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This paper introduces a hypothesis space for deep learning that employs deep neural networks (DNNs). By treating a DNN as a function of two variables, the physical variable and parameter variable, we consider the primitive set of the DNNs for the parameter variable located in a set of the weight matrices and biases determined by a prescribed depth and widths of the DNNs. We then complete the linear span of the primitive DNN set in a weak* topology to construct a Banach space of functions of the physical variable. We prove that the Banach space so constructed is a reproducing kernel Banach space (RKBS) and construct its reproducing kernel. We investigate two learning models, regularized learning and minimum interpolation problem in the resulting RKBS, by establishing representer theorems for solutions of the learning models. The representer theorems unfold that solutions of these learning models can be expressed as linear combination of a finite number of kernel sessions determined by given data and the reproducing kernel.

Graphs are commonly used to model complex networks prevalent in modern social media and literacy applications. Our research investigates the vulnerability of these graphs through the application of feature based adversarial attacks, focusing on both decision time attacks and poisoning attacks. In contrast to state of the art models like Net Attack and Meta Attack, which target node attributes and graph structure, our study specifically targets node attributes. For our analysis, we utilized the text dataset Hellaswag and graph datasets Cora and CiteSeer, providing a diverse basis for evaluation. Our findings indicate that decision time attacks using Projected Gradient Descent (PGD) are more potent compared to poisoning attacks that employ Mean Node Embeddings and Graph Contrastive Learning strategies. This provides insights for graph data security, pinpointing where graph-based models are most vulnerable and thereby informing the development of stronger defense mechanisms against such attacks.

Obtaining accurate and timely channel state information (CSI) is a fundamental challenge for large antenna systems. Mobile systems like 5G use a beam management framework that joins the initial access, beamforming, CSI acquisition, and data transmission. The design of codebooks for these stages, however, is challenging due to their interrelationships, varying array sizes, and site-specific channel and user distributions. Furthermore, beam management is often focused on single-sector operations while ignoring the overarching network- and system-level optimization. In this paper, we proposed an end-to-end learned codebook design algorithm, network beamspace learning (NBL), that captures and optimizes codebooks to mitigate interference while maximizing the achievable performance with extremely large hybrid arrays. The proposed algorithm requires limited shared information yet designs codebooks that outperform traditional codebooks by over 10dB in beam alignment and achieve more than 25% improvements in network spectral efficiency.

Machine learning (ML) provides powerful tools for predictive modeling. ML's popularity stems from the promise of sample-level prediction with applications across a variety of fields from physics and marketing to healthcare. However, if not properly implemented and evaluated, ML pipelines may contain leakage typically resulting in overoptimistic performance estimates and failure to generalize to new data. This can have severe negative financial and societal implications. Our aim is to expand understanding associated with causes leading to leakage when designing, implementing, and evaluating ML pipelines. Illustrated by concrete examples, we provide a comprehensive overview and discussion of various types of leakage that may arise in ML pipelines.

This study analyzed images generated by three popular generative artificial intelligence (AI) tools - Midjourney, Stable Diffusion, and DALLE 2 - representing various occupations to investigate potential bias in AI generators. Our analysis revealed two overarching areas of concern in these AI generators, including (1) systematic gender and racial biases, and (2) subtle biases in facial expressions and appearances. Firstly, we found that all three AI generators exhibited bias against women and African Americans. Moreover, we found that the evident gender and racial biases uncovered in our analysis were even more pronounced than the status quo when compared to labor force statistics or Google images, intensifying the harmful biases we are actively striving to rectify in our society. Secondly, our study uncovered more nuanced prejudices in the portrayal of emotions and appearances. For example, women were depicted as younger with more smiles and happiness, while men were depicted as older with more neutral expressions and anger, posing a risk that generative AI models may unintentionally depict women as more submissive and less competent than men. Such nuanced biases, by their less overt nature, might be more problematic as they can permeate perceptions unconsciously and may be more difficult to rectify. Although the extent of bias varied depending on the model, the direction of bias remained consistent in both commercial and open-source AI generators. As these tools become commonplace, our study highlights the urgency to identify and mitigate various biases in generative AI, reinforcing the commitment to ensuring that AI technologies benefit all of humanity for a more inclusive future.

We consider the problem of efficient inference of the Average Treatment Effect in a sequential experiment where the policy governing the assignment of subjects to treatment or control can change over time. We first provide a central limit theorem for the Adaptive Augmented Inverse-Probability Weighted estimator, which is semiparametric efficient, under weaker assumptions than those previously made in the literature. This central limit theorem enables efficient inference at fixed sample sizes. We then consider a sequential inference setting, deriving both asymptotic and nonasymptotic confidence sequences that are considerably tighter than previous methods. These anytime-valid methods enable inference under data-dependent stopping times (sample sizes). Additionally, we use propensity score truncation techniques from the recent off-policy estimation literature to reduce the finite sample variance of our estimator without affecting the asymptotic variance. Empirical results demonstrate that our methods yield narrower confidence sequences than those previously developed in the literature while maintaining time-uniform error control.

Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph representation. However, there is an inherent gap between self-supervised tasks and downstream tasks in terms of optimization objective and training data. Conventional pre-training methods may be not effective enough on knowledge transfer since they do not make any adaptation for downstream tasks. To solve such problems, we propose a new transfer learning paradigm on GNNs which could effectively leverage self-supervised tasks as auxiliary tasks to help the target task. Our methods would adaptively select and combine different auxiliary tasks with the target task in the fine-tuning stage. We design an adaptive auxiliary loss weighting model to learn the weights of auxiliary tasks by quantifying the consistency between auxiliary tasks and the target task. In addition, we learn the weighting model through meta-learning. Our methods can be applied to various transfer learning approaches, it performs well not only in multi-task learning but also in pre-training and fine-tuning. Comprehensive experiments on multiple downstream tasks demonstrate that the proposed methods can effectively combine auxiliary tasks with the target task and significantly improve the performance compared to state-of-the-art methods.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.

With the advent of deep neural networks, learning-based approaches for 3D reconstruction have gained popularity. However, unlike for images, in 3D there is no canonical representation which is both computationally and memory efficient yet allows for representing high-resolution geometry of arbitrary topology. Many of the state-of-the-art learning-based 3D reconstruction approaches can hence only represent very coarse 3D geometry or are limited to a restricted domain. In this paper, we propose occupancy networks, a new representation for learning-based 3D reconstruction methods. Occupancy networks implicitly represent the 3D surface as the continuous decision boundary of a deep neural network classifier. In contrast to existing approaches, our representation encodes a description of the 3D output at infinite resolution without excessive memory footprint. We validate that our representation can efficiently encode 3D structure and can be inferred from various kinds of input. Our experiments demonstrate competitive results, both qualitatively and quantitatively, for the challenging tasks of 3D reconstruction from single images, noisy point clouds and coarse discrete voxel grids. We believe that occupancy networks will become a useful tool in a wide variety of learning-based 3D tasks.