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The persistent homology transform (PHT) represents a shape with a multiset of persistence diagrams parameterized by the sphere of directions in the ambient space. In this work, we describe a finite set of diagrams that discretize the PHT such that it faithfully represents the underlying shape. We provide a discretization that is exponential in the dimension of the shape. Moreover, we show that this discretization is stable with respect to various perturbations. Furthermore, we provide an algorithm for computing the discretization. Our approach relies only on knowing the heights and dimensions of topological events, which means that it can be adapted to provide discretizations of other dimension-returning topological transforms, including the Betti curve transform. With mild alterations, we also adapt our methods to faithfully discretize the Euler Characteristic curve transform.

Conventionally, during the knowledge distillation process (e.g. feature distillation), an additional projector is often required to perform feature transformation due to the dimension mismatch between the teacher and the student networks. Interestingly, we discovered that even if the student and the teacher have the same feature dimensions, adding a projector still helps to improve the distillation performance. In addition, projectors even improve logit distillation if we add them to the architecture too. Inspired by these surprising findings and the general lack of understanding of the projectors in the knowledge distillation process from existing literature, this paper investigates the implicit role that projectors play but so far have been overlooked. Our empirical study shows that the student with a projector (1) obtains a better trade-off between the training accuracy and the testing accuracy compared to the student without a projector when it has the same feature dimensions as the teacher, (2) better preserves its similarity to the teacher beyond shallow and numeric resemblance, from the view of Centered Kernel Alignment (CKA), and (3) avoids being over-confident as the teacher does at the testing phase. Motivated by the positive effects of projectors, we propose a projector ensemble-based feature distillation method to further improve distillation performance. Despite the simplicity of the proposed strategy, empirical results from the evaluation of classification tasks on benchmark datasets demonstrate the superior classification performance of our method on a broad range of teacher-student pairs and verify from the aspects of CKA and model calibration that the student's features are of improved quality with the projector ensemble design.

We propose a simple generalization of standard and empirically successful decision tree learning algorithms such as ID3, C4.5, and CART. These algorithms, which have been central to machine learning for decades, are greedy in nature: they grow a decision tree by iteratively splitting on the best attribute. Our algorithm, Top-$k$, considers the $k$ best attributes as possible splits instead of just the single best attribute. We demonstrate, theoretically and empirically, the power of this simple generalization. We first prove a {\sl greediness hierarchy theorem} showing that for every $k \in \mathbb{N}$, Top-$(k+1)$ can be dramatically more powerful than Top-$k$: there are data distributions for which the former achieves accuracy $1-\varepsilon$, whereas the latter only achieves accuracy $\frac1{2}+\varepsilon$. We then show, through extensive experiments, that Top-$k$ outperforms the two main approaches to decision tree learning: classic greedy algorithms and more recent "optimal decision tree" algorithms. On one hand, Top-$k$ consistently enjoys significant accuracy gains over greedy algorithms across a wide range of benchmarks. On the other hand, Top-$k$ is markedly more scalable than optimal decision tree algorithms and is able to handle dataset and feature set sizes that remain far beyond the reach of these algorithms.

In reliable decision-making systems based on machine learning, models have to be robust to distributional shifts or provide the uncertainty of their predictions. In node-level problems of graph learning, distributional shifts can be especially complex since the samples are interdependent. To evaluate the performance of graph models, it is important to test them on diverse and meaningful distributional shifts. However, most graph benchmarks considering distributional shifts for node-level problems focus mainly on node features, while structural properties are also essential for graph problems. In this work, we propose a general approach for inducing diverse distributional shifts based on graph structure. We use this approach to create data splits according to several structural node properties: popularity, locality, and density. In our experiments, we thoroughly evaluate the proposed distributional shifts and show that they can be quite challenging for existing graph models. We also reveal that simple models often outperform more sophisticated methods on the considered structural shifts. Finally, our experiments provide evidence that there is a trade-off between the quality of learned representations for the base classification task under structural distributional shift and the ability to separate the nodes from different distributions using these representations.

Successful detection of Out-of-Distribution (OoD) data is becoming increasingly important to ensure safe deployment of neural networks. One of the main challenges in OoD detection is that neural networks output overconfident predictions on OoD data, make it difficult to determine OoD-ness of data solely based on their predictions. Outlier exposure addresses this issue by introducing an additional loss that encourages low-confidence predictions on OoD data during training. While outlier exposure has shown promising potential in improving OoD detection performance, all previous studies on outlier exposure have been limited to utilizing visual outliers. Drawing inspiration from the recent advancements in vision-language pre-training, this paper venture out to the uncharted territory of textual outlier exposure. First, we uncover the benefits of using textual outliers by replacing real or virtual outliers in the image-domain with textual equivalents. Then, we propose various ways of generating preferable textual outliers. Our extensive experiments demonstrate that generated textual outliers achieve competitive performance on large-scale OoD and hard OoD benchmarks. Furthermore, we conduct empirical analyses of textual outliers to provide primary criteria for designing advantageous textual outliers: near-distribution, descriptiveness, and inclusion of visual semantics.

A crucial task in the political redistricting problem is to sample redistricting plans i.e. a partitioning of the graph of census blocks into districts. We show that Recombination [DeFord-Duchin-Solomon'21]-a popular Markov chain to sample redistricting plans-is exponentially slow mixing on simple subgraph of $\mathbb{Z}_2.$ We show an alternative way to sample balance, compact and contiguous redistricting plans using a "relaxed" version of ReCom and rejection sampling.

Language models (LMs) are capable of conducting in-context learning for multiple choice reasoning tasks, but the options in these tasks are treated equally. As humans often first eliminate wrong options before picking the final correct answer, we argue a similar two-step strategy can make LMs better at these tasks. To this end, we present the Process of Elimination (POE), a two-step scoring method. In the first step, POE scores each option, and eliminates seemingly wrong options. In the second step, POE masks these wrong options, and makes the final prediction from the remaining options. Zero-shot experiments on 8 reasoning tasks illustrate the effectiveness of POE, and a following analysis finds our method to be especially performant on logical reasoning tasks. We further analyze the effect of masks, and show that POE applies to few-shot settings and large language models (LLMs) like ChatGPT.

Backpropagation within neural networks leverages a fundamental element of automatic differentiation, which is referred to as the reverse mode differentiation, or vector Jacobian Product (VJP) or, in the context of differential geometry, known as the pull-back process. The computation of gradient is important as update of neural network parameters is performed using gradient descent method. In this study, we present a genric randomized method, which updates the parameters of neural networks by using directional derivatives of loss functions computed efficiently by using forward mode AD or Jacobian vector Product (JVP). These JVP are computed along the random directions sampled from different probability distributions e.g., Bernoulli, Normal, Wigner, Laplace and Uniform distributions. The computation of gradient is performed during the forward pass of the neural network. We also present a rigorous analysis of the presented methods providing the rate of convergence along with the computational experiments deployed in scientific Machine learning in particular physics-informed neural networks and Deep Operator Networks.

As artificial intelligence (AI) models continue to scale up, they are becoming more capable and integrated into various forms of decision-making systems. For models involved in moral decision-making, also known as artificial moral agents (AMA), interpretability provides a way to trust and understand the agent's internal reasoning mechanisms for effective use and error correction. In this paper, we provide an overview of this rapidly-evolving sub-field of AI interpretability, introduce the concept of the Minimum Level of Interpretability (MLI) and recommend an MLI for various types of agents, to aid their safe deployment in real-world settings.

In pace with developments in the research field of artificial intelligence, knowledge graphs (KGs) have attracted a surge of interest from both academia and industry. As a representation of semantic relations between entities, KGs have proven to be particularly relevant for natural language processing (NLP), experiencing a rapid spread and wide adoption within recent years. Given the increasing amount of research work in this area, several KG-related approaches have been surveyed in the NLP research community. However, a comprehensive study that categorizes established topics and reviews the maturity of individual research streams remains absent to this day. Contributing to closing this gap, we systematically analyzed 507 papers from the literature on KGs in NLP. Our survey encompasses a multifaceted review of tasks, research types, and contributions. As a result, we present a structured overview of the research landscape, provide a taxonomy of tasks, summarize our findings, and highlight directions for future work.