Dimensionality reduction has become one of the fundamental problems in modern mathematical data science. Standard methods for embedding data or dimension reduction include t-SNE [15], PCA [21], UMAP [16] and many others. There is an interesting and important gap between methods with solid theoretical footing (e.g., PCA and SVD, multi-dimensional scaling, and spectral methods) and methods which are less well understood albeit widely used in practice (e.g., t-SNE or UMAP). We focus on t-SNE (which is closely related to UMAP [4, 12]) because it is widely used for data visualization, dimensionality reduction, and clustering, yet it lacks extensive theoretical analysis. Because this method is so effective for visualizing well-clustered, high-dimensional data, it has become an indispensable tool for biological data analysis tasks, including, but not limited to single-cell transcriptomics [10], single-cell flow, mass cytometry [1, 19], and whole-genome sequencing [13, 5].

Purpose; The purpose of this study is to classify glial tumors into grade II, III and IV categories noninvasively by application of machine learning to multi-modal MRI features in comparison with volumetric analysis. Methods; We retrospectively studied 57 glioma patients with pre and postcontrast T1 weighted, T2 weighted, FLAIR images, and ADC maps acquired on a 3T MRI. The tumors were segmented into enhancing and nonenhancing portions, tumor necrosis, cyst and edema using semiautomated segmentation of ITK-SNAP open source tool. We measured total tumor volume, enhancing-nonenhancing tumor, edema, necrosis volume and the ratios to the total tumor volume. Training of a support vector machine (SVM) classifier and artificial neural network (ANN) was performed with labeled data designed to answer the question of interest. Specificity, sensitivity, and AUC of the predictions were computed by means of ROC analysis. Differences in continuous measures between groups were assessed by using Kruskall Wallis, with post hoc Dunn correction for multiple comparisons. Results; When we compared the volume ratios between groups, there was statistically significant difference between grade IV and grade II-III glial tumors. Edema and tumor necrosis volume ratios for grade IV glial tumors were higher than that of grade II and III. Volumetric ratio analysis could not distinguish grade II and III tumors successfully. However, SVM and ANN correctly classified each group with accuracies up to 98% and 96%. Conclusion; Application of machine learning methods to MRI features can be used to classify brain tumors noninvasively and more readily in clinical settings.

As intelligent agents become autonomous over longer periods of time, they may eventually become lifelong counterparts to specific people. If so, it may be common for a user to want the agent to master a task temporarily but later on to forget the task due to privacy concerns. However enabling an agent to \emph{forget privately} what the user specified without degrading the rest of the learned knowledge is a challenging problem. With the aim of addressing this challenge, this paper formalizes this continual learning and private unlearning (CLPU) problem. The paper further introduces a straightforward but exactly private solution, CLPU-DER++, as the first step towards solving the CLPU problem, along with a set of carefully designed benchmark problems to evaluate the effectiveness of the proposed solution. The code is available at https://github.com/Cranial-XIX/Continual-Learning-Private-Unlearning.

A longstanding challenge surrounding deep learning algorithms is unpacking and understanding how they make their decisions. Explainable Artificial Intelligence (XAI) offers methods to provide explanations of internal functions of algorithms and reasons behind their decisions in ways that are interpretable and understandable to human users. . Numerous XAI approaches have been developed thus far, and a comparative analysis of these strategies seems necessary to discern their relevance to clinical prediction models. To this end, we first implemented two prediction models for short- and long-term outcomes of traumatic brain injury (TBI) utilizing structured tabular as well as time-series physiologic data, respectively. Six different interpretation techniques were used to describe both prediction models at the local and global levels. We then performed a critical analysis of merits and drawbacks of each strategy, highlighting the implications for researchers who are interested in applying these methodologies. The implemented methods were compared to one another in terms of several XAI characteristics such as understandability, fidelity, and stability. Our findings show that SHAP is the most stable with the highest fidelity but falls short of understandability. Anchors, on the other hand, is the most understandable approach, but it is only applicable to tabular data and not time series data.

With the prospect of automating a number of chemical tasks with high fidelity, chemical language processing models are emerging at a rapid speed. Here, we present a cloud-based real-time platform that allows users to virtually screen molecules of interest. For this purpose, molecular embeddings inferred from a recently proposed large chemical language model, named MolFormer, are leveraged. The platform currently supports three tasks: nearest neighbor retrieval, chemical space visualization, and property prediction. Based on the functionalities of this platform and results obtained, we believe that such a platform can play a pivotal role in automating chemistry and chemical engineering research, as well as assist in drug discovery and material design tasks. A demo of our platform is provided at www.ibm.biz/molecular_demo.

We consider the problem of active domain adaptation (ADA) to unlabeled target data, of which subset is actively selected and labeled given a budget constraint. Inspired by recent analysis on a critical issue from label distribution mismatch between source and target in domain adaptation, we devise a method that addresses the issue for the first time in ADA. At its heart lies a novel sampling strategy, which seeks target data that best approximate the entire target distribution as well as being representative, diverse, and uncertain. The sampled target data are then used not only for supervised learning but also for matching label distributions of source and target domains, leading to remarkable performance improvement. On four public benchmarks, our method substantially outperforms existing methods in every adaptation scenario.

Datacenters execute large computational jobs, which are composed of smaller tasks. A job completes when all its tasks finish, so stragglers -- rare, yet extremely slow tasks -- are a major impediment to datacenter performance. Accurately predicting stragglers would enable proactive intervention, allowing datacenter operators to mitigate stragglers before they delay a job. While much prior work applies machine learning to predict computer system performance, these approaches rely on complete labels -- i.e., sufficient examples of all possible behaviors, including straggling and non-straggling -- or strong assumptions about the underlying latency distributions -- e.g., whether Gaussian or not. Within a running job, however, none of this information is available until stragglers have revealed themselves when they have already delayed the job. To predict stragglers accurately and early without labeled positive examples or assumptions on latency distributions, this paper presents NURD, a novel Negative-Unlabeled learning approach with Reweighting and Distribution-compensation that only trains on negative and unlabeled streaming data. The key idea is to train a predictor using finished tasks of non-stragglers to predict latency for unlabeled running tasks, and then reweight each unlabeled task's prediction based on a weighting function of its feature space. We evaluate NURD on two production traces from Google and Alibaba, and find that compared to the best baseline approach, NURD produces 2--11 percentage point increases in the F1 score in terms of prediction accuracy, and 2.0--8.8 percentage point improvements in job completion time.

Optimization on a Riemannian manifold naturally appears in various fields of applications, including principal component analysis [22, 61], matrix completion and factorization [35, 56, 13], dictionary learning [17, 27], optimal transport [49, 40, 26], to name a few. Riemannian optimization [2, 12] provides a universal and efficient framework for problem (1) that respects the intrinsic geometry of the constraint set. In addition, many non-convex problems turns out to be geodesic convex (a generalized notion of convexity) on the manifold, which yields better convergence guarantees for Riemannian optimization methods. One of the most fundamental solvers is the Riemannian gradient descent method [55, 62, 2, 12], which generalizes the classical gradient descent method in the Euclidean space with intrinsic updates on manifolds. There also exist various advanced algorithms for Riemannian optimization that include stochastic and variance reduced methods [11, 61, 34, 24, 25], adaptive gradient methods [8, 33] quasi-Newton methods [30, 43], trust region methods [1], and cubic regularized Newton methods [3], among others. Nevertheless, it remains unclear whether there exists a simple strategy to accelerate firstorder algorithms on Riemannian manifolds. Existing research on accelerated gradient methods focus primarily on generalizing Nesterov acceleration [42] to Riemannian manifolds, including [37, 4, 63, 6, 31, 36]. However, most of the algorithms are theoretic constructs and are usually less favourable in practice.

As societal concerns on data privacy recently increase, we have witnessed data silos among multiple parties in various applications. Federated learning emerges as a new learning paradigm that enables multiple parties to collaboratively train a machine learning model without sharing their raw data. Vertical federated learning, where each party owns different features of the same set of samples and only a single party has the label, is an important and challenging topic in federated learning. Communication costs among different parties have been a major hurdle for practical vertical learning systems. In this paper, we propose a novel communication-efficient vertical federated learning algorithm named FedOnce, which requires only one-shot communication among parties. To improve model accuracy and provide privacy guarantee, FedOnce features unsupervised learning representations in the federated setting and privacy-preserving techniques based on moments accountant. The comprehensive experiments on 10 datasets demonstrate that FedOnce achieves close performance compared to state-of-the-art vertical federated learning algorithms with much lower communication costs. Meanwhile, our privacy-preserving technique significantly outperforms the state-of-the-art approaches under the same privacy budget.

Occupational pneumoconiosis (OP) staging is a vital task concerning the lung healthy of a subject. The staging result of a patient is depended on the staging standard and his chest X-ray. It is essentially an image classification task. However, the distribution of OP data is commonly imbalanced, which largely reduces the effect of classification models which are proposed under the assumption that data follow a balanced distribution and causes inaccurate staging results. To achieve accurate OP staging, we proposed an OP staging model who is able to handle imbalance data in this work. The proposed model adopts gray level co-occurrence matrix (GLCM) to extract texture feature of chest X-ray and implements classification with a weighted broad learning system (WBLS). Empirical studies on six data cases provided by a hospital indicate that proposed model can perform better OP staging than state-of-the-art classifiers with imbalanced data.