Trigonometric Quadrature Fourier Features for Scalable Gaussian Process Regression

Fourier feature approximations have been successfully applied in the literature for scalable Gaussian Process (GP) regression. In particular, Quadrature Fourier Features (QFF) derived from Gaussian quadrature rules have gained popularity in recent years due to their improved approximation accuracy and better calibrated uncertainty estimates compared to Random Fourier Feature (RFF) methods. However, a key limitation of QFF is that its performance can suffer from well-known pathologies related to highly oscillatory quadrature, resulting in mediocre approximation with limited features. We address this critical issue via a new Trigonometric Quadrature Fourier Feature (TQFF) method, which uses a novel non-Gaussian quadrature rule specifically tailored for the desired Fourier transform. We derive an exact quadrature rule for TQFF, along with kernel approximation error bounds for the resulting feature map. We then demonstrate the improved performance of our method over RFF and Gaussian QFF in a suite of numerical experiments and applications, and show the TQFF enjoys accurate GP approximations over a broad range of length-scales using fewer features.

Robust Principles: Architectural Design Principles for Adversarially Robust CNNs

Our research aims to unify existing works' diverging opinions on how architectural components affect the adversarial robustness of CNNs. To accomplish our goal, we synthesize a suite of three generalizable robust architectural design principles: (a) optimal range for depth and width configurations, (b) preferring convolutional over patchify stem stage, and (c) robust residual block design through adopting squeeze and excitation blocks and non-parametric smooth activation functions. Through extensive experiments across a wide spectrum of dataset scales, adversarial training methods, model parameters, and network design spaces, our principles consistently and markedly improve AutoAttack accuracy: 1-3 percentage points (pp) on CIFAR-10 and CIFAR-100, and 4-9 pp on ImageNet. The code is publicly available at https://github.com/poloclub/robust-principles.

Additive Multi-Index Gaussian process modeling, with application to multi-physics surrogate modeling of the quark-gluon plasma

The Quark-Gluon Plasma (QGP) is a unique phase of nuclear matter, theorized to have filled the Universe shortly after the Big Bang. A critical challenge in studying the QGP is that, to reconcile experimental observables with theoretical parameters, one requires many simulation runs of a complex physics model over a high-dimensional parameter space. Each run is computationally very expensive, requiring thousands of CPU hours, thus limiting physicists to only several hundred runs. Given limited training data for high-dimensional prediction, existing surrogate models often yield poor predictions with high predictive uncertainties, leading to imprecise scientific findings. To address this, we propose a new Additive Multi-Index Gaussian process (AdMIn-GP) model, which leverages a flexible additive structure on low-dimensional embeddings of the parameter space. This is guided by prior scientific knowledge that the QGP is dominated by multiple distinct physical phenomena (i.e., multiphysics), each involving a small number of latent parameters. The AdMIn-GP models for such embedded structures within a flexible Bayesian nonparametric framework, which facilitates efficient model fitting via a carefully constructed variational inference approach with inducing points. We show the effectiveness of the AdMIn-GP via a suite of numerical experiments and our QGP application, where we demonstrate considerably improved surrogate modeling performance over existing models.

Diffusion Explainer: Visual Explanation for Text-to-image Stable Diffusion

Diffusion-based generative models' impressive ability to create convincing images has captured global attention. However, their complex internal structures and operations often make them difficult for non-experts to understand. We present Diffusion Explainer, the first interactive visualization tool that explains how Stable Diffusion transforms text prompts into images. Diffusion Explainer tightly integrates a visual overview of Stable Diffusion's complex components with detailed explanations of their underlying operations, enabling users to fluidly transition between multiple levels of abstraction through animations and interactive elements. By comparing the evolutions of image representations guided by two related text prompts over refinement timesteps, users can discover the impact of prompts on image generation. Diffusion Explainer runs locally in users' web browsers without the need for installation or specialized hardware, broadening the public's education access to modern AI techniques. Our open-sourced tool is available at: https://poloclub.github.io/diffusion-explainer/. A video demo is available at https://youtu.be/Zg4gxdIWDds.

RobArch: Designing Robust Architectures against Adversarial Attacks

Adversarial Training is the most effective approach for improving the robustness of Deep Neural Networks (DNNs). However, compared to the large body of research in optimizing the adversarial training process, there are few investigations into how architecture components affect robustness, and they rarely constrain model capacity. Thus, it is unclear where robustness precisely comes from. In this work, we present the first large-scale systematic study on the robustness of DNN architecture components under fixed parameter budgets. Through our investigation, we distill 18 actionable robust network design guidelines that empower model developers to gain deep insights. We demonstrate these guidelines' effectiveness by introducing the novel Robust Architecture (RobArch) model that instantiates the guidelines to build a family of top-performing models across parameter capacities against strong adversarial attacks. RobArch achieves the new state-of-the-art AutoAttack accuracy on the RobustBench ImageNet leaderboard. The code is available at $\href{https://github.com/ShengYun-Peng/RobArch}{\text{this url}}$.

Neighboring state-based RL Exploration

Reinforcement Learning is a powerful tool to model decision-making processes. However, it relies on an exploration-exploitation trade-off that remains an open challenge for many tasks. In this work, we study neighboring state-based, model-free exploration led by the intuition that, for an early-stage agent, considering actions derived from a bounded region of nearby states may lead to better actions when exploring. We propose two algorithms that choose exploratory actions based on a survey of nearby states, and find that one of our methods, ${\rho}$-explore, consistently outperforms the Double DQN baseline in an discrete environment by 49\% in terms of Eval Reward Return.

NeuroMapper: In-browser Visualizer for Neural Network Training

We present our ongoing work NeuroMapper, an in-browser visualization tool that helps machine learning (ML) developers interpret the evolution of a model during training, providing a new way to monitor the training process and visually discover reasons for suboptimal training. While most existing deep neural networks (DNNs) interpretation tools are designed for already-trained model, NeuroMapper scalably visualizes the evolution of the embeddings of a model's blocks across training epochs, enabling real-time visualization of 40,000 embedded points. To promote the embedding visualizations' spatial coherence across epochs, NeuroMapper adapts AlignedUMAP, a recent nonlinear dimensionality reduction technique to align the embeddings. With NeuroMapper, users can explore the training dynamics of a Resnet-50 model, and adjust the embedding visualizations' parameters in real time. NeuroMapper is open-sourced at https://github.com/poloclub/NeuroMapper and runs in all modern web browsers. A demo of the tool in action is available at: https://poloclub.github.io/NeuroMapper/.

Beyond Bayes-optimality: meta-learning what you know you don't know

Meta-training agents with memory has been shown to culminate in Bayes-optimal agents, which casts Bayes-optimality as the implicit solution to a numerical optimization problem rather than an explicit modeling assumption. Bayes-optimal agents are risk-neutral, since they solely attune to the expected return, and ambiguity-neutral, since they act in new situations as if the uncertainty were known. This is in contrast to risk-sensitive agents, which additionally exploit the higher-order moments of the return, and ambiguity-sensitive agents, which act differently when recognizing situations in which they lack knowledge. Humans are also known to be averse to ambiguity and sensitive to risk in ways that aren't Bayes-optimal, indicating that such sensitivity can confer advantages, especially in safety-critical situations. How can we extend the meta-learning protocol to generate risk- and ambiguity-sensitive agents? The goal of this work is to fill this gap in the literature by showing that risk- and ambiguity-sensitivity also emerge as the result of an optimization problem using modified meta-training algorithms, which manipulate the experience-generation process of the learner. We empirically test our proposed meta-training algorithms on agents exposed to foundational classes of decision-making experiments and demonstrate that they become sensitive to risk and ambiguity.