pwc-archive/papers-with-abstracts huggingface dataset:
Adaptive learning of effective dynamics: Adaptive real-time, online modeling for complex systems
Authors: Ivica Kičić, Pantelis R. Vlachas, Georgios Arampatzis, Michail Chatzimanolakis, Leonidas Guibas, Petros Koumoutsakos
Date: 2023-04-04 00:00:00
Tasks: Weather Forecasting

Predictive simulations are essential for applications ranging from weather forecasting to material design. The veracity of these simulations hinges on their capacity to capture the effective system dynamics. Massively parallel simulations predict the systems dynamics by resolving all spatiotemporal scales, often at a cost that prevents experimentation. On the other hand, reduced order models are fast but often limited by the linearization of the system dynamics and the adopted heuristic closures. We propose a novel systematic framework that bridges large scale simulations and reduced order models to extract and forecast adaptively the effective dynamics (AdaLED) of multiscale systems. AdaLED employs an autoencoder to identify reduced-order representations of the system dynamics and an ensemble of probabilistic recurrent neural networks (RNNs) as the latent time-stepper. The framework alternates between the computational solver and the surrogate, accelerating learned dynamics while leaving yet-to-be-learned dynamics regimes to the original solver. AdaLED continuously adapts the surrogate to the new dynamics through online training. The transitions between the surrogate and the computational solver are determined by monitoring the prediction accuracy and uncertainty of the surrogate. The effectiveness of AdaLED is demonstrated on three different systems - a Van der Pol oscillator, a 2D reaction-diffusion equation, and a 2D Navier-Stokes flow past a cylinder for varying Reynolds numbers (400 up to 1200), showcasing its ability to learn effective dynamics online, detect unseen dynamics regimes, and provide net speed-ups. To the best of our knowledge, AdaLED is the first framework that couples a surrogate model with a computational solver to achieve online adaptive learning of effective dynamics. It constitutes a potent tool for applications requiring many expensive simulations.
Selective Knowledge Sharing for Privacy-Preserving Federated Distillation without A Good Teacher
Authors: Jiawei Shao, Fangzhao Wu, Jun Zhang
Date: 2023-04-04 00:00:00
Tasks: Federated Learning, Knowledge Distillation, Privacy Preserving, Transfer Learning

While federated learning is promising for privacy-preserving collaborative learning without revealing local data, it remains vulnerable to white-box attacks and struggles to adapt to heterogeneous clients. Federated distillation (FD), built upon knowledge distillation--an effective technique for transferring knowledge from a teacher model to student models--emerges as an alternative paradigm, which provides enhanced privacy guarantees and addresses model heterogeneity. Nevertheless, challenges arise due to variations in local data distributions and the absence of a well-trained teacher model, which leads to misleading and ambiguous knowledge sharing that significantly degrades model performance. To address these issues, this paper proposes a selective knowledge sharing mechanism for FD, termed Selective-FD. It includes client-side selectors and a server-side selector to accurately and precisely identify knowledge from local and ensemble predictions, respectively. Empirical studies, backed by theoretical insights, demonstrate that our approach enhances the generalization capabilities of the FD framework and consistently outperforms baseline methods.
Characterizing the contribution of dependent features in XAI methods
Authors: Ahmed Salih, Ilaria Boscolo Galazzo, Zahra Raisi-Estabragh, Steffen E. Petersen, Gloria Menegaz, Petia Radeva
Date: 2023-04-04 00:00:00
Tasks: Explainable artificial intelligence, Explainable Artificial Intelligence (XAI)

Explainable Artificial Intelligence (XAI) provides tools to help understanding how the machine learning models work and reach a specific outcome. It helps to increase the interpretability of models and makes the models more trustworthy and transparent. In this context, many XAI methods were proposed being SHAP and LIME the most popular. However, the proposed methods assume that used predictors in the machine learning models are independent which in general is not necessarily true. Such assumption casts shadows on the robustness of the XAI outcomes such as the list of informative predictors. Here, we propose a simple, yet useful proxy that modifies the outcome of any XAI feature ranking method allowing to account for the dependency among the predictors. The proposed approach has the advantage of being model-agnostic as well as simple to calculate the impact of each predictor in the model in presence of collinearity.
Learning and Concentration for High Dimensional Linear Gaussians: an Invariant Subspace Approach
Authors: Muhammad Abdullah Naeem
Date: 2023-04-04 00:00:00

In this work, we study non-asymptotic bounds on correlation between two time realizations of stable linear systems with isotropic Gaussian noise. Consequently, via sampling from a sub-trajectory and using \emph{Talagrands'} inequality, we show that empirical averages of reward concentrate around steady state (dynamical system mixes to when closed loop system is stable under linear feedback policy ) reward , with high-probability. As opposed to common belief of larger the spectral radius stronger the correlation between samples, \emph{large discrepancy between algebraic and geometric multiplicity of system eigenvalues leads to large invariant subspaces related to system-transition matrix}; once the system enters the large invariant subspace it will travel away from origin for a while before coming close to a unit ball centered at origin where an isotropic Gaussian noise can with high probability allow it to escape the current invariant subspace it resides in, leading to \emph{bottlenecks} between different invariant subspaces that span $\mathbb{R}^{n}$, to be precise : system initiated in a large invariant subspace will be stuck there for a long-time: log-linear in dimension of the invariant subspace and inversely to log of inverse of magnitude of the eigenvalue. In the problem of Ordinary Least Squares estimate of system transition matrix via a single trajectory, this phenomenon is even more evident if spectrum of transition matrix associated to large invariant subspace is explosive and small invariant subspaces correspond to stable eigenvalues. Our analysis provide first interpretable and geometric explanation into intricacies of learning and concentration for random dynamical systems on continuous, high dimensional state space; exposing us to surprises in high dimensions
Optimal Transport for Correctional Learning
Authors: Rebecka Winqvist, Inês Lourenco, Francesco Quinzan, Cristian R. Rojas, Bo Wahlberg
Date: 2023-04-04 00:00:00
Tasks: parameter estimation

The contribution of this paper is a generalized formulation of correctional learning using optimal transport, which is about how to optimally transport one mass distribution to another. Correctional learning is a framework developed to enhance the accuracy of parameter estimation processes by means of a teacher-student approach. In this framework, an expert agent, referred to as the teacher, modifies the data used by a learning agent, known as the student, to improve its estimation process. The objective of the teacher is to alter the data such that the student's estimation error is minimized, subject to a fixed intervention budget. Compared to existing formulations of correctional learning, our novel optimal transport approach provides several benefits. It allows for the estimation of more complex characteristics as well as the consideration of multiple intervention policies for the teacher. We evaluate our approach on two theoretical examples, and on a human-robot interaction application in which the teacher's role is to improve the robots performance in an inverse reinforcement learning setting.
Denoising Diffusion Probabilistic Models to Predict the Density of Molecular Clouds
Authors: Duo Xu, Jonathan C. Tan, Chia-Jung Hsu, Ye Zhu
Date: 2023-04-04 00:00:00
Tasks: Denoising

We introduce the state-of-the-art deep learning Denoising Diffusion Probabilistic Model (DDPM) as a method to infer the volume or number density of giant molecular clouds (GMCs) from projected mass surface density maps. We adopt magnetohydrodynamic simulations with different global magnetic field strengths and large-scale dynamics, i.e., noncolliding and colliding GMCs. We train a diffusion model on both mass surface density maps and their corresponding mass-weighted number density maps from different viewing angles for all the simulations. We compare the diffusion model performance with a more traditional empirical two-component and three-component power-law fitting method and with a more traditional neural network machine learning approach (CASI-2D). We conclude that the diffusion model achieves an order of magnitude improvement on the accuracy of predicting number density compared to that by other methods. We apply the diffusion method to some example astronomical column density maps of Taurus and the Infrared Dark Clouds (IRDCs) G28.37+0.07 and G35.39-0.33 to produce maps of their mean volume densities.
De-novo Identification of Small Molecules from Their GC-EI-MS Spectra
Authors: Adam Hájek, Michal Starý, Filip Jozefov, Helge Hecht, Elliott Price, Aleš Křenek
Date: 2023-04-04 00:00:00

Identification of experimentally acquired mass spectra of unknown compounds presents a~particular challenge because reliable spectral databases do not cover the potential chemical space with sufficient density. Therefore machine learning based \emph{de-novo} methods, which derive molecular structure directly from its mass spectrum gained attention recently. We present a~novel method in this family, addressing a~specific usecase of GC-EI-MS spectra, which is particularly hard due to lack of additional information from the first stage of MS/MS experiments, on which the previously published methods rely. We analyze strengths and drawbacks or our approach and discuss future directions.
Equivariant Parameter Sharing for Porous Crystalline Materials
Authors: Marko Petković, Pablo Romero-Marimon, Vlado Menkovski, Sofia Calero
Date: 2023-04-04 00:00:00
Tasks: Property Prediction

Efficiently predicting properties of porous crystalline materials has great potential to accelerate the high throughput screening process for developing new materials, as simulations carried out using first principles model are often computationally expensive. To effectively make use of Deep Learning methods to model these materials, we need to utilize the symmetries present in the crystals, which are defined by their space group. Existing methods for crystal property prediction either have symmetry constraints that are too restrictive or only incorporate symmetries between unit cells. In addition, these models do not explicitly model the porous structure of the crystal. In this paper, we develop a model which incorporates the symmetries of the unit cell of a crystal in its architecture and explicitly models the porous structure. We evaluate our model by predicting the heat of adsorption of CO$_2$ for different configurations of the mordenite zeolite. Our results confirm that our method performs better than existing methods for crystal property prediction and that the inclusion of pores results in a more efficient model.
Arrhythmia Classifier Based on Ultra-Lightweight Binary Neural Network
Authors: Ninghao Pu, Zhongxing Wu, Ao Wang, Hanshi Sun, Zijin Liu, Hao liu
Date: 2023-04-04 00:00:00
Tasks: Binarization, Classification, Deep Learning, ECG Classification

Reasonably and effectively monitoring arrhythmias through ECG signals has significant implications for human health. With the development of deep learning, numerous ECG classification algorithms based on deep learning have emerged. However, most existing algorithms trade off high accuracy for complex models, resulting in high storage usage and power consumption. This also inevitably increases the difficulty of implementation on wearable Artificial Intelligence-of-Things (AIoT) devices with limited resources. In this study, we proposed a universally applicable ultra-lightweight binary neural network(BNN) that is capable of 5-class and 17-class arrhythmia classification based on ECG signals. Our BNN achieves 96.90% (full precision 97.09%) and 97.50% (full precision 98.00%) accuracy for 5-class and 17-class classification, respectively, with state-of-the-art storage usage (3.76 KB and 4.45 KB). Compared to other binarization works, our approach excels in supporting two multi-classification modes while achieving the smallest known storage space. Moreover, our model achieves optimal accuracy in 17-class classification and boasts an elegantly simple network architecture. The algorithm we use is optimized specifically for hardware implementation. Our research showcases the potential of lightweight deep learning models in the healthcare industry, specifically in wearable medical devices, which hold great promise for improving patient outcomes and quality of life. Code is available on: https://github.com/xpww/ECG_BNN_Net
Optimal rates of approximation by shallow ReLU$^k$ neural networks and applications to nonparametric regression
Authors: Yunfei Yang, Ding-Xuan Zhou
Date: 2023-04-04 00:00:00
Tasks: regression

We study the approximation capacity of some variation spaces corresponding to shallow ReLU$^k$ neural networks. It is shown that sufficiently smooth functions are contained in these spaces with finite variation norms. For functions with less smoothness, the approximation rates in terms of the variation norm are established. Using these results, we are able to prove the optimal approximation rates in terms of the number of neurons for shallow ReLU$^k$ neural networks. It is also shown how these results can be used to derive approximation bounds for deep neural networks and convolutional neural networks (CNNs). As applications, we study convergence rates for nonparametric regression using three ReLU neural network models: shallow neural network, over-parameterized neural network, and CNN. In particular, we show that shallow neural networks can achieve the minimax optimal rates for learning H\"older functions, which complements recent results for deep neural networks. It is also proven that over-parameterized (deep or shallow) neural networks can achieve nearly optimal rates for nonparametric regression.
Heating and dynamics of the Solar atmosphere
Authors: Vishal Upendran
Date: 2023-04-04 00:00:00

The solar atmosphere shows anomalous variation in temperature, starting from the 5500 K photosphere to the million-degree Kelvin corona. The corona itself expands into the interstellar medium as the free streaming solar wind, which modulates and impacts the near-Earth space weather. The precise source regions of different structures in the solar wind, their formation height, and the heating of the solar atmosphere are inextricably linked and unsolved problems in astrophysics. Observations suggest correlations between Coronal holes (CHs), which are cool, intensity deficit structures in the solar corona, with structures in the solar wind. Observations also suggest the local plasma heating in the corona through power-law distributed impulsive events. In this thesis, we use narrowband photometric, spectroscopic, and disc-integrated emission of the solar atmosphere ranging from Near Ultraviolet to X-rays along with in-situ solar wind measurements to understand (i). the source regions of the solar wind, (ii). the underlying mechanism of solar coronal heating, and (iii). the differentiation in dynamics of CHs with the background Quiet Sun (QS) regions, which do not show any significant signature of the solar wind. We leverage machine learning and numerical modeling tools to develop solar wind forecasting codes using interpretable AI, inversion codes to infer the properties of impulsive events and to understand the differences in the thermodynamics of CHs and QS regions. We finally present a unified scenario of solar wind emergence and heating in the solar atmosphere and discuss the implications of inferences from this thesis.
Effects of spatiotemporal correlations in wind data on neural network-based wind predictions
Authors: Heesoo Shin, Mario Rüttgers, Sangseung Lee
Date: 2023-04-04 00:00:00

This paper investigates the influence of incorporating spatiotemporal wind data on the performance of wind forecasting neural networks. While previous studies have shown that including spatial data enhances the accuracy of such models, limited research has explored the impact of different spatial and temporal scales of input wind data on the learnability of neural network models. In this study, convolutional neural networks (CNNs) are employed and trained using various scales of spatiotemporal wind data. The research demonstrates that using spatiotemporally correlated data from the surrounding area and past time steps for training a CNN favorably affects the predictive performance of the model. The study proposes correlation analyses, including autocorrelation and Pearson correlation analyses, to unveil the influence of spatiotemporal wind characteristics on the predictive performance of different CNN models. The spatiotemporal correlations and performances of CNN models are investigated in three regions: Korea, the USA, and the UK. The findings reveal that regions with smaller deviations of autocorrelation coefficients (ACC) are more favorable for CNNs to learn the regional and seasonal wind characteristics. Specifically, the regions of Korea, the USA, and the UK exhibit maximum standard deviations of ACCs of 0.100, 0.043, and 0.023, respectively. The CNNs wind prediction performances follow the reverse order of the regions: UK, USA, and Korea. This highlights the significant impact of regional and seasonal wind conditions on the performance of the prediction models.
Privacy Amplification via Compression: Achieving the Optimal Privacy-Accuracy-Communication Trade-off in Distributed Mean Estimation
Date: 2023-04-04 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Federated Learning

Privacy and communication constraints are two major bottlenecks in federated learning (FL) and analytics (FA). We study the optimal accuracy of mean and frequency estimation (canonical models for FL and FA respectively) under joint communication and $(\varepsilon, \delta)$-differential privacy (DP) constraints. We show that in order to achieve the optimal error under $(\varepsilon, \delta)$-DP, it is sufficient for each client to send $\Theta\left( n \min\left(\varepsilon, \varepsilon^2\right)\right)$ bits for FL and $\Theta\left(\log\left( n\min\left(\varepsilon, \varepsilon^2\right) \right)\right)$ bits for FA to the server, where $n$ is the number of participating clients. Without compression, each client needs $O(d)$ bits and $\log d$ bits for the mean and frequency estimation problems respectively (where $d$ corresponds to the number of trainable parameters in FL or the domain size in FA), which means that we can get significant savings in the regime $ n \min\left(\varepsilon, \varepsilon^2\right) = o(d)$, which is often the relevant regime in practice. Our algorithms leverage compression for privacy amplification: when each client communicates only partial information about its sample, we show that privacy can be amplified by randomly selecting the part contributed by each client.
Online Learning with Adversaries: A Differential-Inclusion Analysis
Authors: Swetha Ganesh, Alexandre Reiffers-Masson, Gugan Thoppe
Date: 2023-04-04 00:00:00
Tasks: Federated Learning

We introduce an observation-matrix-based framework for fully asynchronous online Federated Learning (FL) with adversaries. In this work, we demonstrate its effectiveness in estimating the mean of a random vector. Our main result is that the proposed algorithm almost surely converges to the desired mean $\mu.$ This makes ours the first asynchronous FL method to have an a.s. convergence guarantee in the presence of adversaries. We derive this convergence using a novel differential-inclusion-based two-timescale analysis. Two other highlights of our proof include (a) the use of a novel Lyapunov function to show that $\mu$ is the unique global attractor for our algorithm's limiting dynamics, and (b) the use of martingale and stopping-time theory to show that our algorithm's iterates are almost surely bounded.
SLPerf: a Unified Framework for Benchmarking Split Learning
Authors: Tianchen Zhou, Zhanyi Hu, Bingzhe Wu, Cen Chen
Date: 2023-04-04 00:00:00
Tasks: Benchmarking, Diversity, Federated Learning

Data privacy concerns has made centralized training of data, which is scattered across silos, infeasible, leading to the need for collaborative learning frameworks. To address that, two prominent frameworks emerged, i.e., federated learning (FL) and split learning (SL). While FL has established various benchmark frameworks and research libraries,SL currently lacks a unified library despite its diversity in terms of label sharing, model aggregation, and cut layer choice. This lack of standardization makes comparing SL paradigms difficult. To address this, we propose SLPerf, a unified research framework and open research library for SL, and conduct extensive experiments on four widely-used datasets under both IID and Non-IID data settings. Our contributions include a comprehensive survey of recently proposed SL paradigms, a detailed benchmark comparison of different SL paradigms in different situations, and rich engineering take-away messages and research insights for improving SL paradigms. SLPerf can facilitate SL algorithm development and fair performance comparisons. The code is available at https://github.com/Rainysponge/Split-learning-Attacks .
Physics-aware Roughness Optimization for Diffractive Optical Neural Networks
Authors: Shanglin Zhou, Yingjie Li, Minhan Lou, Weilu Gao, Zhijie Shi, Cunxi Yu, Caiwen Ding
Date: 2023-04-04 00:00:00

As a representative next-generation device/circuit technology beyond CMOS, diffractive optical neural networks (DONNs) have shown promising advantages over conventional deep neural networks due to extreme fast computation speed (light speed) and low energy consumption. However, there is a mismatch, i.e., significant prediction accuracy loss, between the DONN numerical modelling and physical optical device deployment, because of the interpixel interaction within the diffractive layers. In this work, we propose a physics-aware diffractive optical neural network training framework to reduce the performance difference between numerical modeling and practical deployment. Specifically, we propose the roughness modeling regularization in the training process and integrate the physics-aware sparsification method to introduce sparsity to the phase masks to reduce sharp phase changes between adjacent pixels in diffractive layers. We further develop $2\pi$ periodic optimization to reduce the roughness of the phase masks to preserve the performance of DONN. Experiment results demonstrate that, compared to state-of-the-arts, our physics-aware optimization can provide $35.7\%$, $34.2\%$, $28.1\%$, and $27.3\%$ reduction in roughness with only accuracy loss on MNIST, FMNIST, KMNIST, and EMNIST, respectively.