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Design-based conformal prediction

arXiv.org Machine Learning

Conformal prediction is an assumption-lean approach to generating distribution-free prediction intervals or sets, for nearly arbitrary predictive models, with guaranteed finite-sample coverage. Conformal methods are an active research topic in statistics and machine learning, but only recently have they been extended to non-exchangeable data. In this paper, we invite survey methodologists to begin using and contributing to conformal methods. We introduce how conformal prediction can be applied to data from several common complex sample survey designs, under a framework of design-based inference for a finite population, and we point out gaps where survey methodologists could fruitfully apply their expertise. Our simulations empirically bear out the theoretical guarantees of finite-sample coverage, and our real-data example demonstrates how conformal prediction can be applied to complex sample survey data in practice.


Rotation-Invariant Random Features Provide a Strong Baseline for Machine Learning on 3D Point Clouds

arXiv.org Artificial Intelligence

Rotational invariance is a popular inductive bias used by many fields in machine learning, such as computer vision and machine learning for quantum chemistry. Rotation-invariant machine learning methods set the state of the art for many tasks, including molecular property prediction and 3D shape classification. These methods generally either rely on task-specific rotation-invariant features, or they use general-purpose deep neural networks which are complicated to design and train. However, it is unclear whether the success of these methods is primarily due to the rotation invariance or the deep neural networks. To address this question, we suggest a simple and general-purpose method for learning rotation-invariant functions of three-dimensional point cloud data using a random features approach. Specifically, we extend the random features method of Rahimi & Recht 2007 by deriving a version that is invariant to three-dimensional rotations and showing that it is fast to evaluate on point cloud data. We show through experiments that our method matches or outperforms the performance of general-purpose rotation-invariant neural networks on standard molecular property prediction benchmark datasets QM7 and QM9. We also show that our method is general-purpose and provides a rotation-invariant baseline on the ModelNet40 shape classification task. Finally, we show that our method has an order of magnitude smaller prediction latency than competing kernel methods.


AI Literature Review Suite

arXiv.org Artificial Intelligence

The process of conducting literature reviews is often time-consuming and labor-intensive. To streamline this process, I present an AI Literature Review Suite that integrates several functionalities to provide a comprehensive literature review. This tool leverages the power of open access science, large language models (LLMs) and natural language processing to enable the searching, downloading, and organizing of PDF files, as well as extracting content from articles. Semantic search queries are used for data retrieval, while text embeddings and summarization using LLMs present succinct literature reviews. Interaction with PDFs is enhanced through a user-friendly graphical user interface (GUI). The suite also features integrated programs for bibliographic organization, interaction and query, and literature review summaries. This tool presents a robust solution to automate and optimize the process of literature review in academic and industrial research.


MatrixWorld: A pursuit-evasion platform for safe multi-agent coordination and autocurricula

arXiv.org Artificial Intelligence

Multi-agent reinforcement learning (MARL) has achieved encouraging performance in solving complex multi-agent tasks. However, the safety of MARL policies is one critical concern that impedes their real-world applications. Furthermore, popular multi-agent benchmarks provide limited safety support for safe MARL research, where negative rewards for collisions are insufficient for guaranteeing the safety of MARL policies. Therefore, in this work, we propose a new safety-constrained multi-agent environment: MatrixWorld, based on the general pursuit-evasion game. In particular, a safety-constrained multi-agent action execution model is proposed for the software implementation of safe multi-agent environments. In addition, MatrixWorld is a lightweight co-evolution framework for the learning of pursuit tasks, evasion tasks, or both, where more pursuit-evasion variants are designed based on different practical meanings of safety. As a brief survey, we review and analyze the co-evolution mechanism in the multi-agent setting, which clearly reveals its relationships with autocurricula, self-play, arms races, and adversarial learning. Thus, we argue that MatrixWorld can serve as the first environment for autocurriculum research, where ideas can be quickly verified and well understood. Finally, based on the above problems concerning safe MARL and autocurricula, our experiments show the difficulties of general MARL in guaranteeing safe multi-agent coordination with only negative rewards for collisions and the potential of MatrixWorld in autocurriculum learning, where practical suggestions for successful multi-agent adversarial learning and arms races are given.


Towards Practicable Sequential Shift Detectors

arXiv.org Artificial Intelligence

There is a growing awareness of the harmful effects of distribution shift on the performance of deployed machine learning models. Consequently, there is a growing interest in detecting these shifts before associated costs have time to accumulate. However, desiderata of crucial importance to the practicable deployment of sequential shift detectors are typically overlooked by existing works, precluding their widespread adoption. We identify three such desiderata, highlight existing works relevant to their satisfaction, and recommend impactful directions for future research.


A Bi-level Nonlinear Eigenvector Algorithm for Wasserstein Discriminant Analysis

arXiv.org Artificial Intelligence

As widely used feature extraction approaches in machine learning, dimensionality reduction (DR) methods [53, 7, 20, 12] learn projections such that the projected lower dimensional subspaces maintain the coherent structure of datasets and reduce computational costs of classification or clustering. The linear projection obtained from linear DR methods takes the form of a matrix such that the embedding to the lower dimensional subspace only involves matrix multiplications. Due to such ease in interpretation and implementation, linear DR methods are often the favored choice among numerous DR methods. For example, principal component analysis (PCA) [24] seeks to find a linear projection that preserves the dataset's variation and is one of the most common and well-known DR methods. Other well-known DR methods include Fisher linear discriminant analysis (LDA) [24] to take into account the information of classes and compute a linear projection that best separates different classes, and Mahalanobis metric learning [35] to seek a distance metric that better models the relationship among dataset from a linear projection. Wasserstein discriminant analysis (WDA) [19] is a supervised linear DR that is based on the use of regularized Wasserstein distances [13] as a distance metric. Similar to Fisher linear discriminant analysis (LDA), WDA seeks a projection matrix to maximize the dispersion of projected points between different classes and minimize the dispersion of projected points within same classes.


Towards Out-Of-Distribution Generalization: A Survey

arXiv.org Artificial Intelligence

Traditional machine learning paradigms are based on the assumption that both training and test data follow the same statistical pattern, which is mathematically referred to as Independent and Identically Distributed ($i.i.d.$). However, in real-world applications, this $i.i.d.$ assumption often fails to hold due to unforeseen distributional shifts, leading to considerable degradation in model performance upon deployment. This observed discrepancy indicates the significance of investigating the Out-of-Distribution (OOD) generalization problem. OOD generalization is an emerging topic of machine learning research that focuses on complex scenarios wherein the distributions of the test data differ from those of the training data. This paper represents the first comprehensive, systematic review of OOD generalization, encompassing a spectrum of aspects from problem definition, methodological development, and evaluation procedures, to the implications and future directions of the field. Our discussion begins with a precise, formal characterization of the OOD generalization problem. Following that, we categorize existing methodologies into three segments: unsupervised representation learning, supervised model learning, and optimization, according to their positions within the overarching learning process. We provide an in-depth discussion on representative methodologies for each category, further elucidating the theoretical links between them. Subsequently, we outline the prevailing benchmark datasets employed in OOD generalization studies. To conclude, we overview the existing body of work in this domain and suggest potential avenues for future research on OOD generalization. A summary of the OOD generalization methodologies surveyed in this paper can be accessed at http://out-of-distribution-generalization.com.


Fairness in Recommendation: Foundations, Methods and Applications

arXiv.org Artificial Intelligence

As one of the most pervasive applications of machine learning, recommender systems are playing an important role on assisting human decision making. The satisfaction of users and the interests of platforms are closely related to the quality of the generated recommendation results. However, as a highly data-driven system, recommender system could be affected by data or algorithmic bias and thus generate unfair results, which could weaken the reliance of the systems. As a result, it is crucial to address the potential unfairness problems in recommendation settings. Recently, there has been growing attention on fairness considerations in recommender systems with more and more literature on approaches to promote fairness in recommendation. However, the studies are rather fragmented and lack a systematic organization, thus making it difficult to penetrate for new researchers to the domain. This motivates us to provide a systematic survey of existing works on fairness in recommendation. This survey focuses on the foundations for fairness in recommendation literature. It first presents a brief introduction about fairness in basic machine learning tasks such as classification and ranking in order to provide a general overview of fairness research, as well as introduce the more complex situations and challenges that need to be considered when studying fairness in recommender systems. After that, the survey will introduce fairness in recommendation with a focus on the taxonomies of current fairness definitions, the typical techniques for improving fairness, as well as the datasets for fairness studies in recommendation. The survey also talks about the challenges and opportunities in fairness research with the hope of promoting the fair recommendation research area and beyond.


The Co-12 Recipe for Evaluating Interpretable Part-Prototype Image Classifiers

arXiv.org Artificial Intelligence

Interpretable part-prototype models are computer vision models that are explainable by design. The models learn prototypical parts and recognise these components in an image, thereby combining classification and explanation. Despite the recent attention for intrinsically interpretable models, there is no comprehensive overview on evaluating the explanation quality of interpretable part-prototype models. Based on the Co-12 properties for explanation quality as introduced in [42] (e.g., correctness, completeness, compactness), we review existing work that evaluates part-prototype models, reveal research gaps and outline future approaches for evaluation of the explanation quality of part-prototype models. This paper, therefore, contributes to the progression and maturity of this relatively new research field on interpretable part-prototype models. We additionally provide a "Co-12 cheat sheet" that acts as a concise summary of our findings on evaluating part-prototype models.


A Survey on Generative Modeling with Limited Data, Few Shots, and Zero Shot

arXiv.org Artificial Intelligence

In machine learning, generative modeling aims to learn to generate new data statistically similar to the training data distribution. In this paper, we survey learning generative models under limited data, few shots and zero shot, referred to as Generative Modeling under Data Constraint (GM-DC). This is an important topic when data acquisition is challenging, e.g. healthcare applications. We discuss background, challenges, and propose two taxonomies: one on GM-DC tasks and another on GM-DC approaches. Importantly, we study interactions between different GM-DC tasks and approaches. Furthermore, we highlight research gaps, research trends, and potential avenues for future exploration. Project website: https://gmdc-survey.github.io.