pwc-archive/papers-with-abstracts huggingface dataset:
Reverse Diffusion Monte Carlo
Authors: Xunpeng Huang, Hanze Dong, Yifan Hao, Yi-An Ma, Tong Zhang
Date: 2023-07-05 00:00:00

We propose a Monte Carlo sampler from the reverse diffusion process. Unlike the practice of diffusion models, where the intermediary updates -- the score functions -- are learned with a neural network, we transform the score matching problem into a mean estimation one. By estimating the means of the regularized posterior distributions, we derive a novel Monte Carlo sampling algorithm called reverse diffusion Monte Carlo (rdMC), which is distinct from the Markov chain Monte Carlo (MCMC) methods. We determine the sample size from the error tolerance and the properties of the posterior distribution to yield an algorithm that can approximately sample the target distribution with any desired accuracy. Additionally, we demonstrate and prove under suitable conditions that sampling with rdMC can be significantly faster than that with MCMC. For multi-modal target distributions such as those in Gaussian mixture models, rdMC greatly improves over the Langevin-style MCMC sampling methods both theoretically and in practice. The proposed rdMC method offers a new perspective and solution beyond classical MCMC algorithms for the challenging complex distributions.
Ranking with Abstention
Authors: Anqi Mao, Mehryar Mohri, Yutao Zhong
Date: 2023-07-05 00:00:00

We introduce a novel framework of ranking with abstention, where the learner can abstain from making prediction at some limited cost $c$. We present a extensive theoretical analysis of this framework including a series of $H$-consistency bounds for both the family of linear functions and that of neural networks with one hidden-layer. These theoretical guarantees are the state-of-the-art consistency guarantees in the literature, which are upper bounds on the target loss estimation error of a predictor in a hypothesis set $H$, expressed in terms of the surrogate loss estimation error of that predictor. We further argue that our proposed abstention methods are important when using common equicontinuous hypothesis sets in practice. We report the results of experiments illustrating the effectiveness of ranking with abstention.
Improving Automatic Parallel Training via Balanced Memory Workload Optimization
Authors: Yujie Wang, Youhe Jiang, Xupeng Miao, Fangcheng Fu, Shenhan Zhu, Xiaonan Nie, Yaofeng Tu, Bin Cui
Date: 2023-07-05 00:00:00
Tasks: GPU, Navigate

Transformer models have emerged as the leading approach for achieving state-of-the-art performance across various application domains, serving as the foundation for advanced large-scale deep learning (DL) models. However, efficiently training these models across multiple GPUs remains a complex challenge due to the abundance of parallelism options. Existing DL systems either require manual efforts to design distributed training plans or limit parallelism combinations to a constrained search space. In this paper, we present Galvatron-BMW, a novel system framework that integrates multiple prevalent parallelism dimensions and automatically identifies the most efficient hybrid parallelism strategy. To effectively navigate this vast search space, we employ a decision tree approach for decomposition and pruning based on intuitive insights. We further utilize a dynamic programming search algorithm to derive the optimal plan. Moreover, to improve resource utilization and enhance system efficiency, we propose a bi-objective optimization workflow that focuses on workload balance. Our evaluations on different Transformer models demonstrate the capabilities of Galvatron-BMW in automating distributed training under varying GPU memory constraints. Across all tested scenarios, Galvatron-BMW consistently achieves superior system throughput, surpassing previous approaches that rely on limited parallelism strategies.
Using Random Effects Machine Learning Algorithms to Identify Vulnerability to Depression
Authors: Runa Bhaumik, Jonathan Stange
Date: 2023-07-05 00:00:00

Background: Reliable prediction of clinical progression over time can improve the outcomes of depression. Little work has been done integrating various risk factors for depression, to determine the combinations of factors with the greatest utility for identifying which individuals are at the greatest risk. Method: This study demonstrates that data-driven machine learning (ML) methods such as RE-EM (Random Effects/Expectation Maximization) trees and MERF (Mixed Effects Random Forest) can be applied to reliably identify variables that have the greatest utility for classifying subgroups at greatest risk for depression. 185 young adults completed measures of depression risk, including rumination, worry, negative cognitive styles, cognitive and coping flexibilities, and negative life events, along with symptoms of depression. We trained RE-EM trees and MERF algorithms and compared them to traditional linear mixed models (LMMs) predicting depressive symptoms prospectively and concurrently with cross-validation. Results: Our results indicated that the RE-EM tree and MERF methods model complex interactions, identify subgroups of individuals and predict depression severity comparable to LMM. Further, machine learning models determined that brooding, negative life events, negative cognitive styles, and perceived control were the most relevant predictors of future depression levels. Conclusions: Random effects machine learning models have the potential for high clinical utility and can be leveraged for interventions to reduce vulnerability to depression.
Dynamic Feature-based Deep Reinforcement Learning for Flow Control of Circular Cylinder with Sparse Surface Pressure Sensing
Authors: Qiulei Wang, Lei Yan, Gang Hu, Wenli Chen, Jean Rabault, Bernd R. Noack
Date: 2023-07-05 00:00:00
Tasks: Deep Reinforcement Learning, Self-Learning

This study proposes a self-learning algorithm for closed-loop cylinder wake control targeting lower drag and lower lift fluctuations with the additional challenge of sparse sensor information, taking deep reinforcement learning as the starting point. DRL performance is significantly improved by lifting the sensor signals to dynamic features (DF), which predict future flow states. The resulting dynamic feature-based DRL (DF-DRL) automatically learns a feedback control in the plant without a dynamic model. Results show that the drag coefficient of the DF-DRL model is 25% less than the vanilla model based on direct sensor feedback. More importantly, using only one surface pressure sensor, DF-DRL can reduce the drag coefficient to a state-of-the-art performance of about 8% at Re = 100 and significantly mitigate lift coefficient fluctuations. Hence, DF-DRL allows the deployment of sparse sensing of the flow without degrading the control performance. This method also shows good robustness in controlling flow under higher Reynolds numbers, which reduces the drag coefficient by 32.2% and 46.55% at Re = 500 and 1000, respectively, indicating the broad applicability of the method. Since surface pressure information is more straightforward to measure in realistic scenarios than flow velocity information, this study provides a valuable reference for experimentally designing the active flow control of a circular cylinder based on wall pressure signals, which is an essential step toward further developing intelligent control in realistic multi-input multi-output (MIMO) system.
Algorithme EM régularisé
Authors: Pierre Houdouin, Matthieu Jonkcheere, Frederic Pascal
Date: 2023-07-04 00:00:00
Tasks: Clustering

Expectation-Maximization (EM) algorithm is a widely used iterative algorithm for computing maximum likelihood estimate when dealing with Gaussian Mixture Model (GMM). When the sample size is smaller than the data dimension, this could lead to a singular or poorly conditioned covariance matrix and, thus, to performance reduction. This paper presents a regularized version of the EM algorithm that efficiently uses prior knowledge to cope with a small sample size. This method aims to maximize a penalized GMM likelihood where regularized estimation may ensure positive definiteness of covariance matrix updates by shrinking the estimators towards some structured target covariance matrices. Finally, experiments on real data highlight the good performance of the proposed algorithm for clustering purposes
FEMDA: Une méthode de classification robuste et flexible
Authors: Pierre Houdouin, Matthieu Jonckheere, Frederic Pascal
Date: 2023-07-04 00:00:00
Tasks: Classification

Linear and Quadratic Discriminant Analysis (LDA and QDA) are well-known classical methods but can heavily suffer from non-Gaussian distributions and/or contaminated datasets, mainly because of the underlying Gaussian assumption that is not robust. This paper studies the robustness to scale changes in the data of a new discriminant analysis technique where each data point is drawn by its own arbitrary Elliptically Symmetrical (ES) distribution and its own arbitrary scale parameter. Such a model allows for possibly very heterogeneous, independent but non-identically distributed samples. The new decision rule derived is simple, fast, and robust to scale changes in the data compared to other state-of-the-art method
A Neural Network-Based Enrichment of Reproducing Kernel Approximation for Modeling Brittle Fracture
Authors: Jonghyuk Baek, Jiun-Shyan Chen
Date: 2023-07-04 00:00:00
Tasks: Unity

Numerical modeling of localizations is a challenging task due to the evolving rough solution in which the localization paths are not predefined. Despite decades of efforts, there is a need for innovative discretization-independent computational methods to predict the evolution of localizations. In this work, an improved version of the neural network-enhanced Reproducing Kernel Particle Method (NN-RKPM) is proposed for modeling brittle fracture. In the proposed method, a background reproducing kernel (RK) approximation defined on a coarse and uniform discretization is enriched by a neural network (NN) approximation under a Partition of Unity framework. In the NN approximation, the deep neural network automatically locates and inserts regularized discontinuities in the function space. The NN-based enrichment functions are then patched together with RK approximation functions using RK as a Partition of Unity patching function. The optimum NN parameters defining the location, orientation, and displacement distribution across location together with RK approximation coefficients are obtained via the energy-based loss function minimization. To regularize the NN-RK approximation, a constraint on the spatial gradient of the parametric coordinates is imposed in the loss function. Analysis of the convergence properties shows that the solution convergence of the proposed method is guaranteed. The effectiveness of the proposed method is demonstrated by a series of numerical examples involving damage propagation and branching.
Stability Analysis Framework for Particle-based Distance GANs with Wasserstein Gradient Flow
Authors: Chuqi Chen, Yue Wu, Yang Xiang
Date: 2023-07-04 00:00:00

In this paper, we investigate the training process of generative networks that use a type of probability density distance named particle-based distance as the objective function, e.g. MMD GAN, Cram\'er GAN, EIEG GAN. However, these GANs often suffer from the problem of unstable training. In this paper, we analyze the stability of the training process of these GANs from the perspective of probability density dynamics. In our framework, we regard the discriminator $D$ in these GANs as a feature transformation mapping that maps high dimensional data into a feature space, while the generator $G$ maps random variables to samples that resemble real data in terms of feature space. This perspective enables us to perform stability analysis for the training of GANs using the Wasserstein gradient flow of the probability density function. We find that the training process of the discriminator is usually unstable due to the formulation of $\min_G \max_D E(G, D)$ in GANs. To address this issue, we add a stabilizing term in the discriminator loss function. We conduct experiments to validate our stability analysis and stabilizing method.
Fast Private Kernel Density Estimation via Locality Sensitive Quantization
Authors: Tal Wagner, Yonatan Naamad, Nina Mishra
Date: 2023-07-04 00:00:00
Tasks: Density Estimation, Quantization

We study efficient mechanisms for differentially private kernel density estimation (DP-KDE). Prior work for the Gaussian kernel described algorithms that run in time exponential in the number of dimensions $d$. This paper breaks the exponential barrier, and shows how the KDE can privately be approximated in time linear in $d$, making it feasible for high-dimensional data. We also present improved bounds for low-dimensional data. Our results are obtained through a general framework, which we term Locality Sensitive Quantization (LSQ), for constructing private KDE mechanisms where existing KDE approximation techniques can be applied. It lets us leverage several efficient non-private KDE methods -- like Random Fourier Features, the Fast Gauss Transform, and Locality Sensitive Hashing -- and ``privatize'' them in a black-box manner. Our experiments demonstrate that our resulting DP-KDE mechanisms are fast and accurate on large datasets in both high and low dimensions.
Approximate, Adapt, Anonymize (3A): a Framework for Privacy Preserving Training Data Release for Machine Learning
Authors: Tamas Madl, Weijie Xu, Olivia Choudhury, Matthew Howard
Date: 2023-07-04 00:00:00
Tasks: Privacy Preserving, Synthetic Data Generation

The availability of large amounts of informative data is crucial for successful machine learning. However, in domains with sensitive information, the release of high-utility data which protects the privacy of individuals has proven challenging. Despite progress in differential privacy and generative modeling for privacy-preserving data release in the literature, only a few approaches optimize for machine learning utility: most approaches only take into account statistical metrics on the data itself and fail to explicitly preserve the loss metrics of machine learning models that are to be subsequently trained on the generated data. In this paper, we introduce a data release framework, 3A (Approximate, Adapt, Anonymize), to maximize data utility for machine learning, while preserving differential privacy. We also describe a specific implementation of this framework that leverages mixture models to approximate, kernel-inducing points to adapt, and Gaussian differential privacy to anonymize a dataset, in order to ensure that the resulting data is both privacy-preserving and high utility. We present experimental evidence showing minimal discrepancy between performance metrics of models trained on real versus privatized datasets, when evaluated on held-out real data. We also compare our results with several privacy-preserving synthetic data generation models (such as differentially private generative adversarial networks), and report significant increases in classification performance metrics compared to state-of-the-art models. These favorable comparisons show that the presented framework is a promising direction of research, increasing the utility of low-risk synthetic data release for machine learning.
A hybrid machine learning framework for clad characteristics prediction in metal additive manufacturing
Authors: Sina Tayebati, Kyu Taek Cho
Date: 2023-07-04 00:00:00
Tasks: Hybrid Machine Learning

During the past decade, metal additive manufacturing (MAM) has experienced significant developments and gained much attention due to its ability to fabricate complex parts, manufacture products with functionally graded materials, minimize waste, and enable low-cost customization. Despite these advantages, predicting the impact of processing parameters on the characteristics of an MAM printed clad is challenging due to the complex nature of MAM processes. Machine learning (ML) techniques can help connect the physics underlying the process and processing parameters to the clad characteristics. In this study, we introduce a hybrid approach which involves utilizing the data provided by a calibrated multi-physics computational fluid dynamic (CFD) model and experimental research for preparing the essential big dataset, and then uses a comprehensive framework consisting of various ML models to predict and understand clad characteristics. We first compile an extensive dataset by fusing experimental data into the data generated using the developed CFD model for this study. This dataset comprises critical clad characteristics, including geometrical features such as width, height, and depth, labels identifying clad quality, and processing parameters. Second, we use two sets of processing parameters for training the ML models: machine setting parameters and physics-aware parameters, along with versatile ML models and reliable evaluation metrics to create a comprehensive and scalable learning framework for predicting clad geometry and quality. This framework can serve as a basis for clad characteristics control and process optimization. The framework resolves many challenges of conventional modeling methods in MAM by solving t the issue of data scarcity using a hybrid approach and introducing an efficient, accurate, and scalable platform for clad characteristics prediction and optimization.
Empirical Sample Complexity of Neural Network Mixed State Reconstruction
Authors: Haimeng Zhao, Giuseppe Carleo, Filippo Vicentini
Date: 2023-07-04 00:00:00

Quantum state reconstruction using Neural Quantum States has been proposed as a viable tool to reduce quantum shot complexity in practical applications, and its advantage over competing techniques has been shown in numerical experiments focusing mainly on the noiseless case. In this work, we numerically investigate the performance of different quantum state reconstruction techniques for mixed states: the finite-temperature Ising model. We show how to systematically reduce the quantum resource requirement of the algorithms by applying variance reduction techniques. Then, we compare the two leading neural quantum state encodings of the state, namely, the Neural Density Operator and the positive operator-valued measurement representation, and illustrate their different performance as the mixedness of the target state varies. We find that certain encodings are more efficient in different regimes of mixedness and point out the need for designing more efficient encodings in terms of both classical and quantum resources.
Structural Balance and Random Walks on Complex Networks with Complex Weights
Authors: Yu Tian, Renaud Lambiotte
Date: 2023-07-04 00:00:00

Complex numbers define the relationship between entities in many situations. A canonical example would be the off-diagonal terms in a Hamiltonian matrix in quantum physics. Recent years have seen an increasing interest to extend the tools of network science when the weight of edges are complex numbers. Here, we focus on the case when the weight matrix is Hermitian, a reasonable assumption in many applications, and investigate both structural and dynamical properties of the complex-weighted networks. Building on concepts from signed graphs, we introduce a classification of complex-weighted networks based on the notion of structural balance, and illustrate the shared spectral properties within each type. We then apply the results to characterise the dynamics of random walks on complex-weighted networks, where local consensus can be achieved asymptotically when the graph is structurally balanced, while global consensus will be obtained when it is strictly unbalanced. Finally, we explore potential applications of our findings by generalising the notion of cut, and propose an associated spectral clustering algorithm. We also provide further characteristics of the magnetic Laplacian, associating directed networks to complex-weighted ones. The performance of the algorithm is verified on both synthetic and real networks.
Capturing Local Temperature Evolution during Additive Manufacturing through Fourier Neural Operators
Authors: Jiangce Chen, Wenzhuo Xu, Martha Baldwin, Björn Nijhuis, Ton van den Boogaard, Noelia Grande Gutiérrez, Sneha Prabha Narra, Christopher McComb
Date: 2023-07-04 00:00:00

High-fidelity, data-driven models that can quickly simulate thermal behavior during additive manufacturing (AM) are crucial for improving the performance of AM technologies in multiple areas, such as part design, process planning, monitoring, and control. However, the complexities of part geometries make it challenging for current models to maintain high accuracy across a wide range of geometries. Additionally, many models report a low mean square error (MSE) across the entire domain (part). However, in each time step, most areas of the domain do not experience significant changes in temperature, except for the heat-affected zones near recent depositions. Therefore, the MSE-based fidelity measurement of the models may be overestimated. This paper presents a data-driven model that uses Fourier Neural Operator to capture the local temperature evolution during the additive manufacturing process. In addition, the authors propose to evaluate the model using the $R^2$ metric, which provides a relative measure of the model's performance compared to using mean temperature as a prediction. The model was tested on numerical simulations based on the Discontinuous Galerkin Finite Element Method for the Direct Energy Deposition process, and the results demonstrate that the model achieves high fidelity as measured by $R^2$ and maintains generalizability to geometries that were not included in the training process.
FedHIL: Heterogeneity Resilient Federated Learning for Robust Indoor Localization with Mobile Devices
Authors: Danish Gufran, Sudeep Pasricha
Date: 2023-07-04 00:00:00
Tasks: Federated Learning, Indoor Localization, Management

Indoor localization plays a vital role in applications such as emergency response, warehouse management, and augmented reality experiences. By deploying machine learning (ML) based indoor localization frameworks on their mobile devices, users can localize themselves in a variety of indoor and subterranean environments. However, achieving accurate indoor localization can be challenging due to heterogeneity in the hardware and software stacks of mobile devices, which can result in inconsistent and inaccurate location estimates. Traditional ML models also heavily rely on initial training data, making them vulnerable to degradation in performance with dynamic changes across indoor environments. To address the challenges due to device heterogeneity and lack of adaptivity, we propose a novel embedded ML framework called FedHIL. Our framework combines indoor localization and federated learning (FL) to improve indoor localization accuracy in device-heterogeneous environments while also preserving user data privacy. FedHIL integrates a domain-specific selective weight adjustment approach to preserve the ML model's performance for indoor localization during FL, even in the presence of extremely noisy data. Experimental evaluations in diverse real-world indoor environments and with heterogeneous mobile devices show that FedHIL outperforms state-of-the-art FL and non-FL indoor localization frameworks. FedHIL is able to achieve 1.62x better localization accuracy on average than the best performing FL-based indoor localization framework from prior work.