Choropleth maps, which utilize color schemes to visualize spatial patterns and trends, are simple yet effective tools for geographic data analysis. As such, color scheme design is a critical aspect of choropleth map creation. The traditional coloring methods offered by GIS tools such as ArcGIS and QGIS are not user-friendly for non-professionals. On the one hand, these tools provide numerous color schemes, making it hard to decide which one best matches the theme. On the other hand, it is difficult to fulfill some ambiguous and personalized coloring needs of users, such as requests for 'summer-like' map colors. To address these shortcomings, we develop a novel system that leverages a large language model and map color design principles to generate contextually relevant and user-aligned choropleth map color schemes. The system follows a three-stage process: Data processing, which provides an overview of the data and classifies the data into meaningful classes; Color Concept Design, where the color theme and color mode are conceptualized based on data characteristics and user intentions; and Color Scheme Design, where specific colors are assigned to classes based on generated color theme, color mode, and user requirements. Our system incorporates an interactive interface, providing necessary visualization for choropleth map color design and allowing users to customize and refine color choices flexibly. Through user studies and evaluations, the system demonstrates acceptable usability, accuracy, and flexibility, with users highlighting the tool's efficiency and ease of use.

The difficulty of the information extraction task lies in dealing with the task-specific label schemas and heterogeneous data structures. Recent work has proposed methods based on large language models to uniformly model different information extraction tasks. However, these existing methods are deficient in their information extraction capabilities for Chinese languages other than English. In this paper, we propose an end-to-end chat-enhanced instruction tuning framework for universal information extraction (YAYI-UIE), which supports both Chinese and English. Specifically, we utilize dialogue data and information extraction data to enhance the information extraction performance jointly. Experimental results show that our proposed framework achieves state-of-the-art performance on Chinese datasets while also achieving comparable performance on English datasets under both supervised settings and zero-shot settings.

Explainable Graph Neural Networks (GNNs) have been developed and applied to drug-protein binding prediction to identify the key chemical structures in a drug that have active interactions with the target proteins. However, the key structures identified by the current explainable GNN models are typically chemically invalid. Furthermore, a threshold needs to be manually selected to pinpoint the key structures from the rest. To overcome the limitations of the current explainable GNN models, we propose our SLGNN, which stands for using Sparse Learning to Graph Neural Networks. Our SLGNN relies on using a chemical-substructure-based graph (where nodes are chemical substructures) to represent a drug molecule. Furthermore, SLGNN incorporates generalized fussed lasso with message-passing algorithms to identify connected subgraphs that are critical for the drug-protein binding prediction. Due to the use of the chemical-substructure-based graph, it is guaranteed that any subgraphs in a drug identified by our SLGNN are chemically valid structures. These structures can be further interpreted as the key chemical structures for the drug to bind to the target protein. We demonstrate the explanatory power of our SLGNN by first showing all the key structures identified by our SLGNN are chemically valid. In addition, we illustrate that the key structures identified by our SLGNN have more predictive power than the key structures identified by the competing methods. At last, we use known drug-protein binding data to show the key structures identified by our SLGNN contain most of the binding sites.

Semi-supervised anomaly detection methods leverage a few anomaly examples to yield drastically improved performance compared to unsupervised models. However, they still suffer from two limitations: 1) unlabeled anomalies (i.e., anomaly contamination) may mislead the learning process when all the unlabeled data are employed as inliers for model training; 2) only discrete supervision information (such as binary or ordinal data labels) is exploited, which leads to suboptimal learning of anomaly scores that essentially take on a continuous distribution. Therefore, this paper proposes a novel semi-supervised anomaly detection method, which devises \textit{contamination-resilient continuous supervisory signals}. Specifically, we propose a mass interpolation method to diffuse the abnormality of labeled anomalies, thereby creating new data samples labeled with continuous abnormal degrees. Meanwhile, the contaminated area can be covered by new data samples generated via combinations of data with correct labels. A feature learning-based objective is added to serve as an optimization constraint to regularize the network and further enhance the robustness w.r.t. anomaly contamination. Extensive experiments on 11 real-world datasets show that our approach significantly outperforms state-of-the-art competitors by 20%-30% in AUC-PR and obtains more robust and superior performance in settings with different anomaly contamination levels and varying numbers of labeled anomalies. The source code is available at https://github.com/xuhongzuo/rosas/.

We study estimation of piecewise smooth signals over a graph. We propose a $\ell_{2,0}$-norm penalized Graph Trend Filtering (GTF) model to estimate piecewise smooth graph signals that exhibit inhomogeneous levels of smoothness across the nodes. We prove that the proposed GTF model is simultaneously a k-means clustering on the signal over the nodes and a minimum graph cut on the edges of the graph, where the clustering and the cut share the same assignment matrix. We propose two methods to solve the proposed GTF model: a spectral decomposition method and a method based on simulated annealing. In the experiment on synthetic and real-world datasets, we show that the proposed GTF model has a better performances compared with existing approaches on the tasks of denoising, support recovery and semi-supervised classification. We also show that the proposed GTF model can be solved more efficiently than existing models for the dataset with a large edge set.

Isolation forest (iForest) has been emerging as arguably the most popular anomaly detector in recent years due to its general effectiveness across different benchmarks and strong scalability. Nevertheless, its linear axis-parallel isolation method often leads to (i) failure in detecting hard anomalies that are difficult to isolate in high-dimensional/non-linear-separable data space, and (ii) notorious algorithmic bias that assigns unexpectedly lower anomaly scores to artefact regions. These issues contribute to high false negative errors. Several iForest extensions are introduced, but they essentially still employ shallow, linear data partition, restricting their power in isolating true anomalies. Therefore, this paper proposes deep isolation forest. We introduce a new representation scheme that utilises casually initialised neural networks to map original data into random representation ensembles, where random axis-parallel cuts are subsequently applied to perform the data partition. This representation scheme facilitates high freedom of the partition in the original data space (equivalent to non-linear partition on subspaces of varying sizes), encouraging a unique synergy between random representations and random partition-based isolation. Extensive experiments show that our model achieves significant improvement over state-of-the-art isolation-based methods and deep detectors on tabular, graph and time series datasets; our model also inherits desired scalability from iForest.

Due to the unsupervised nature of anomaly detection, the key to fueling deep models is finding supervisory signals. Different from current reconstruction-guided generative models and transformation-based contrastive models, we devise novel data-driven supervision for tabular data by introducing a characteristic -- scale -- as data labels. By representing varied sub-vectors of data instances, we define scale as the relationship between the dimensionality of original sub-vectors and that of representations. Scales serve as labels attached to transformed representations, thus offering ample labeled data for neural network training. This paper further proposes a scale learning-based anomaly detection method. Supervised by the learning objective of scale distribution alignment, our approach learns the ranking of representations converted from varied subspaces of each data instance. Through this proxy task, our approach models inherent regularities and patterns within data, which well describes data "normality". Abnormal degrees of testing instances are obtained by measuring whether they fit these learned patterns. Extensive experiments show that our approach leads to significant improvement over state-of-the-art generative/contrastive anomaly detection methods.

We consider the problem of projecting a vector onto the so-called k-capped simplex, which is a hyper-cube cut by a hyperplane. For an n-dimensional input vector with bounded elements, we found that a simple algorithm based on Newton's method is able to solve the projection problem to high precision with a complexity roughly about O(n), which has a much lower computational cost compared with the existing sorting-based methods proposed in the literature. We provide a theory for partial explanation and justification of the method. We demonstrate that the proposed algorithm can produce a solution of the projection problem with high precision on large scale datasets, and the algorithm is able to significantly outperform the state-of-the-art methods in terms of runtime (about 6-8 times faster than a commercial software with respect to CPU time for input vector with 1 million variables or more). We further illustrate the effectiveness of the proposed algorithm on solving sparse regression in a bioinformatics problem. Empirical results on the GWAS dataset (with 1,500,000 single-nucleotide polymorphisms) show that, when using the proposed method to accelerate the Projected Quasi-Newton (PQN) method, the accelerated PQN algorithm is able to handle huge-scale regression problem and it is more efficient (about 3-6 times faster) than the current state-of-the-art methods.

We propose a distributionally robust support vector machine with a fairness constraint that encourages the classifier to be fair in view of the equality of opportunity criterion. We use a type-$\infty$ Wasserstein ambiguity set centered at the empirical distribution to model distributional uncertainty and derive an exact reformulation for worst-case unfairness measure. We establish that the model is equivalent to a mixed-binary optimization problem, which can be solved by standard off-the-shelf solvers. We further prove that the expectation of the hinge loss objective function constitutes an upper bound on the misclassification probability. Finally, we numerically demonstrate that our proposed approach improves fairness with negligible loss of predictive accuracy.