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We consider the variable selection problem for two-sample tests, aiming to select the most informative variables to distinguish samples from two groups. To solve this problem, we propose a framework based on the kernel maximum mean discrepancy (MMD). Our approach seeks a group of variables with a pre-specified size that maximizes the variance-regularized MMD statistics. This formulation also corresponds to the minimization of asymptotic type-II error while controlling type-I error, as studied in the literature. We present mixed-integer programming formulations and develop exact and approximation algorithms with performance guarantees for different choices of kernel functions. Furthermore, we provide a statistical testing power analysis of our proposed framework. Experiment results on synthetic and real datasets demonstrate the superior performance of our approach.

Out-of-distribution (OOD) detection is essential for reliable and trustworthy machine learning. Recent multi-modal OOD detection leverages textual information from in-distribution (ID) class names for visual OOD detection, yet it currently neglects the rich contextual information of ID classes. Large language models (LLMs) encode a wealth of world knowledge and can be prompted to generate descriptive features for each class. Indiscriminately using such knowledge causes catastrophic damage to OOD detection due to LLMs' hallucinations, as is observed by our analysis. In this paper, we propose to apply world knowledge to enhance OOD detection performance through selective generation from LLMs. Specifically, we introduce a consistency-based uncertainty calibration method to estimate the confidence score of each generation. We further extract visual objects from each image to fully capitalize on the aforementioned world knowledge. Extensive experiments demonstrate that our method consistently outperforms the state-of-the-art.

Sparse Candecomp / PARAFAC decomposition, a generalization of the matrix singular value decomposition to higher-dimensional tensors, is a popular tool for analyzing diverse datasets. On tensors with billions of nonzero entries, computing a CP decomposition is a computationally intensive task. We propose the first distributed-memory implementations of two randomized CP decomposition algorithms, CP-ARLS-LEV and STS-CP, that offer nearly an order-of-magnitude speedup at high decomposition ranks over well-tuned non-randomized decomposition packages. Both algorithms rely on leverage score sampling and enjoy strong theoretical guarantees, each with varying time and accuracy tradeoffs. We tailor the communication schedule for our random sampling algorithms, eliminating expensive reduction collectives and forcing communication costs to scale with the random sample count. Finally, we optimize the local storage format for our methods, switching between an analogue of compressed sparse column and compressed sparse row formats to facilitate both random sampling and efficient parallelization of sparse-dense matrix multiplication. Experiments show that our methods are fast and scalable, producing 11x speedup over SPLATT to compute a decomposition of the billion-scale Reddit tensor on 512 CPU cores in under 2 minutes.

Current multilingual semantic parsing (MSP) datasets are almost all collected by translating the utterances in the existing datasets from the resource-rich language to the target language. However, manual translation is costly. To reduce the translation effort, this paper proposes the first active learning procedure for MSP (AL-MSP). AL-MSP selects only a subset from the existing datasets to be translated. We also propose a novel selection method that prioritizes the examples diversifying the logical form structures with more lexical choices, and a novel hyperparameter tuning method that needs no extra annotation cost. Our experiments show that AL-MSP significantly reduces translation costs with ideal selection methods. Our selection method with proper hyperparameters yields better parsing performance than the other baselines on two multilingual datasets.

Computational fluid dynamics (CFD) simulations of viscous fluids described by the Navier-Stokes equations are considered. Depending on the Reynolds number of the flow, the Navier-Stokes equations may exhibit a highly nonlinear behavior. The system of nonlinear equations resulting from the discretization of the Navier-Stokes equations can be solved using nonlinear iteration methods, such as Newton's method. However, fast quadratic convergence is typically only obtained in a local neighborhood of the solution, and for many configurations, the classical Newton iteration does not converge at all. In such cases, so-called globalization techniques may help to improve convergence. In this paper, pseudo-transient continuation is employed in order to improve nonlinear convergence. The classical algorithm is enhanced by a neural network model that is trained to predict a local pseudo-time step. Generalization of the novel approach is facilitated by predicting the local pseudo-time step separately on each element using only local information on a patch of adjacent elements as input. Numerical results for standard benchmark problems, including flow through a backward facing step geometry and Couette flow, show the performance of the machine learning-enhanced globalization approach; as the software for the simulations, the CFD module of COMSOL Multiphysics is employed.

We study probability density functions that are log-concave. Despite the space of all such densities being infinite-dimensional, the maximum likelihood estimate is the exponential of a piecewise linear function determined by finitely many quantities, namely the function values, or heights, at the data points. We explore in what sense exact solutions to this problem are possible. First, we show that the heights given by the maximum likelihood estimate are generically transcendental. For a cell in one dimension, the maximum likelihood estimator is expressed in closed form using the generalized W-Lambert function. Even more, we show that finding the log-concave maximum likelihood estimate is equivalent to solving a collection of polynomial-exponential systems of a special form. Even in the case of two equations, very little is known about solutions to these systems. As an alternative, we use Smale's alpha-theory to refine approximate numerical solutions and to certify solutions to log-concave density estimation.

Dataset distillation methods have achieved remarkable success in distilling a large dataset into a small set of representative samples. However, they are not designed to produce a distilled dataset that can be effectively used for facilitating self-supervised pre-training. To this end, we propose a novel problem of distilling an unlabeled dataset into a set of small synthetic samples for efficient self-supervised learning (SSL). We first prove that a gradient of synthetic samples with respect to a SSL objective in naive bilevel optimization is \textit{biased} due to the randomness originating from data augmentations or masking. To address this issue, we propose to minimize the mean squared error (MSE) between a model's representations of the synthetic examples and their corresponding learnable target feature representations for the inner objective, which does not introduce any randomness. Our primary motivation is that the model obtained by the proposed inner optimization can mimic the \textit{self-supervised target model}. To achieve this, we also introduce the MSE between representations of the inner model and the self-supervised target model on the original full dataset for outer optimization. Lastly, assuming that a feature extractor is fixed, we only optimize a linear head on top of the feature extractor, which allows us to reduce the computational cost and obtain a closed-form solution of the head with kernel ridge regression. We empirically validate the effectiveness of our method on various applications involving transfer learning.

Graph diffusion equations are intimately related to graph neural networks (GNNs) and have recently attracted attention as a principled framework for analyzing GNN dynamics, formalizing their expressive power, and justifying architectural choices. One key open questions in graph learning is the generalization capabilities of GNNs. A major limitation of current approaches hinges on the assumption that the graph topologies in the training and test sets come from the same distribution. In this paper, we make steps towards understanding the generalization of GNNs by exploring how graph diffusion equations extrapolate and generalize in the presence of varying graph topologies. We first show deficiencies in the generalization capability of existing models built upon local diffusion on graphs, stemming from the exponential sensitivity to topology variation. Our subsequent analysis reveals the promise of non-local diffusion, which advocates for feature propagation over fully-connected latent graphs, under the assumption of a specific data-generating condition. In addition to these findings, we propose a novel graph encoder backbone, Advective Diffusion Transformer (ADiT), inspired by advective graph diffusion equations that have a closed-form solution backed up with theoretical guarantees of desired generalization under topological distribution shifts. The new model, functioning as a versatile graph Transformer, demonstrates superior performance across a wide range of graph learning tasks.

The monitoring of data generated by a large number of devices in Internet of Things (IoT) systems is an important and complex issue. Several studies have explored the use of generic rule engine, primarily based on the RETE algorithm, for monitoring the flow of device data. In order to solve the performance problem of the RETE algorithm in IoT scenarios, some studies have also proposed improved RETE algorithms. However, implementing modifications to the general rule engine remains challenges in practical applications. The Thingsboard open-source platform introduces an IoT-specific rule engine that does not rely on the RETE algorithm. Its interactive mode attracted attention from developers and researchers. However, the close integration between its rule module and the platform, as well as the difficulty in formulating rules for multiple devices, limits its flexibility. This paper presents an adaptable and user-friendly rule engine framework for monitoring and control IoT device data flows. The framework is easily extensible and allows for the formulation of rules contain multiple devices. We designed a Domain-Specific Language (DSL) for rule description. A prototype system of this framework was implemented to verify the validity of theoretical method. The framework has potential to be adaptable to a wide range of IoT scenarios and is especially effective in where real-time control demands are not as strict.

Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis, thereby allowing manual manipulation in predicting the final answer.