, approach (i) often does not provide a reliable joint estimate of the goodness of the models, as it has two different best models: one for fairness and another for relevance. Approach (ii) is also problematic because these measures tend to be ad-hoc and do not relate well to traditional relevance measures, like NDCG. Motivated by this, we present a new approach for jointly evaluating fairness and relevance in RSs: Distance to Pareto Frontier (DPFR). Given some user-item interaction data, we compute their Pareto frontier for a pair of existing relevance and fairness measures, and then use the distance from the frontier as a measure of the jointly achievable fairness and relevance. Our approach is modular and intuitive as it can be computed with existing measures. Experiments with 4 RS models, 3 re-ranking strategies, and 6 datasets show that existing metrics have inconsistent associations with our Pareto-optimal solution, making DPFR a more robust and theoretically well-founded joint measure for assessing fairness and relevance. Our code: https://github.com/theresiavr/DPFR-recsys-evaluation

Recently, the retrieval models based on dense representations have been gradually applied in the first stage of the document retrieval tasks, showing better performance than traditional sparse vector space models. To obtain high efficiency, the basic structure of these models is Bi-encoder in most cases. However, this simple structure may cause serious information loss during the encoding of documents since the queries are agnostic. To address this problem, we design a method to mimic the queries on each of the documents by an iterative clustering process and represent the documents by multiple pseudo queries (i.e., the cluster centroids). To boost the retrieval process using approximate nearest neighbor search library, we also optimize the matching function with a two-step score calculation procedure. Experimental results on several popular ranking and QA datasets show that our model can achieve state-of-the-art results.

Tangles were originally introduced as a concept to formalize regions of high connectivity in graphs. In recent years, they have also been discovered as a link between structural graph theory and data science: when interpreting similarity in data sets as connectivity between points, finding clusters in the data essentially amounts to finding tangles in the underlying graphs. This paper further explores the potential of tangles in data sets as a means for a formal study of clusters. Real-world data often follow a normal distribution. Accounting for this, we develop a quantitative theory of tangles in data sets drawn from Gaussian mixtures. To this end, we equip the data with a graph structure that models similarity between the points and allows us to apply tangle theory to the data. We provide explicit conditions under which tangles associated with the marginal Gaussian distributions exist asymptotically almost surely. This can be considered as a sufficient formal criterion for the separabability of clusters in the data.

Interpretable models are designed to make decisions in a human-interpretable manner. Representatively, Concept Bottleneck Models (CBM) follow a two-step process of concept prediction and class prediction based on the predicted concepts. CBM provides explanations with high-level concepts derived from concept predictions; thus, reliable concept predictions are important for trustworthiness. In this study, we address the ambiguity issue that can harm reliability. While the existence of a concept can often be ambiguous in the data, CBM predicts concepts deterministically without considering this ambiguity. To provide a reliable interpretation against this ambiguity, we propose Probabilistic Concept Bottleneck Models (ProbCBM). By leveraging probabilistic concept embeddings, ProbCBM models uncertainty in concept prediction and provides explanations based on the concept and its corresponding uncertainty. This uncertainty enhances the reliability of the explanations. Furthermore, as class uncertainty is derived from concept uncertainty in ProbCBM, we can explain class uncertainty by means of concept uncertainty. Code is publicly available at https://github.com/ejkim47/prob-cbm.

Clinical diagnosis is critical in medical practice, typically requiring a continuous and evolving process that includes primary diagnosis, differential diagnosis, and final diagnosis. However, most existing clinical diagnostic tasks are single-step processes, which does not align with the complex multi-step diagnostic procedures found in real-world clinical settings. In this paper, we propose a multi-step diagnostic task and annotate a clinical diagnostic dataset (MSDiagnosis). This dataset includes primary diagnosis, differential diagnosis, and final diagnosis questions. Additionally, we propose a novel and effective framework. This framework combines forward inference, backward inference, reflection, and refinement, enabling the LLM to self-evaluate and adjust its diagnostic results. To assess the effectiveness of our proposed method, we design and conduct extensive experiments. The experimental results demonstrate the effectiveness of the proposed method. We also provide a comprehensive experimental analysis and suggest future research directions for this task.

Generalist foundation models such as GPT-4 have displayed surprising capabilities in a wide variety of domains and tasks. Yet, there is a prevalent assumption that they cannot match specialist capabilities of fine-tuned models. For example, most explorations to date on medical competency benchmarks have leveraged domain-specific training, as exemplified by efforts on BioGPT and Med-PaLM. We build on a prior study of GPT-4's capabilities on medical challenge benchmarks in the absence of special training. Rather than using simple prompting to highlight the model's out-of-the-box capabilities, we perform a systematic exploration of prompt engineering. We find that prompting innovation can unlock deeper specialist capabilities and show that GPT-4 easily tops prior leading results for medical benchmarks. The prompting methods we explore are general purpose, and make no specific use of domain expertise, removing the need for expert-curated content. Our experimental design carefully controls for overfitting during the prompt engineering process. We introduce Medprompt, based on a composition of several prompting strategies. With Medprompt, GPT-4 achieves state-of-the-art results on all nine of the benchmark datasets in the MultiMedQA suite. The method outperforms leading specialist models such as Med-PaLM 2 by a significant margin with an order of magnitude fewer calls to the model. Steering GPT-4 with Medprompt achieves a 27% reduction in error rate on the MedQA dataset over the best methods to date achieved with specialist models and surpasses a score of 90% for the first time. Beyond medical problems, we show the power of Medprompt to generalize to other domains and provide evidence for the broad applicability of the approach via studies of the strategy on exams in electrical engineering, machine learning, philosophy, accounting, law, nursing, and clinical psychology.

Burrows' Delta was introduced in 2002 and has proven to be an effective tool for author attribution. Despite the fact that these are different languages, they mostly belong to the same grammatical type and use the same graphic principle to convey speech in writing: a phonemic alphabet with word separation using spaces. The question I want to address in this article is how well this attribution method works with texts in a language with a different grammatical structure and a script based on different principles. There are fewer studies analyzing the effectiveness of the Delta method on Chinese texts than on texts in European languages. I believe that such a low level of attention to Delta from sinologists is due to the structure of the scientific field dedicated to medieval Chinese poetry. Clustering based on intertextual distances worked flawlessly. Delta produced results where clustering showed that the samples of one author were most similar to each other, and Delta never confused different poets. Despite the fact that I used an unconventional approach and applied the Delta method to a language poorly suited for it, the method demonstrated its effectiveness. Tang dynasty poets are correctly identified using Delta, and the empirical pattern observed for authors writing in European standard languages has been confirmed once again.

Often we wish to predict a large number of variables that depend on each other as well as on other observed variables. Structured prediction methods are essentially a combination of classification and graphical modeling, combining the ability of graphical models to compactly model multivariate data with the ability of classification methods to perform prediction using large sets of input features. This tutorial describes conditional random fields, a popular probabilistic method for structured prediction. CRFs have seen wide application in natural language processing, computer vision, and bioinformatics. We describe methods for inference and parameter estimation for CRFs, including practical issues for implementing large scale CRFs. We do not assume previous knowledge of graphical modeling, so this tutorial is intended to be useful to practitioners in a wide variety of fields.

The PRObabilistic Value-Added Bright Galaxy Survey (PROVABGS) catalog will provide measurements of galaxy properties, such as stellar mass (M_*), star formation rate ({rm SFR}), stellar metallicity (Z_{rm MW}), and stellar age (t_{rm age, MW}), for >10 million galaxies of the DESI Bright Galaxy Survey. Full posterior distributions of the galaxy properties will be inferred using state-of-the-art Bayesian spectral energy distribution (SED) modeling of DESI spectroscopy and Legacy Surveys photometry. In this work, we present the SED model, Bayesian inference framework, and methodology of PROVABGS. Furthermore, we apply the PROVABGS SED modeling on realistic synthetic DESI spectra and photometry, constructed using the L-GALAXIES semi-analytic model. We compare the inferred galaxy properties to the true galaxy properties of the simulation using a hierarchical Bayesian framework to quantify accuracy and precision. Overall, we accurately infer the true M_*, {rm SFR}, Z_{rm MW}, and t_{rm age, MW} of the simulated galaxies. However, the priors on galaxy properties induced by the SED model have a significant impact on the posteriors. They impose a {rm SFR}{>}10^{-1} M_odot/{rm yr} lower bound on {rm SFR}, a {sim}0.3 dex bias on log Z_{rm MW} for galaxies with low spectral signal-to-noise, and t_{rm age, MW} < 8,{rm Gyr} upper bound on stellar age. This work also demonstrates that a joint analysis of spectra and photometry significantly improves the constraints on galaxy properties over photometry alone and is necessary to mitigate the impact of the priors. With the methodology presented and validated in this work, PROVABGS will maximize information extracted from DESI observations and provide a probabilistic value-added galaxy catalog that will extend current galaxy studies to new regimes and unlock cutting-edge probabilistic analyses.

The emergence of powerful, general-purpose omnimodels capable of processing diverse data modalities has raised a critical question: can these ``jack-of-all-trades'' systems perform on par with highly specialized models in knowledge-intensive domains? This work investigates this question within the high-stakes field of medical image segmentation. We conduct a comparative study analyzing the zero-shot performance of a state-of-the-art omnimodel (Gemini 2.5 Pro, the ``Nano Banana'' model) against domain-specific deep learning models on three distinct tasks: polyp (endoscopy), retinal vessel (fundus), and breast tumor segmentation (ultrasound). Our study focuses on performance at the extremes by curating subsets of the ``easiest'' and ``hardest'' cases based on the specialist models' accuracy. Our findings reveal a nuanced and task-dependent landscape. For polyp and breast tumor segmentation, specialist models excel on easy samples, but the omnimodel demonstrates greater robustness on hard samples where specialists fail catastrophically. Conversely, for the fine-grained task of retinal vessel segmentation, the specialist model maintains superior performance across both easy and hard cases. Intriguingly, qualitative analysis suggests omnimodels may possess higher sensitivity, identifying subtle anatomical features missed by human annotators. Our results indicate that while current omnimodels are not yet a universal replacement for specialists, their unique strengths suggest a potential complementary role with specialist models, particularly in enhancing robustness on challenging edge cases.

There are several applications of stochastic optimization where one can benefit from a robust estimate of the gradient. For example, domains such as distributed learning with corrupted nodes, the presence of large outliers in the training data, learning under privacy constraints, or even heavy-tailed noise due to the dynamics of the algorithm itself. Here we study SGD with robust gradient estimators based on estimating the median. We first consider computing the median gradient across samples, and show that the resulting method can converge even under heavy-tailed, state-dependent noise. We then derive iterative methods based on the stochastic proximal point method for computing the geometric median and generalizations thereof. Finally we propose an algorithm estimating the median gradient across iterations, and find that several well known methods - in particular different forms of clipping - are particular cases of this framework.

Large language models (LLMs) are increasingly employed for complex multi-step planning tasks, where the tool retrieval (TR) step is crucial for achieving successful outcomes. Two prevalent approaches for TR are single-step retrieval, which utilizes the complete query, and sequential retrieval using task decomposition (TD), where a full query is segmented into discrete atomic subtasks. While single-step retrieval lacks the flexibility to handle "inter-tool dependency," the TD approach necessitates maintaining "subtask-tool atomicity alignment," as the toolbox can evolve dynamically. To address these limitations, we introduce the Progressive Tool retrieval to Improve Planning (ProTIP) framework. ProTIP is a lightweight, contrastive learning-based framework that implicitly performs TD without the explicit requirement of subtask labels, while simultaneously maintaining subtask-tool atomicity. On the ToolBench dataset, ProTIP outperforms the ChatGPT task decomposition-based approach by a remarkable margin, achieving a 24% improvement in Recall@K=10 for TR and a 41% enhancement in tool accuracy for plan generation.

Preparing high-quality datasets required by various data-driven AI and machine learning models has become a cornerstone task in data-driven analysis. Conventional data discovery methods typically integrate datasets towards a single pre-defined quality measure that may lead to bias for downstream tasks. This paper introduces MODis, a framework that discovers datasets by optimizing multiple user-defined, model-performance measures. Given a set of data sources and a model, MODis selects and integrates data sources into a skyline dataset, over which the model is expected to have the desired performance in all the performance measures. We formulate MODis as a multi-goal finite state transducer, and derive three feasible algorithms to generate skyline datasets. Our first algorithm adopts a "reduce-from-universal" strategy, that starts with a universal schema and iteratively prunes unpromising data. Our second algorithm further reduces the cost with a bi-directional strategy that interleaves data augmentation and reduction. We also introduce a diversification algorithm to mitigate the bias in skyline datasets. We experimentally verify the efficiency and effectiveness of our skyline data discovery algorithms, and showcase their applications in optimizing data science pipelines.

We present a new regular grid search algorithm for quick fixed-radius nearest-neighbor lookup developed in Python. This module indexes a set of k-dimensional points in a regular grid, with optional periodic conditions, providing a fast approach for nearest neighbors queries. In this first installment we provide three types of queries: bubble, shell and the nth-nearest; as well as three different metrics of interest in astronomy: the euclidean and two distance functions in spherical coordinates of varying precision, haversine and Vincenty; and the possibility of providing a custom distance function. This package results particularly useful for large datasets where a brute-force search turns impractical.

Accurate prostate cancer diagnosis remains challenging. Even when using MRI, radiologists exhibit low specificity and significant inter-observer variability, leading to potential delays or inaccuracies in identifying clinically significant cancers. This leads to numerous unnecessary biopsies and risks of missing clinically significant cancers. Here we present prostate vision contrastive network (ProViCNet), prostate organ-specific vision foundation models for Magnetic Resonance Imaging (MRI) and Trans-Rectal Ultrasound imaging (TRUS) for comprehensive cancer detection. ProViCNet was trained and validated using 4,401 patients across six institutions, as a prostate cancer detection model on radiology images relying on patch-level contrastive learning guided by biopsy confirmed radiologist annotations. ProViCNet demonstrated consistent performance across multiple internal and external validation cohorts with area under the receiver operating curve values ranging from 0.875 to 0.966, significantly outperforming radiologists in the reader study (0.907 versus 0.805, p<0.001) for mpMRI, while achieving 0.670 to 0.740 for TRUS. We also integrated ProViCNet with standard PSA to develop a virtual screening test, and we showed that we can maintain the high sensitivity for detecting clinically significant cancers while more than doubling specificity from 15% to 38% (p<0.001), thereby substantially reducing unnecessary biopsies. These findings highlight that ProViCNet's potential for enhancing prostate cancer diagnosis accuracy and reduce unnecessary biopsies, thereby optimizing diagnostic pathways.

In statistics, independent, identically distributed random samples do not carry a natural ordering, and their statistics are typically invariant with respect to permutations of their order. Thus, an n-sample in a space M can be considered as an element of the quotient space of M^n modulo the permutation group. The present paper takes this definition of sample space and the related concept of orbit types as a starting point for developing a geometric perspective on statistics. We aim at deriving a general mathematical setting for studying the behavior of empirical and population means in spaces ranging from smooth Riemannian manifolds to general stratified spaces. We fully describe the orbifold and path-metric structure of the sample space when M is a manifold or path-metric space, respectively. These results are non-trivial even when M is Euclidean. We show that the infinite sample space exists in a Gromov-Hausdorff type sense and coincides with the Wasserstein space of probability distributions on M. We exhibit Fr\'echet means and k-means as metric projections onto 1-skeleta or k-skeleta in Wasserstein space, and we define a new and more general notion of polymeans. This geometric characterization via metric projections applies equally to sample and population means, and we use it to establish asymptotic properties of polymeans such as consistency and asymptotic normality.

This paper develops a hierarchical clustering algorithm for weighted projective spaces P_{q}, utilizing a Finsler metric d_F([z], [w]) and its rational analogue d_{F,Q}([z], [w]) to define distances that preserve the non-Euclidean geometry of these quotient manifolds. Defined via geodesic integrals of a scaling invariant Finsler norm weighted by the grades q = (q_0, q_1, dots, q_n), these metrics satisfy true metric properties including the triangle inequality, overcoming the limitations of the non-metric dissimilarity measure from prior work.

Recent approaches for predicting layouts from 360 panoramas produce excellent results. These approaches build on a common framework consisting of three steps: a pre-processing step based on edge-based alignment, prediction of layout elements, and a post-processing step by fitting a 3D layout to the layout elements. Until now, it has been difficult to compare the methods due to multiple different design decisions, such as the encoding network (e.g. SegNet or ResNet), type of elements predicted (e.g. corners, wall/floor boundaries, or semantic segmentation), or method of fitting the 3D layout. To address this challenge, we summarize and describe the common framework, the variants, and the impact of the design decisions. For a complete evaluation, we also propose extended annotations for the Matterport3D dataset [3], and introduce two depth-based evaluation metrics.

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.

Document clustering is a text mining technique used to provide better document search and browsing in digital libraries or online corpora. A lot of research has been done on biomedical document clustering that is based on using existing ontology. But, associations and co-occurrences of the medical concepts are not well represented by using ontology. In this research, a vector representation of concepts of diseases and similarity measurement between concepts are proposed. They identify the closest concepts of diseases in the context of a corpus. Each document is represented by using the vector space model. A weight scheme is proposed to consider both local content and associations between concepts. A Self-Organizing Map is used as document clustering algorithm. The vector projection and visualization features of SOM enable visualization and analysis of the clusters distributions and relationships on the two dimensional space. The experimental results show that the proposed document clustering framework generates meaningful clusters and facilitate visualization of the clusters based on the concepts of diseases.

Aphid infestations are one of the primary causes of extensive damage to wheat and sorghum fields and are one of the most common vectors for plant viruses, resulting in significant agricultural yield losses. To address this problem, farmers often employ the inefficient use of harmful chemical pesticides that have negative health and environmental impacts. As a result, a large amount of pesticide is wasted on areas without significant pest infestation. This brings to attention the urgent need for an intelligent autonomous system that can locate and spray sufficiently large infestations selectively within the complex crop canopies. We have developed a large multi-scale dataset for aphid cluster detection and segmentation, collected from actual sorghum fields and meticulously annotated to include clusters of aphids. Our dataset comprises a total of 54,742 image patches, showcasing a variety of viewpoints, diverse lighting conditions, and multiple scales, highlighting its effectiveness for real-world applications. In this study, we trained and evaluated four real-time semantic segmentation models and three object detection models specifically for aphid cluster segmentation and detection. Considering the balance between accuracy and efficiency, Fast-SCNN delivered the most effective segmentation results, achieving 80.46% mean precision, 81.21% mean recall, and 91.66 frames per second (FPS). For object detection, RT-DETR exhibited the best overall performance with a 61.63% mean average precision (mAP), 92.6% mean recall, and 72.55 on an NVIDIA V100 GPU. Our experiments further indicate that aphid cluster segmentation is more suitable for assessing aphid infestations than using detection models.

We consider the problem of constructing small coresets for k-Median in Euclidean spaces. Given a large set of data points Psubset R^d, a coreset is a much smaller set Ssubset R^d, so that the k-Median costs of any k centers w.r.t. P and S are close. Existing literature mainly focuses on the high-dimension case and there has been great success in obtaining dimension-independent bounds, whereas the case for small d is largely unexplored. Considering many applications of Euclidean clustering algorithms are in small dimensions and the lack of systematic studies in the current literature, this paper investigates coresets for k-Median in small dimensions. For small d, a natural question is whether existing near-optimal dimension-independent bounds can be significantly improved. We provide affirmative answers to this question for a range of parameters. Moreover, new lower bound results are also proved, which are the highest for small d. In particular, we completely settle the coreset size bound for 1-d k-Median (up to log factors). Interestingly, our results imply a strong separation between 1-d 1-Median and 1-d 2-Median. As far as we know, this is the first such separation between k=1 and k=2 in any dimension.

In clinical radiology reports, doctors capture important information about the patient's health status. They convey their observations from raw medical imaging data about the inner structures of a patient. As such, formulating reports requires medical experts to possess wide-ranging knowledge about anatomical regions with their normal, healthy appearance as well as the ability to recognize abnormalities. This explicit grasp on both the patient's anatomy and their appearance is missing in current medical image-processing systems as annotations are especially difficult to gather. This renders the models to be narrow experts e.g. for identifying specific diseases. In this work, we recover this missing link by adding human anatomy into the mix and enable the association of content in medical reports to their occurrence in associated imagery (medical phrase grounding). To exploit anatomical structures in this scenario, we present a sophisticated automatic pipeline to gather and integrate human bodily structures from computed tomography datasets, which we incorporate in our PAXRay: A Projected dataset for the segmentation of Anatomical structures in X-Ray data. Our evaluation shows that methods that take advantage of anatomical information benefit heavily in visually grounding radiologists' findings, as our anatomical segmentations allow for up to absolute 50% better grounding results on the OpenI dataset as compared to commonly used region proposals. The PAXRay dataset is available at https://constantinseibold.github.io/paxray/.

Principal Component Analysis (PCA) is a popular tool for dimensionality reduction and feature extraction in data analysis. There is a probabilistic version of PCA, known as Probabilistic PCA (PPCA). However, standard PCA and PPCA are not robust, as they are sensitive to outliers. To alleviate this problem, this paper introduces the Self-Paced Learning mechanism into PPCA, and proposes a novel method called Self-Paced Probabilistic Principal Component Analysis (SP-PPCA). Furthermore, we design the corresponding optimization algorithm based on the alternative search strategy and the expectation-maximization algorithm. SP-PPCA looks for optimal projection vectors and filters out outliers iteratively. Experiments on both synthetic problems and real-world datasets clearly demonstrate that SP-PPCA is able to reduce or eliminate the impact of outliers.

To characterize the location (mean, median) of a set of graphs, one needs a notion of centrality that is adapted to metric spaces, since graph sets are not Euclidean spaces. A standard approach is to consider the Frechet mean. In this work, we equip a set of graphs with the pseudometric defined by the norm between the eigenvalues of their respective adjacency matrix. Unlike the edit distance, this pseudometric reveals structural changes at multiple scales, and is well adapted to studying various statistical problems for graph-valued data. We describe an algorithm to compute an approximation to the sample Frechet mean of a set of undirected unweighted graphs with a fixed size using this pseudometric.

k-Clustering in R^d (e.g., k-median and k-means) is a fundamental machine learning problem. While near-linear time approximation algorithms were known in the classical setting for a dataset with cardinality n, it remains open to find sublinear-time quantum algorithms. We give quantum algorithms that find coresets for k-clustering in R^d with O(nkd^{3/2}) query complexity. Our coreset reduces the input size from n to poly(kepsilon^{-1}d), so that existing alpha-approximation algorithms for clustering can run on top of it and yield (1 + epsilon)alpha-approximation. This eventually yields a quadratic speedup for various k-clustering approximation algorithms. We complement our algorithm with a nearly matching lower bound, that any quantum algorithm must make Omega(nk) queries in order to achieve even O(1)-approximation for k-clustering.

In this paper, we propose ProTracker, a novel framework for robust and accurate long-term dense tracking of arbitrary points in videos. The key idea of our method is incorporating probabilistic integration to refine multiple predictions from both optical flow and semantic features for robust short-term and long-term tracking. Specifically, we integrate optical flow estimations in a probabilistic manner, producing smooth and accurate trajectories by maximizing the likelihood of each prediction. To effectively re-localize challenging points that disappear and reappear due to occlusion, we further incorporate long-term feature correspondence into our flow predictions for continuous trajectory generation. Extensive experiments show that ProTracker achieves the state-of-the-art performance among unsupervised and self-supervised approaches, and even outperforms supervised methods on several benchmarks. Our code and model will be publicly available upon publication.

This presentation focuses on the importance of web crawling and page ranking algorithms in dealing with the massive amount of data present on the World Wide Web. As the web continues to grow exponentially, efficient search and retrieval methods become crucial. Web crawling is a process that converts unstructured data into structured data, enabling effective information retrieval. Additionally, page ranking algorithms play a significant role in assessing the quality and popularity of web pages. The presentation explores the background of these algorithms and evaluates five different crawling algorithms: Shark Search, Priority-Based Queue, Naive Bayes, Breadth-First, and Depth-First. The goal is to identify the most effective algorithm for crawling web pages. By understanding these algorithms, we can enhance our ability to navigate the web and extract valuable information efficiently.

This work delved into the realm of automatic text generation, exploring a variety of techniques ranging from traditional deterministic approaches to more modern stochastic methods. Through analysis of greedy search, beam search, top-k sampling, top-p sampling, contrastive searching, and locally typical searching, this work has provided valuable insights into the strengths, weaknesses, and potential applications of each method. Each text-generating method is evaluated using several standard metrics and a comparative study has been made on the performance of the approaches. Finally, some future directions of research in the field of automatic text generation are also identified.

This technical report presents Prithvi-EO-2.0, a new geospatial foundation model that offers significant improvements over its predecessor, Prithvi-EO-1.0. Trained on 4.2M global time series samples from NASA's Harmonized Landsat and Sentinel-2 data archive at 30m resolution, the new 300M and 600M parameter models incorporate temporal and location embeddings for enhanced performance across various geospatial tasks. Through extensive benchmarking with GEO-Bench, the 600M version outperforms the previous Prithvi-EO model by 8\% across a range of tasks. It also outperforms six other geospatial foundation models when benchmarked on remote sensing tasks from different domains and resolutions (i.e. from 0.1m to 15m). The results demonstrate the versatility of the model in both classical earth observation and high-resolution applications. Early involvement of end-users and subject matter experts (SMEs) are among the key factors that contributed to the project's success. In particular, SME involvement allowed for constant feedback on model and dataset design, as well as successful customization for diverse SME-led applications in disaster response, land use and crop mapping, and ecosystem dynamics monitoring. Prithvi-EO-2.0 is available on Hugging Face and IBM terratorch, with additional resources on GitHub. The project exemplifies the Trusted Open Science approach embraced by all involved organizations.

Boolean query construction is often critical for medical systematic review literature search. To create an effective Boolean query, systematic review researchers typically spend weeks coming up with effective query terms and combinations. One challenge to creating an effective systematic review Boolean query is the selection of effective MeSH Terms to include in the query. In our previous work, we created neural MeSH term suggestion methods and compared them to state-of-the-art MeSH term suggestion methods. We found neural MeSH term suggestion methods to be highly effective. In this demonstration, we build upon our previous work by creating (1) a Web-based MeSH term suggestion prototype system that allows users to obtain suggestions from a number of underlying methods and (2) a Python library that implements ours and others' MeSH term suggestion methods and that is aimed at researchers who want to further investigate, create or deploy such type of methods. We describe the architecture of the web-based system and how to use it for the MeSH term suggestion task. For the Python library, we describe how the library can be used for advancing further research and experimentation, and we validate the results of the methods contained in the library on standard datasets. Our web-based prototype system is available at http://ielab-mesh-suggest.uqcloud.net, while our Python library is at https://github.com/ielab/meshsuggestlib.

Standard methods for detecting discontinuities in conditional means are not applicable to outcomes that are complex, non-Euclidean objects like distributions, networks, or covariance matrices. This article develops a nonparametric test for jumps in conditional means when outcomes lie in a non-Euclidean metric space. Using local Fr\'echet regressionx2014which generalizes standard regression to metric-space valued datax2014the method estimates a mean path on either side of a candidate cutoff, extending existing k-sample tests to a flexible regression setting. Key theoretical contributions include a central limit theorem for the local estimator of the conditional Fr\'echet variance and the asymptotic validity and consistency of the proposed test. Simulations confirm nominal size control and robust power in finite samples. Two applications demonstrate the method's value by revealing effects invisible to scalar-based tests. First, I detect a sharp change in work-from-home compositions at Washington State's income threshold for non-compete enforceability during COVID-19, highlighting remote work's role as a bargaining margin. Second, I find that countries restructure their input-output networks after losing preferential US trade access. These findings underscore that analyzing regression functions within their native metric spaces can reveal structural discontinuities that scalar summaries would miss.

In this paper we demonstrate how sub-Riemannian geometry can be used for manifold learning and surface reconstruction by combining local linear approximations of a point cloud to obtain lower dimensional bundles. Local approximations obtained by local PCAs are collected into a rank k tangent subbundle on R^d, k<d, which we call a principal subbundle. This determines a sub-Riemannian metric on R^d. We show that sub-Riemannian geodesics with respect to this metric can successfully be applied to a number of important problems, such as: explicit construction of an approximating submanifold M, construction of a representation of the point-cloud in R^k, and computation of distances between observations, taking the learned geometry into account. The reconstruction is guaranteed to equal the true submanifold in the limit case where tangent spaces are estimated exactly. Via simulations, we show that the framework is robust when applied to noisy data. Furthermore, the framework generalizes to observations on an a priori known Riemannian manifold.

In the light of the COVID-19 pandemic, deep learning methods have been widely investigated in detecting COVID-19 from chest X-rays. However, a more pragmatic approach to applying AI methods to a medical diagnosis is designing a framework that facilitates human-machine interaction and expert decision making. Studies have shown that categorization can play an essential rule in accelerating real-world decision making. Inspired by descriptive document clustering, we propose a domain-independent explanatory clustering framework to group contextually related instances and support radiologists' decision making. While most descriptive clustering approaches employ domain-specific characteristics to form meaningful clusters, we focus on model-level explanation as a more general-purpose element of every learning process to achieve cluster homogeneity. We employ DeepSHAP to generate homogeneous clusters in terms of disease severity and describe the clusters using favorable and unfavorable saliency maps, which visualize the class discriminating regions of an image. These human-interpretable maps complement radiologist knowledge to investigate the whole cluster at once. Besides, as part of this study, we evaluate a model based on VGG-19, which can identify COVID and pneumonia cases with a positive predictive value of 95% and 97%, respectively, comparable to the recent explainable approaches for COVID diagnosis.

Magnitude of a finite metric space and the related notion of magnitude functions on metric spaces is an active area of research in algebraic topology. Magnitude originally arose in the context of biology, where it represents the number of effective species in an environment; when applied to a one-parameter family of metric spaces tX with scale parameter t, the magnitude captures much of the underlying geometry of the space. Prior work has mostly focussed on properties of magnitude in a global sense; in this paper we restrict the sets to finite subsets of Euclidean space and investigate its individual components. We give an explicit formula for the corrected inclusion-exclusion principle, and define a quantity associated with each point, called the moment which gives an intrinsic ordering to the points. We exploit this in order to form an algorithm which approximates the convex hull.

Chain-of-Thought (CoT) prompting reveals that large language models are capable of performing complex reasoning via intermediate steps. CoT prompting is primarily categorized into three approaches. The first approach utilizes straightforward prompts like ``Let's think step by step'' to generate a sequential thought process before yielding an answer. The second approach makes use of human-crafted, step-by-step demonstrations to guide the model's reasoning process. The third automates the generation of reasoned demonstrations with the 'Let's think step by step'.This approach sometimes leads to reasoning errors, highlighting the need to diversify demonstrations to mitigate its misleading effects. However, diverse demonstrations pose challenges for effective representations. In this work, we propose ECHO, a self-harmonized chain-of-thought prompting method. It consolidates diverse solution paths into a uniform and effective solution pattern.ECHO demonstrates the best overall performance across three reasoning domains.

Score-based generative models (SGMs) are a powerful class of generative models that exhibit remarkable empirical performance. Score-based generative modelling (SGM) consists of a ``noising'' stage, whereby a diffusion is used to gradually add Gaussian noise to data, and a generative model, which entails a ``denoising'' process defined by approximating the time-reversal of the diffusion. Existing SGMs assume that data is supported on a Euclidean space, i.e. a manifold with flat geometry. In many domains such as robotics, geoscience or protein modelling, data is often naturally described by distributions living on Riemannian manifolds and current SGM techniques are not appropriate. We introduce here Riemannian Score-based Generative Models (RSGMs), a class of generative models extending SGMs to Riemannian manifolds. We demonstrate our approach on a variety of manifolds, and in particular with earth and climate science spherical data.

Statistics of grain sizes and orientations in metals correlate to the material's mechanical properties. Reproducing representative volume elements for further analysis of deformation and failure in metals, like 316L stainless steel, is particularly important due to their wide use in manufacturing goods today. Two approaches, initially created for video games, were considered for the procedural generation of representative grain microstructures. The first is the Wave Function Collapse (WFC) algorithm, and the second is constraint propagation and probabilistic inference through Markov Junior, a free and open-source software. This study aimed to investigate these two algorithms' effectiveness in using reference electron backscatter diffraction (EBSD) maps and recreating a statistically similar one that could be used in further research. It utilized two stainless steel EBSD maps as references to test both algorithms. First, the WFC algorithm was too constricting and, thus, incapable of producing images that resembled EBSDs. The second, MarkovJunior, was much more effective in creating a Voronoi tessellation that could be used to create an EBSD map in Python. When comparing the results between the reference and the generated EBSD, we discovered that the orientation and volume fractions were extremely similar. With the study, it was concluded that MarkovJunior is an effective machine learning tool that can reproduce representative grain microstructures.

Personalized retrieval and segmentation aim to locate specific instances within a dataset based on an input image and a short description of the reference instance. While supervised methods are effective, they require extensive labeled data for training. Recently, self-supervised foundation models have been introduced to these tasks showing comparable results to supervised methods. However, a significant flaw in these models is evident: they struggle to locate a desired instance when other instances within the same class are presented. In this paper, we explore text-to-image diffusion models for these tasks. Specifically, we propose a novel approach called PDM for Personalized Features Diffusion Matching, that leverages intermediate features of pre-trained text-to-image models for personalization tasks without any additional training. PDM demonstrates superior performance on popular retrieval and segmentation benchmarks, outperforming even supervised methods. We also highlight notable shortcomings in current instance and segmentation datasets and propose new benchmarks for these tasks.

The Euclid satellite is an ESA mission that was launched in July 2023. \Euclid is working in its regular observing mode with the target of observing an area of 14,000~deg^2 with two instruments, the Visible Camera (VIS) and the Near IR Spectrometer and Photometer (NISP) down to I_{rm E} = 24.5~mag (10, sigma) in the Euclid Wide Survey. Ground-based imaging data in the ugriz bands complement the \Euclid data to enable photo-z determination and VIS PSF modeling for week lensing analysis. Euclid investigates the distance-redshift relation and the evolution of cosmic structures by measuring shapes and redshifts of galaxies and clusters of galaxies out to zsim 2. Generating the multi-wavelength catalogues from \Euclid and ground-based data is an essential part of the \Euclid data processing system. In the framework of the \Euclid Science Ground Segment (SGS), the aim of the MER Processing Function (PF) pipeline is to detect objects in the \Euclid imaging data, measure their properties, and MERge them into a single multi-wavelength catalogue. The MER PF pipeline performs source detection on both visible (VIS) and near-infrared (NIR) images and offers four different photometric measurements: Kron total flux, aperture photometry on PSF-matched images, template fitting photometry, and S\'ersic fitting photometry. Furthermore, the MER PF pipeline measures a set of ancillary quantities, spanning from morphology to quality flags, to better characterise all detected sources. In this paper, we show how the MER PF pipeline is designed, detailing its main steps, and we show that the pipeline products meet the tight requirements that Euclid aims to achieve on photometric accuracy. We also present the other measurements (e.g. morphology) that are included in the OU-MER output catalogues and we list all output products coming out of the MER PF pipeline.

Clustering non-Euclidean data is difficult, and one of the most used algorithms besides hierarchical clustering is the popular algorithm Partitioning Around Medoids (PAM), also simply referred to as k-medoids clustering. In Euclidean geometry the mean-as used in k-means-is a good estimator for the cluster center, but this does not exist for arbitrary dissimilarities. PAM uses the medoid instead, the object with the smallest dissimilarity to all others in the cluster. This notion of centrality can be used with any (dis-)similarity, and thus is of high relevance to many domains and applications. A key issue with PAM is its high run time cost. We propose modifications to the PAM algorithm that achieve an O(k)-fold speedup in the second ("SWAP") phase of the algorithm, but will still find the same results as the original PAM algorithm. If we relax the choice of swaps performed (while retaining comparable quality), we can further accelerate the algorithm by eagerly performing additional swaps in each iteration. With the substantially faster SWAP, we can now explore faster initialization strategies, because (i) the classic ("BUILD") initialization now becomes the bottleneck, and (ii) our swap is fast enough to compensate for worse starting conditions. We also show how the CLARA and CLARANS algorithms benefit from the proposed modifications. While we do not study the parallelization of our approach in this work, it can easily be combined with earlier approaches to use PAM and CLARA on big data (some of which use PAM as a subroutine, hence can immediately benefit from these improvements), where the performance with high k becomes increasingly important. In experiments on real data with k=100,200, we observed a 458x respectively 1191x speedup compared to the original PAM SWAP algorithm, making PAM applicable to larger data sets, and in particular to higher k.

We present an accelerated algorithm for hierarchical density based clustering. Our new algorithm improves upon HDBSCAN*, which itself provided a significant qualitative improvement over the popular DBSCAN algorithm. The accelerated HDBSCAN* algorithm provides comparable performance to DBSCAN, while supporting variable density clusters, and eliminating the need for the difficult to tune distance scale parameter. This makes accelerated HDBSCAN* the default choice for density based clustering. Library available at: https://github.com/scikit-learn-contrib/hdbscan

Diffusion models are a class of probabilistic generative models that have been widely used as a prior for image processing tasks like text conditional generation and inpainting. We demonstrate that these models can be adapted to make predictions and provide uncertainty quantification for chaotic dynamical systems. In these applications, diffusion models can implicitly represent knowledge about outliers and extreme events; however, querying that knowledge through conditional sampling or measuring probabilities is surprisingly difficult. Existing methods for conditional sampling at inference time seek mainly to enforce the constraints, which is insufficient to match the statistics of the distribution or compute the probability of the chosen events. To achieve these ends, optimally one would use the conditional score function, but its computation is typically intractable. In this work, we develop a probabilistic approximation scheme for the conditional score function which provably converges to the true distribution as the noise level decreases. With this scheme we are able to sample conditionally on nonlinear userdefined events at inference time, and matches data statistics even when sampling from the tails of the distribution.

This paper studies the fair range clustering problem in which the data points are from different demographic groups and the goal is to pick k centers with the minimum clustering cost such that each group is at least minimally represented in the centers set and no group dominates the centers set. More precisely, given a set of n points in a metric space (P,d) where each point belongs to one of the ell different demographics (i.e., P = P_1 uplus P_2 uplus cdots uplus P_ell) and a set of ell intervals [alpha_1, beta_1], cdots, [alpha_ell, beta_ell] on desired number of centers from each group, the goal is to pick a set of k centers C with minimum ell_p-clustering cost (i.e., (sum_{vin P} d(v,C)^p)^{1/p}) such that for each group iin ell, |Ccap P_i| in [alpha_i, beta_i]. In particular, the fair range ell_p-clustering captures fair range k-center, k-median and k-means as its special cases. In this work, we provide efficient constant factor approximation algorithms for fair range ell_p-clustering for all values of pin [1,infty).

We introduce NeuralProphet, a successor to Facebook Prophet, which set an industry standard for explainable, scalable, and user-friendly forecasting frameworks. With the proliferation of time series data, explainable forecasting remains a challenging task for business and operational decision making. Hybrid solutions are needed to bridge the gap between interpretable classical methods and scalable deep learning models. We view Prophet as a precursor to such a solution. However, Prophet lacks local context, which is essential for forecasting the near-term future and is challenging to extend due to its Stan backend. NeuralProphet is a hybrid forecasting framework based on PyTorch and trained with standard deep learning methods, making it easy for developers to extend the framework. Local context is introduced with auto-regression and covariate modules, which can be configured as classical linear regression or as Neural Networks. Otherwise, NeuralProphet retains the design philosophy of Prophet and provides the same basic model components. Our results demonstrate that NeuralProphet produces interpretable forecast components of equivalent or superior quality to Prophet on a set of generated time series. NeuralProphet outperforms Prophet on a diverse collection of real-world datasets. For short to medium-term forecasts, NeuralProphet improves forecast accuracy by 55 to 92 percent.

The k-means++ seeding algorithm (Arthur & Vassilvitskii, 2007) is widely used in practice for the k-means clustering problem where the goal is to cluster a dataset X subset R ^d into k clusters. The popularity of this algorithm is due to its simplicity and provable guarantee of being O(log k) competitive with the optimal solution in expectation. However, its running time is O(|X|kd), making it expensive for large datasets. In this work, we present a simple and effective rejection sampling based approach for speeding up k-means++. Our first method runs in time O(nnz (X) + beta k^2d) while still being O(log k ) competitive in expectation. Here, beta is a parameter which is the ratio of the variance of the dataset to the optimal k-means cost in expectation and O hides logarithmic factors in k and |X|. Our second method presents a new trade-off between computational cost and solution quality. It incurs an additional scale-invariant factor of k^{-Omega( m/beta)} Var (X) in addition to the O(log k) guarantee of k-means++ improving upon a result of (Bachem et al, 2016a) who get an additional factor of m^{-1}Var(X) while still running in time O(nnz(X) + mk^2d). We perform extensive empirical evaluations to validate our theoretical results and to show the effectiveness of our approach on real datasets.

Cluster analysis relies on effective benchmarks for evaluating and comparing different algorithms. Simulation studies on synthetic data are popular because important features of the data sets, such as the overlap between clusters, or the variation in cluster shapes, can be effectively varied. Unfortunately, creating evaluation scenarios is often laborious, as practitioners must translate higher-level scenario descriptions like "clusters with very different shapes" into lower-level geometric parameters such as cluster centers, covariance matrices, etc. To make benchmarks more convenient and informative, we propose synthetic data generation based on direct specification of high-level scenarios, either through verbal descriptions or high-level geometric parameters. Our open-source Python package repliclust implements this workflow, making it easy to set up interpretable and reproducible benchmarks for cluster analysis. A demo of data generation from verbal inputs is available at https://demo.repliclust.org.