DeepONet as a Multi-Operator Extrapolation Model: Distributed Pretraining with Physics-Informed Fine-Tuning

We propose a novel fine-tuning method to achieve multi-operator learning through training a distributed neural operator with diverse function data and then zero-shot fine-tuning the neural network using physics-informed losses for downstream tasks. Operator learning effectively approximates solution operators for PDEs and various PDE-related problems, yet it often struggles to generalize to new tasks. To address this, we investigate fine-tuning a pretrained model, while carefully selecting an initialization that enables rapid adaptation to new tasks with minimal data. Our approach combines distributed learning to integrate data from various operators in pre-training, while physics-informed methods enable zero-shot fine-tuning, minimizing the reliance on downstream data. We investigate standard fine-tuning and Low-Rank Adaptation fine-tuning, applying both to train complex nonlinear target operators that are difficult to learn only using random initialization. Through comprehensive numerical examples, we demonstrate the advantages of our approach, showcasing significant improvements in accuracy. Our findings provide a robust framework for advancing multi-operator learning and highlight the potential of transfer learning techniques in this domain.

LES-SINDy: Laplace-Enhanced Sparse Identification of Nonlinear Dynamical Systems

Sparse Identification of Nonlinear Dynamical Systems (SINDy) is a powerful tool for the data-driven discovery of governing equations. However, it encounters challenges when modeling complex dynamical systems involving high-order derivatives or discontinuities, particularly in the presence of noise. These limitations restrict its applicability across various fields in applied mathematics and physics. To mitigate these, we propose Laplace-Enhanced SparSe Identification of Nonlinear Dynamical Systems (LES-SINDy). By transforming time-series measurements from the time domain to the Laplace domain using the Laplace transform and integration by parts, LES-SINDy enables more accurate approximations of derivatives and discontinuous terms. It also effectively handles unbounded growth functions and accumulated numerical errors in the Laplace domain, thereby overcoming challenges in the identification process. The model evaluation process selects the most accurate and parsimonious dynamical systems from multiple candidates. Experimental results across diverse ordinary and partial differential equations show that LES-SINDy achieves superior robustness, accuracy, and parsimony compared to existing methods.

Conformalized Prediction of Post-Fault Voltage Trajectories Using Pre-trained and Finetuned Attention-Driven Neural Operators

This paper proposes a new data-driven methodology for predicting intervals of post-fault voltage trajectories in power systems. We begin by introducing the Quantile Attention-Fourier Deep Operator Network (QAF-DeepONet), designed to capture the complex dynamics of voltage trajectories and reliably estimate quantiles of the target trajectory without any distributional assumptions. The proposed operator regression model maps the observed portion of the voltage trajectory to its unobserved post-fault trajectory. Our methodology employs a pre-training and fine-tuning process to address the challenge of limited data availability. To ensure data privacy in learning the pre-trained model, we use merging via federated learning with data from neighboring buses, enabling the model to learn the underlying voltage dynamics from such buses without directly sharing their data. After pre-training, we fine-tune the model with data from the target bus, allowing it to adapt to unique dynamics and operating conditions. Finally, we integrate conformal prediction into the fine-tuned model to ensure coverage guarantees for the predicted intervals. We evaluated the performance of the proposed methodology using the New England 39-bus test system considering detailed models of voltage and frequency controllers. Two metrics, Prediction Interval Coverage Probability (PICP) and Prediction Interval Normalized Average Width (PINAW), are used to numerically assess the model's performance in predicting intervals. The results show that the proposed approach offers practical and reliable uncertainty quantification in predicting the interval of post-fault voltage trajectories.

Where to Build Food Banks and Pantries: A Two-Level Machine Learning Approach

Over 44 million Americans currently suffer from food insecurity, of whom 13 million are children. Across the United States, thousands of food banks and pantries serve as vital sources of food and other forms of aid for food insecure families. By optimizing food bank and pantry locations, food would become more accessible to families who desperately require it. In this work, we introduce a novel two-level optimization framework, which utilizes the K-Medoids clustering algorithm in conjunction with the Open-Source Routing Machine engine, to optimize food bank and pantry locations based on real road distances to houses and house blocks. Our proposed framework also has the adaptability to factor in considerations such as median household income using a pseudo-weighted K-Medoids algorithm. Testing conducted with California and Indiana household data, as well as comparisons with real food bank and pantry locations showed that interestingly, our proposed framework yields food pantry locations superior to those of real existing ones and saves significant distance for households, while there is a marginal penalty on the first level food bank to food pantry distance. Overall, we believe that the second-level benefits of this framework far outweigh any drawbacks and yield a net benefit result.

Adversarial Vulnerability as a Consequence of On-Manifold Inseparibility

Recent works have shown theoretically and empirically that redundant data dimensions are a source of adversarial vulnerability. However, the inverse doesn't seem to hold in practice; employing dimension-reduction techniques doesn't exhibit robustness as expected. In this work, we consider classification tasks and characterize the data distribution as a low-dimensional manifold, with high/low variance features defining the on/off manifold direction. We argue that clean training experiences poor convergence in the off-manifold direction caused by the ill-conditioning in widely used first-order optimizers like gradient descent. The poor convergence then acts as a source of adversarial vulnerability when the dataset is inseparable in the on-manifold direction. We provide theoretical results for logistic regression and a 2-layer linear network on the considered data distribution. Furthermore, we advocate using second-order methods that are immune to ill-conditioning and lead to better robustness. We perform experiments and exhibit tremendous robustness improvements in clean training through long training and the employment of second-order methods, corroborating our framework. Additionally, we find the inclusion of batch-norm layers hinders such robustness gains. We attribute this to differing implicit biases between traditional and batch-normalized neural networks.

Bayesian Federated Learning with Hamiltonian Monte Carlo: Algorithm and Theory

This work introduces a novel and efficient Bayesian federated learning algorithm, namely, the Federated Averaging stochastic Hamiltonian Monte Carlo (FA-HMC), for parameter estimation and uncertainty quantification. We establish rigorous convergence guarantees of FA-HMC on non-iid distributed data sets, under the strong convexity and Hessian smoothness assumptions. Our analysis investigates the effects of parameter space dimension, noise on gradients and momentum, and the frequency of communication (between the central node and local nodes) on the convergence and communication costs of FA-HMC. Beyond that, we establish the tightness of our analysis by showing that the convergence rate cannot be improved even for continuous FA-HMC process. Moreover, extensive empirical studies demonstrate that FA-HMC outperforms the existing Federated Averaging-Langevin Monte Carlo (FA-LD) algorithm.

Large Language Model Sentinel: Advancing Adversarial Robustness by LLM Agent

Over the past two years, the use of large language models (LLMs) has advanced rapidly. While these LLMs offer considerable convenience, they also raise security concerns, as LLMs are vulnerable to adversarial attacks by some well-designed textual perturbations. In this paper, we introduce a novel defense technique named Large LAnguage MOdel Sentinel (LLAMOS), which is designed to enhance the adversarial robustness of LLMs by purifying the adversarial textual examples before feeding them into the target LLM. Our method comprises two main components: a) Agent instruction, which can simulate a new agent for adversarial defense, altering minimal characters to maintain the original meaning of the sentence while defending against attacks; b) Defense guidance, which provides strategies for modifying clean or adversarial examples to ensure effective defense and accurate outputs from the target LLMs. Remarkably, the defense agent demonstrates robust defensive capabilities even without learning from adversarial examples. Additionally, we conduct an intriguing adversarial experiment where we develop two agents, one for defense and one for defense, and engage them in mutual confrontation. During the adversarial interactions, neither agent completely beat the other. Extensive experiments on both open-source and closed-source LLMs demonstrate that our method effectively defends against adversarial attacks, thereby enhancing adversarial robustness.

Constrained Exploration via Reflected Replica Exchange Stochastic Gradient Langevin Dynamics

Replica exchange stochastic gradient Langevin dynamics (reSGLD) is an effective sampler for non-convex learning in large-scale datasets. However, the simulation may encounter stagnation issues when the high-temperature chain delves too deeply into the distribution tails. To tackle this issue, we propose reflected reSGLD (r2SGLD): an algorithm tailored for constrained non-convex exploration by utilizing reflection steps within a bounded domain. Theoretically, we observe that reducing the diameter of the domain enhances mixing rates, exhibiting a \emph{quadratic} behavior. Empirically, we test its performance through extensive experiments, including identifying dynamical systems with physical constraints, simulations of constrained multi-modal distributions, and image classification tasks. The theoretical and empirical findings highlight the crucial role of constrained exploration in improving the simulation efficiency.

Robust Diffusion Models for Adversarial Purification

Diffusion models (DMs) based adversarial purification (AP) has shown to be the most powerful alternative to adversarial training (AT). However, these methods neglect the fact that pre-trained diffusion models themselves are not robust to adversarial attacks as well. Additionally, the diffusion process can easily destroy semantic information and generate a high quality image but totally different from the original input image after the reverse process, leading to degraded standard accuracy. To overcome these issues, a natural idea is to harness adversarial training strategy to retrain or fine-tune the pre-trained diffusion model, which is computationally prohibitive. We propose a novel robust reverse process with adversarial guidance, which is independent of given pre-trained DMs and avoids retraining or fine-tuning the DMs. This robust guidance can not only ensure to generate purified examples retaining more semantic content but also mitigate the accuracy-robustness trade-off of DMs for the first time, which also provides DM-based AP an efficient adaptive ability to new attacks. Extensive experiments are conducted to demonstrate that our method achieves the state-of-the-art results and exhibits generalization against different attacks.

Conformalized-DeepONet: A Distribution-Free Framework for Uncertainty Quantification in Deep Operator Networks

In this paper, we adopt conformal prediction, a distribution-free uncertainty quantification (UQ) framework, to obtain confidence prediction intervals with coverage guarantees for Deep Operator Network (DeepONet) regression. Initially, we enhance the uncertainty quantification frameworks (B-DeepONet and Prob-DeepONet) previously proposed by the authors by using split conformal prediction. By combining conformal prediction with our Prob- and B-DeepONets, we effectively quantify uncertainty by generating rigorous confidence intervals for DeepONet prediction. Additionally, we design a novel Quantile-DeepONet that allows for a more natural use of split conformal prediction. We refer to this distribution-free effective uncertainty quantification framework as split conformal Quantile-DeepONet regression. Finally, we demonstrate the effectiveness of the proposed methods using various ordinary, partial differential equation numerical examples, and multi-fidelity learning.