pwc-archive/papers-with-abstracts huggingface dataset:
Physics-Informed Boundary Integral Networks (PIBI-Nets): A Data-Driven Approach for Solving Partial Differential Equations
Authors: Monika Nagy-Huber, Volker Roth
Date: 2023-08-18 00:00:00

Partial differential equations (PDEs) are widely used to describe relevant phenomena in dynamical systems. In real-world applications, we commonly need to combine formal PDE models with (potentially noisy) observations. This is especially relevant in settings where we lack information about boundary or initial conditions, or where we need to identify unknown model parameters. In recent years, Physics-Informed Neural Networks (PINNs) have become a popular tool for this kind of problems. In high-dimensional settings, however, PINNs often suffer from computational problems because they usually require dense collocation points over the entire computational domain. To address this problem, we present Physics-Informed Boundary Integral Networks (PIBI-Nets) as a data-driven approach for solving PDEs in one dimension less than the original problem space. PIBI-Nets only require points at the computational domain boundary, while still achieving highly accurate results. Moreover, PIBI-Nets clearly outperform PINNs in several practical settings. Exploiting elementary properties of fundamental solutions of linear differential operators, we present a principled and simple way to handle point sources in inverse problems. We demonstrate the excellent performance of PIBI- Nets for the Laplace and Poisson equations, both on artificial datasets and within a real-world application concerning the reconstruction of groundwater flows.
Understanding the Role of Layer Normalization in Label-Skewed Federated Learning
Authors: Guojun Zhang, Mahdi Beitollahi, Alex Bie, Xi Chen
Date: 2023-08-18 00:00:00
Tasks: Federated Learning

Layer normalization (LN) is a widely adopted deep learning technique especially in the era of foundation models. Recently, LN has been shown to be surprisingly effective in federated learning (FL) with non-i.i.d. data. However, exactly why and how it works remains mysterious. In this work, we reveal the profound connection between layer normalization and the label shift problem in federated learning. To understand layer normalization better in FL, we identify the key contributing mechanism of normalization methods in FL, called feature normalization (FN), which applies normalization to the latent feature representation before the classifier head. Although LN and FN do not improve expressive power, they control feature collapse and local overfitting to heavily skewed datasets, and thus accelerates global training. Empirically, we show that normalization leads to drastic improvements on standard benchmarks under extreme label shift. Moreover, we conduct extensive ablation studies to understand the critical factors of layer normalization in FL. Our results verify that FN is an essential ingredient inside LN to significantly improve the convergence of FL while remaining robust to learning rate choices, especially under extreme label shift where each client has access to few classes. Our code is available at \url{https://github.com/huawei-noah/Federated-Learning/tree/main/Layer_Normalization}.
Attesting Distributional Properties of Training Data for Machine Learning
Authors: Vasisht Duddu, Anudeep Das, Nora Khayata, Hossein Yalame, Thomas Schneider, N. Asokan
Date: 2023-08-18 00:00:00
Tasks: Diversity

The success of machine learning (ML) has been accompanied by increased concerns about its trustworthiness. Several jurisdictions are preparing ML regulatory frameworks. One such concern is ensuring that model training data has desirable distributional properties for certain sensitive attributes. For example, draft regulations indicate that model trainers are required to show that training datasets have specific distributional properties, such as reflecting diversity of the population. We propose the notion of property attestation allowing a prover (e.g., model trainer) to demonstrate relevant distributional properties of training data to a verifier (e.g., a customer) without revealing the data. We present an effective hybrid property attestation combining property inference with cryptographic mechanisms.
Latent State Models of Training Dynamics
Authors: Michael Y. Hu, Angelica Chen, Naomi Saphra, Kyunghyun Cho
Date: 2023-08-18 00:00:00
Tasks: image-classification, Image Classification, Language Modeling, Language Modelling, Masked Language Modeling

The impact of randomness on model training is poorly understood. How do differences in data order and initialization actually manifest in the model, such that some training runs outperform others or converge faster? Furthermore, how can we interpret the resulting training dynamics and the phase transitions that characterize different trajectories? To understand the effect of randomness on the dynamics and outcomes of neural network training, we train models multiple times with different random seeds and compute a variety of metrics throughout training, such as the $L_2$ norm, mean, and variance of the neural network's weights. We then fit a hidden Markov model (HMM) over the resulting sequences of metrics. The HMM represents training as a stochastic process of transitions between latent states, providing an intuitive overview of significant changes during training. Using our method, we produce a low-dimensional, discrete representation of training dynamics on grokking tasks, image classification, and masked language modeling. We use the HMM representation to study phase transitions and identify latent "detour" states that slow down convergence.
Privacy-Preserving 3-Layer Neural Network Training
Authors: John Chiang
Date: 2023-08-18 00:00:00
Tasks: Privacy Preserving, regression

In this manuscript, we consider the problem of privacy-preserving training of neural networks in the mere homomorphic encryption setting. We combine several exsiting techniques available, extend some of them, and finally enable the training of 3-layer neural networks for both the regression and classification problems using mere homomorphic encryption technique.
Transitivity-Preserving Graph Representation Learning for Bridging Local Connectivity and Role-based Similarity
Authors: Van Thuy Hoang, O-Joun Lee
Date: 2023-08-18 00:00:00
Tasks: Graph Classification, Graph Representation Learning, Isomorphism Testing, Link Prediction, Node Classification, Node Clustering, Representation Learning, Self-Supervised Learning

Graph representation learning (GRL) methods, such as graph neural networks and graph transformer models, have been successfully used to analyze graph-structured data, mainly focusing on node classification and link prediction tasks. However, the existing studies mostly only consider local connectivity while ignoring long-range connectivity and the roles of nodes. In this paper, we propose Unified Graph Transformer Networks (UGT) that effectively integrate local and global structural information into fixed-length vector representations. First, UGT learns local structure by identifying the local substructures and aggregating features of the $k$-hop neighborhoods of each node. Second, we construct virtual edges, bridging distant nodes with structural similarity to capture the long-range dependencies. Third, UGT learns unified representations through self-attention, encoding structural distance and $p$-step transition probability between node pairs. Furthermore, we propose a self-supervised learning task that effectively learns transition probability to fuse local and global structural features, which could then be transferred to other downstream tasks. Experimental results on real-world benchmark datasets over various downstream tasks showed that UGT significantly outperformed baselines that consist of state-of-the-art models. In addition, UGT reaches the expressive power of the third-order Weisfeiler-Lehman isomorphism test (3d-WL) in distinguishing non-isomorphic graph pairs. The source code is available at https://github.com/NSLab-CUK/Unified-Graph-Transformer.
Bridged-GNN: Knowledge Bridge Learning for Effective Knowledge Transfer
Authors: Wendong Bi, Xueqi Cheng, Bingbing Xu, Xiaoqian Sun, Li Xu, HuaWei Shen
Date: 2023-08-18 00:00:00
Tasks: GRAPH DOMAIN ADAPTATION, Retrieval, Transfer Learning

The data-hungry problem, characterized by insufficiency and low-quality of data, poses obstacles for deep learning models. Transfer learning has been a feasible way to transfer knowledge from high-quality external data of source domains to limited data of target domains, which follows a domain-level knowledge transfer to learn a shared posterior distribution. However, they are usually built on strong assumptions, e.g., the domain invariant posterior distribution, which is usually unsatisfied and may introduce noises, resulting in poor generalization ability on target domains. Inspired by Graph Neural Networks (GNNs) that aggregate information from neighboring nodes, we redefine the paradigm as learning a knowledge-enhanced posterior distribution for target domains, namely Knowledge Bridge Learning (KBL). KBL first learns the scope of knowledge transfer by constructing a Bridged-Graph that connects knowledgeable samples to each target sample and then performs sample-wise knowledge transfer via GNNs.KBL is free from strong assumptions and is robust to noises in the source data. Guided by KBL, we propose the Bridged-GNN} including an Adaptive Knowledge Retrieval module to build Bridged-Graph and a Graph Knowledge Transfer module. Comprehensive experiments on both un-relational and relational data-hungry scenarios demonstrate the significant improvements of Bridged-GNN compared with SOTA methods
Reconstructing $S$-matrix Phases with Machine Learning
Authors: Aurélien Dersy, Matthew D. Schwartz, Alexander Zhiboedov
Date: 2023-08-18 00:00:00

An important element of the $S$-matrix bootstrap program is the relationship between the modulus of an $S$-matrix element and its phase. Unitarity relates them by an integral equation. Even in the simplest case of elastic scattering, this integral equation cannot be solved analytically and numerical approaches are required. We apply modern machine learning techniques to studying the unitarity constraint. We find that for a given modulus, when a phase exists it can generally be reconstructed to good accuracy with machine learning. Moreover, the loss of the reconstruction algorithm provides a good proxy for whether a given modulus can be consistent with unitarity at all. In addition, we study the question of whether multiple phases can be consistent with a single modulus, finding novel phase-ambiguous solutions. In particular, we find a new phase-ambiguous solution which pushes the known limit on such solutions significantly beyond the previous bound.
Defending Label Inference Attacks in Split Learning under Regression Setting
Authors: Haoze Qiu, Fei Zheng, Chaochao Chen, Xiaolin Zheng
Date: 2023-08-18 00:00:00
Tasks: Federated Learning, Privacy Preserving, regression, Vertical Federated Learning

As a privacy-preserving method for implementing Vertical Federated Learning, Split Learning has been extensively researched. However, numerous studies have indicated that the privacy-preserving capability of Split Learning is insufficient. In this paper, we primarily focus on label inference attacks in Split Learning under regression setting, which are mainly implemented through the gradient inversion method. To defend against label inference attacks, we propose Random Label Extension (RLE), where labels are extended to obfuscate the label information contained in the gradients, thereby preventing the attacker from utilizing gradients to train an attack model that can infer the original labels. To further minimize the impact on the original task, we propose Model-based adaptive Label Extension (MLE), where original labels are preserved in the extended labels and dominate the training process. The experimental results show that compared to the basic defense methods, our proposed defense methods can significantly reduce the attack model's performance while preserving the original task's performance.
An Efficient 1 Iteration Learning Algorithm for Gaussian Mixture Model And Gaussian Mixture Embedding For Neural Network
Authors: Weiguo Lu, Xuan Wu, Deng Ding, Gangnan Yuan
Date: 2023-08-18 00:00:00

We propose an Gaussian Mixture Model (GMM) learning algorithm, based on our previous work of GMM expansion idea. The new algorithm brings more robustness and simplicity than classic Expectation Maximization (EM) algorithm. It also improves the accuracy and only take 1 iteration for learning. We theoretically proof that this new algorithm is guarantee to converge regardless the parameters initialisation. We compare our GMM expansion method with classic probability layers in neural network leads to demonstrably better capability to overcome data uncertainty and inverse problem. Finally, we test GMM based generator which shows a potential to build further application that able to utilized distribution random sampling for stochastic variation as well as variation control.
End-to-end topographic networks as models of cortical map formation and human visual behaviour: moving beyond convolutions
Authors: Zejin Lu, Adrien Doerig, Victoria Bosch, Bas Krahmer, Daniel Kaiser, Radoslaw M Cichy, Tim C Kietzmann
Date: 2023-08-18 00:00:00
Tasks: All, Object Recognition

Computational models are an essential tool for understanding the origin and functions of the topographic organisation of the primate visual system. Yet, vision is most commonly modelled by convolutional neural networks that ignore topography by learning identical features across space. Here, we overcome this limitation by developing All-Topographic Neural Networks (All-TNNs). Trained on visual input, several features of primate topography emerge in All-TNNs: smooth orientation maps and cortical magnification in their first layer, and category-selective areas in their final layer. In addition, we introduce a novel dataset of human spatial biases in object recognition, which enables us to directly link models to behaviour. We demonstrate that All-TNNs significantly better align with human behaviour than previous state-of-the-art convolutional models due to their topographic nature. All-TNNs thereby mark an important step forward in understanding the spatial organisation of the visual brain and how it mediates visual behaviour.
Towards Understanding the Generalizability of Delayed Stochastic Gradient Descent
Authors: Xiaoge Deng, Li Shen, Shengwei Li, Tao Sun, Dongsheng Li, DaCheng Tao
Date: 2023-08-18 00:00:00

Stochastic gradient descent (SGD) performed in an asynchronous manner plays a crucial role in training large-scale machine learning models. However, the generalization performance of asynchronous delayed SGD, which is an essential metric for assessing machine learning algorithms, has rarely been explored. Existing generalization error bounds are rather pessimistic and cannot reveal the correlation between asynchronous delays and generalization. In this paper, we investigate sharper generalization error bound for SGD with asynchronous delay $\tau$. Leveraging the generating function analysis tool, we first establish the average stability of the delayed gradient algorithm. Based on this algorithmic stability, we provide upper bounds on the generalization error of $\tilde{\mathcal{O}}(\frac{T-\tau}{n\tau})$ and $\tilde{\mathcal{O}}(\frac{1}{n})$ for quadratic convex and strongly convex problems, respectively, where $T$ refers to the iteration number and $n$ is the amount of training data. Our theoretical results indicate that asynchronous delays reduce the generalization error of the delayed SGD algorithm. Analogous analysis can be generalized to the random delay setting, and the experimental results validate our theoretical findings.
Machine-Learning Solutions for the Analysis of Single-Particle Diffusion Trajectories
Authors: Henrik Seckler, Janusz Szwabinski, Ralf Metzler
Date: 2023-08-18 00:00:00
Tasks: Time Series

Single-particle traces of the diffusive motion of molecules, cells, or animals are by-now routinely measured, similar to stochastic records of stock prices or weather data. Deciphering the stochastic mechanism behind the recorded dynamics is vital in understanding the observed systems. Typically, the task is to decipher the exact type of diffusion and/or to determine system parameters. The tools used in this endeavor are currently revolutionized by modern machine-learning techniques. In this Perspective we provide an overview over recently introduced methods in machine-learning for diffusive time series, most notably, those successfully competing in the Anomalous-Diffusion-Challenge. As such methods are often criticized for their lack of interpretability, we focus on means to include uncertainty estimates and feature-based approaches, both improving interpretability and providing concrete insight into the learning process of the machine. We expand the discussion by examining predictions on different out-of-distribution data. We also comment on expected future developments.
Learning MDL logic programs from noisy data
Authors: Céline Hocquette, Andreas Niskanen, Matti Järvisalo, Andrew Cropper
Date: 2023-08-18 00:00:00
Tasks: Drug Design, Inductive logic programming, Program Synthesis

Many inductive logic programming approaches struggle to learn programs from noisy data. To overcome this limitation, we introduce an approach that learns minimal description length programs from noisy data, including recursive programs. Our experiments on several domains, including drug design, game playing, and program synthesis, show that our approach can outperform existing approaches in terms of predictive accuracies and scale to moderate amounts of noise.
On Gradient-like Explanation under a Black-box Setting: When Black-box Explanations Become as Good as White-box
Authors: Yi Cai, Gerhard Wunder
Date: 2023-08-18 00:00:00

Attribution methods shed light on the explainability of data-driven approaches such as deep learning models by uncovering the most influential features in a to-be-explained decision. While determining feature attributions via gradients delivers promising results, the internal access required for acquiring gradients can be impractical under safety concerns, thus limiting the applicability of gradient-based approaches. In response to such limited flexibility, this paper presents \methodAbr~(gradient-estimation-based explanation), an approach that produces gradient-like explanations through only query-level access. The proposed approach holds a set of fundamental properties for attribution methods, which are mathematically rigorously proved, ensuring the quality of its explanations. In addition to the theoretical analysis, with a focus on image data, the experimental results empirically demonstrate the superiority of the proposed method over state-of-the-art black-box methods and its competitive performance compared to methods with full access.
Noise Sensitivity and Stability of Deep Neural Networks for Binary Classification
Authors: Johan Jonasson, Jeffrey E. Steif, Olof Zetterqvist
Date: 2023-08-18 00:00:00
Tasks: Binary Classification, Sensitivity

A first step is taken towards understanding often observed non-robustness phenomena of deep neural net (DNN) classifiers. This is done from the perspective of Boolean functions by asking if certain sequences of Boolean functions represented by common DNN models are noise sensitive or noise stable, concepts defined in the Boolean function literature. Due to the natural randomness in DNN models, these concepts are extended to annealed and quenched versions. Here we sort out the relation between these definitions and investigate the properties of two standard DNN architectures, the fully connected and convolutional models, when initiated with Gaussian weights.
On the Approximation of Bi-Lipschitz Maps by Invertible Neural Networks
Authors: Bangti Jin, Zehui Zhou, Jun Zou
Date: 2023-08-18 00:00:00

Invertible neural networks (INNs) represent an important class of deep neural network architectures that have been widely used in several applications. The universal approximation properties of INNs have also been established recently. However, the approximation rate of INNs is largely missing. In this work, we provide an analysis of the capacity of a class of coupling-based INNs to approximate bi-Lipschitz continuous mappings on a compact domain, and the result shows that it can well approximate both forward and inverse maps simultaneously. Furthermore, we develop an approach for approximating bi-Lipschitz maps on infinite-dimensional spaces that simultaneously approximate the forward and inverse maps, by combining model reduction with principal component analysis and INNs for approximating the reduced map, and we analyze the overall approximation error of the approach. Preliminary numerical results show the feasibility of the approach for approximating the solution operator for parameterized second-order elliptic problems.
Multi-feature concatenation and multi-classifier stacking: an interpretable and generalizable machine learning method for MDD discrimination with rsfMRI
Authors: YunSong Luo, Wenyu Chen, Ling Zhan, Jiang Qiu, Tao Jia
Date: 2023-08-18 00:00:00
Tasks: Diagnostic

Major depressive disorder is a serious and heterogeneous psychiatric disorder that needs accurate diagnosis. Resting-state functional MRI (rsfMRI), which captures multiple perspectives on brain structure, function, and connectivity, is increasingly applied in the diagnosis and pathological research of mental diseases. Different machine learning algorithms are then developed to exploit the rich information in rsfMRI and discriminate MDD patients from normal controls. Despite recent advances reported, the discrimination accuracy has room for further improvement. The generalizability and interpretability of the method are not sufficiently addressed either. Here, we propose a machine learning method (MFMC) for MDD discrimination by concatenating multiple features and stacking multiple classifiers. MFMC is tested on the REST-meta-MDD data set that contains 2428 subjects collected from 25 different sites. MFMC yields 96.9% MDD discrimination accuracy, demonstrating a significant improvement over existing methods. In addition, the generalizability of MFMC is validated by the good performance when the training and testing subjects are from independent sites. The use of XGBoost as the meta classifier allows us to probe the decision process of MFMC. We identify 13 feature values related to 9 brain regions including the posterior cingulate gyrus, superior frontal gyrus orbital part, and angular gyrus, which contribute most to the classification and also demonstrate significant differences at the group level. The use of these 13 feature values alone can reach 87% of MFMC's full performance when taking all feature values. These features may serve as clinically useful diagnostic and prognostic biomarkers for mental disorders in the future.
Document Automation Architectures: Updated Survey in Light of Large Language Models
Authors: Mohammad Ahmadi Achachlouei, Omkar Patil, Tarun Joshi, Vijayan N. Nair
Date: 2023-08-18 00:00:00

This paper surveys the current state of the art in document automation (DA). The objective of DA is to reduce the manual effort during the generation of documents by automatically creating and integrating input from different sources and assembling documents conforming to defined templates. There have been reviews of commercial solutions of DA, particularly in the legal domain, but to date there has been no comprehensive review of the academic research on DA architectures and technologies. The current survey of DA reviews the academic literature and provides a clearer definition and characterization of DA and its features, identifies state-of-the-art DA architectures and technologies in academic research, and provides ideas that can lead to new research opportunities within the DA field in light of recent advances in generative AI and large language models.