pwc-archive/papers-with-abstracts huggingface dataset:
Unsupervised Domain Transfer with Conditional Invertible Neural Networks
Authors: Kris K. Dreher, Leonardo Ayala, Melanie Schellenberg, Marco Hübner, Jan-Hinrich Nölke, Tim J. Adler, Silvia Seidlitz, Jan Sellner, Alexander Studier-Fischer, Janek Gröhl, Felix Nickel, Ullrich Köthe, Alexander Seitel, Lena Maier-Hein
Date: 2023-03-17 00:00:00
Tasks: Image Generation, Medical Image Generation, Synthetic Data Generation

Synthetic medical image generation has evolved as a key technique for neural network training and validation. A core challenge, however, remains in the domain gap between simulations and real data. While deep learning-based domain transfer using Cycle Generative Adversarial Networks and similar architectures has led to substantial progress in the field, there are use cases in which state-of-the-art approaches still fail to generate training images that produce convincing results on relevant downstream tasks. Here, we address this issue with a domain transfer approach based on conditional invertible neural networks (cINNs). As a particular advantage, our method inherently guarantees cycle consistency through its invertible architecture, and network training can efficiently be conducted with maximum likelihood training. To showcase our method's generic applicability, we apply it to two spectral imaging modalities at different scales, namely hyperspectral imaging (pixel-level) and photoacoustic tomography (image-level). According to comprehensive experiments, our method enables the generation of realistic spectral data and outperforms the state of the art on two downstream classification tasks (binary and multi-class). cINN-based domain transfer could thus evolve as an important method for realistic synthetic data generation in the field of spectral imaging and beyond.
Tangent Bundle Convolutional Learning: from Manifolds to Cellular Sheaves and Back
Authors: Claudio Battiloro, Zhiyang Wang, Hans Riess, Paolo Di Lorenzo, Alejandro Ribeiro
Date: 2023-03-20 00:00:00

In this work we introduce a convolution operation over the tangent bundle of Riemann manifolds in terms of exponentials of the Connection Laplacian operator. We define tangent bundle filters and tangent bundle neural networks (TNNs) based on this convolution operation, which are novel continuous architectures operating on tangent bundle signals, i.e. vector fields over the manifolds. Tangent bundle filters admit a spectral representation that generalizes the ones of scalar manifold filters, graph filters and standard convolutional filters in continuous time. We then introduce a discretization procedure, both in the space and time domains, to make TNNs implementable, showing that their discrete counterpart is a novel principled variant of the very recently introduced sheaf neural networks. We formally prove that this discretized architecture converges to the underlying continuous TNN. Finally, we numerically evaluate the effectiveness of the proposed architecture on various learning tasks, both on synthetic and real data.
Rethinking SO(3)-equivariance with Bilinear Tensor Networks
Authors: Chase Shimmin, Zhelun Li, Ema Smith
Date: 2023-03-20 00:00:00
Tasks: Tensor Networks

Many datasets in scientific and engineering applications are comprised of objects which have specific geometric structure. A common example is data which inhabits a representation of the group SO$(3)$ of 3D rotations: scalars, vectors, tensors, \textit{etc}. One way for a neural network to exploit prior knowledge of this structure is to enforce SO$(3)$-equivariance throughout its layers, and several such architectures have been proposed. While general methods for handling arbitrary SO$(3)$ representations exist, they computationally intensive and complicated to implement. We show that by judicious symmetry breaking, we can efficiently increase the expressiveness of a network operating only on vector and order-2 tensor representations of SO$(2)$. We demonstrate the method on an important problem from High Energy Physics known as \textit{b-tagging}, where particle jets originating from b-meson decays must be discriminated from an overwhelming QCD background. In this task, we find that augmenting a standard architecture with our method results in a \ensuremath{2.3\times} improvement in rejection score.
Model Stitching: Looking For Functional Similarity Between Representations
Authors: Adriano Hernandez, Rumen Dangovski, Peter Y. Lu, Marin Soljacic
Date: 2023-03-20 00:00:00

Model stitching (Lenc & Vedaldi 2015) is a compelling methodology to compare different neural network representations, because it allows us to measure to what degree they may be interchanged. We expand on a previous work from Bansal, Nakkiran & Barak which used model stitching to compare representations of the same shapes learned by differently seeded and/or trained neural networks of the same architecture. Our contribution enables us to compare the representations learned by layers with different shapes from neural networks with different architectures. We subsequently reveal unexpected behavior of model stitching. Namely, we find that stitching, based on convolutions, for small ResNets, can reach high accuracy if those layers come later in the first (sender) network than in the second (receiver), even if those layers are far apart.
Convergence Guarantees of Overparametrized Wide Deep Inverse Prior
Authors: Nathan Buskulic, Yvain Quéau, Jalal Fadili
Date: 2023-03-20 00:00:00

Neural networks have become a prominent approach to solve inverse problems in recent years. Amongst the different existing methods, the Deep Image/Inverse Priors (DIPs) technique is an unsupervised approach that optimizes a highly overparametrized neural network to transform a random input into an object whose image under the forward model matches the observation. However, the level of overparametrization necessary for such methods remains an open problem. In this work, we aim to investigate this question for a two-layers neural network with a smooth activation function. We provide overparametrization bounds under which such network trained via continuous-time gradient descent will converge exponentially fast with high probability which allows to derive recovery prediction bounds. This work is thus a first step towards a theoretical understanding of overparametrized DIP networks, and more broadly it participates to the theoretical understanding of neural networks in inverse problem settings.
Unit Scaling: Out-of-the-Box Low-Precision Training
Authors: Charlie Blake, Douglas Orr, Carlo Luschi
Date: 2023-03-20 00:00:00

We present unit scaling, a paradigm for designing deep learning models that simplifies the use of low-precision number formats. Training in FP16 or the recently proposed FP8 formats offers substantial efficiency gains, but can lack sufficient range for out-of-the-box training. Unit scaling addresses this by introducing a principled approach to model numerics: seeking unit variance of all weights, activations and gradients at initialisation. Unlike alternative methods, this approach neither requires multiple training runs to find a suitable scale nor has significant computational overhead. We demonstrate the efficacy of unit scaling across a range of models and optimisers. We further show that existing models can be adapted to be unit-scaled, training BERT-Large in FP16 and then FP8 with no degradation in accuracy.
Memorization Capacity of Neural Networks with Conditional Computation
Authors: Erdem Koyuncu
Date: 2023-03-20 00:00:00
Tasks: Memorization

Many empirical studies have demonstrated the performance benefits of conditional computation in neural networks, including reduced inference time and power consumption. We study the fundamental limits of neural conditional computation from the perspective of memorization capacity. For Rectified Linear Unit (ReLU) networks without conditional computation, it is known that memorizing a collection of $n$ input-output relationships can be accomplished via a neural network with $O(\sqrt{n})$ neurons. Calculating the output of this neural network can be accomplished using $O(\sqrt{n})$ elementary arithmetic operations of additions, multiplications and comparisons for each input. Using a conditional ReLU network, we show that the same task can be accomplished using only $O(\log n)$ operations per input. This represents an almost exponential improvement as compared to networks without conditional computation. We also show that the $\Theta(\log n)$ rate is the best possible. Our achievability result utilizes a general methodology to synthesize a conditional network out of an unconditional network in a computationally-efficient manner, bridging the gap between unconditional and conditional architectures.
Investigating Topological Order using Recurrent Neural Networks
Authors: Mohamed Hibat-Allah, Roger G. Melko, Juan Carrasquilla
Date: 2023-03-20 00:00:00

Recurrent neural networks (RNNs), originally developed for natural language processing, hold great promise for accurately describing strongly correlated quantum many-body systems. Here, we employ 2D RNNs to investigate two prototypical quantum many-body Hamiltonians exhibiting topological order. Specifically, we demonstrate that RNN wave functions can effectively capture the topological order of the toric code and a Bose-Hubbard spin liquid on the kagome lattice by estimating their topological entanglement entropies. We also find that RNNs favor coherent superpositions of minimally-entangled states over minimally-entangled states themselves. Overall, our findings demonstrate that RNN wave functions constitute a powerful tool to study phases of matter beyond Landau's symmetry-breaking paradigm.
A Survey of Demonstration Learning
Authors: André Correia, Luís A. Alexandre
Date: 2023-03-20 00:00:00
Tasks: Reinforcement Learning (RL), Survey

With the fast improvement of machine learning, reinforcement learning (RL) has been used to automate human tasks in different areas. However, training such agents is difficult and restricted to expert users. Moreover, it is mostly limited to simulation environments due to the high cost and safety concerns of interactions in the real world. Demonstration Learning is a paradigm in which an agent learns to perform a task by imitating the behavior of an expert shown in demonstrations. It is a relatively recent area in machine learning, but it is gaining significant traction due to having tremendous potential for learning complex behaviors from demonstrations. Learning from demonstration accelerates the learning process by improving sample efficiency, while also reducing the effort of the programmer. Due to learning without interacting with the environment, demonstration learning would allow the automation of a wide range of real world applications such as robotics and healthcare. This paper provides a survey of demonstration learning, where we formally introduce the demonstration problem along with its main challenges and provide a comprehensive overview of the process of learning from demonstrations from the creation of the demonstration data set, to learning methods from demonstrations, and optimization by combining demonstration learning with different machine learning methods. We also review the existing benchmarks and identify their strengths and limitations. Additionally, we discuss the advantages and disadvantages of the paradigm as well as its main applications. Lastly, we discuss our perspective on open problems and research directions for this rapidly growing field.
Adversarial Attacks against Binary Similarity Systems
Authors: Gianluca Capozzi, Daniele Cono D'Elia, Giuseppe Antonio Di Luna, Leonardo Querzoni
Date: 2023-03-20 00:00:00

In recent years, binary analysis gained traction as a fundamental approach to inspect software and guarantee its security. Due to the exponential increase of devices running software, much research is now moving towards new autonomous solutions based on deep learning models, as they have been showing state-of-the-art performances in solving binary analysis problems. One of the hot topics in this context is binary similarity, which consists in determining if two functions in assembly code are compiled from the same source code. However, it is unclear how deep learning models for binary similarity behave in an adversarial context. In this paper, we study the resilience of binary similarity models against adversarial examples, showing that they are susceptible to both targeted and untargeted attacks (w.r.t. similarity goals) performed by black-box and white-box attackers. In more detail, we extensively test three current state-of-the-art solutions for binary similarity against two black-box greedy attacks, including a new technique that we call Spatial Greedy, and one white-box attack in which we repurpose a gradient-guided strategy used in attacks to image classifiers.
Fault Detection via Occupation Kernel Principal Component Analysis
Authors: Zachary Morrison, Benjamin P. Russo, Yingzhao Lian, Rushikesh Kamalapurkar
Date: 2023-03-20 00:00:00
Tasks: Fault Detection

The reliable operation of automatic systems is heavily dependent on the ability to detect faults in the underlying dynamical system. While traditional model-based methods have been widely used for fault detection, data-driven approaches have garnered increasing attention due to their ease of deployment and minimal need for expert knowledge. In this paper, we present a novel principal component analysis (PCA) method that uses occupation kernels. Occupation kernels result in feature maps that are tailored to the measured data, have inherent noise-robustness due to the use of integration, and can utilize irregularly sampled system trajectories of variable lengths for PCA. The occupation kernel PCA method is used to develop a reconstruction error approach to fault detection and its efficacy is validated using numerical simulations.
Cocktail HuBERT: Generalized Self-Supervised Pre-training for Mixture and Single-Source Speech
Authors: Maryam Fazel-Zarandi, Wei-Ning Hsu
Date: 2023-03-20 00:00:00
Tasks: Self-Supervised Learning

Self-supervised learning leverages unlabeled data effectively, improving label efficiency and generalization to domains without labeled data. While recent work has studied generalization to more acoustic/linguistic domains, languages, and modalities, these investigations are limited to single-source speech with one primary speaker in the recording. This paper presents Cocktail HuBERT, a self-supervised learning framework that generalizes to mixture speech using a masked pseudo source separation objective. This objective encourages the model to identify the number of sources, separate and understand the context, and infer the content of masked regions represented as discovered units. Cocktail HuBERT outperforms state-of-the-art results with 69% lower WER on multi-speaker ASR, 31% lower DER on diarization, and is competitive on single- and multi-speaker tasks from SUPERB.
Differentially Private Algorithms for Synthetic Power System Datasets
Authors: Vladimir Dvorkin, Audun Botterud
Date: 2023-03-20 00:00:00
Tasks: Privacy Preserving

While power systems research relies on the availability of real-world network datasets, data owners (e.g., system operators) are hesitant to share data due to security and privacy risks. To control these risks, we develop privacy-preserving algorithms for the synthetic generation of optimization and machine learning datasets. Taking a real-world dataset as input, the algorithms output its noisy, synthetic version, which preserves the accuracy of the real data on a specific downstream model or even a large population of those. We control the privacy loss using Laplace and Exponential mechanisms of differential privacy and preserve data accuracy using a post-processing convex optimization. We apply the algorithms to generate synthetic network parameters and wind power data.
Quantile and moment neural networks for learning functionals of distributions
Authors: Xavier Warin
Date: 2023-03-20 00:00:00

We study news neural networks to approximate function of distributions in a probability space. Two classes of neural networks based on quantile and moment approximation are proposed to learn these functions and are theoretically supported by universal approximation theorems. By mixing the quantile and moment features in other new networks, we develop schemes that outperform existing networks on numerical test cases involving univariate distributions. For bivariate distributions, the moment neural network outperforms all other networks.
Late Meta-learning Fusion Using Representation Learning for Time Series Forecasting
Authors: Terence L. Van Zyl
Date: 2023-03-20 00:00:00
Tasks: Meta-Learning, Representation Learning, Time Series, Time Series Forecasting

Meta-learning, decision fusion, hybrid models, and representation learning are topics of investigation with significant traction in time-series forecasting research. Of these two specific areas have shown state-of-the-art results in forecasting: hybrid meta-learning models such as Exponential Smoothing - Recurrent Neural Network (ES-RNN) and Neural Basis Expansion Analysis (N-BEATS) and feature-based stacking ensembles such as Feature-based FORecast Model Averaging (FFORMA). However, a unified taxonomy for model fusion and an empirical comparison of these hybrid and feature-based stacking ensemble approaches is still missing. This study presents a unified taxonomy encompassing these topic areas. Furthermore, the study empirically evaluates several model fusion approaches and a novel combination of hybrid and feature stacking algorithms called Deep-learning FORecast Model Averaging (DeFORMA). The taxonomy contextualises the considered methods. Furthermore, the empirical analysis of the results shows that the proposed model, DeFORMA, can achieve state-of-the-art results in the M4 data set. DeFORMA, increases the mean Overall Weighted Average (OWA) in the daily, weekly and yearly subsets with competitive results in the hourly, monthly and quarterly subsets. The taxonomy and empirical results lead us to argue that significant progress is still to be made by continuing to explore the intersection of these research areas.
A Survey on Oversmoothing in Graph Neural Networks
Authors: T. Konstantin Rusch, Michael M. Bronstein, Siddhartha Mishra
Date: 2023-03-20 00:00:00
Tasks: Graph Learning, Survey

Node features of graph neural networks (GNNs) tend to become more similar with the increase of the network depth. This effect is known as over-smoothing, which we axiomatically define as the exponential convergence of suitable similarity measures on the node features. Our definition unifies previous approaches and gives rise to new quantitative measures of over-smoothing. Moreover, we empirically demonstrate this behavior for several over-smoothing measures on different graphs (small-, medium-, and large-scale). We also review several approaches for mitigating over-smoothing and empirically test their effectiveness on real-world graph datasets. Through illustrative examples, we demonstrate that mitigating over-smoothing is a necessary but not sufficient condition for building deep GNNs that are expressive on a wide range of graph learning tasks. Finally, we extend our definition of over-smoothing to the rapidly emerging field of continuous-time GNNs.
Uncertainty-aware deep learning for digital twin-driven monitoring: Application to fault detection in power lines
Authors: Laya Das, Blazhe Gjorgiev, Giovanni Sansavini
Date: 2023-03-20 00:00:00
Tasks: Fault Detection

Deep neural networks (DNNs) are often coupled with physics-based models or data-driven surrogate models to perform fault detection and health monitoring of systems in the low data regime. These models serve as digital twins to generate large quantities of data to train DNNs which would otherwise be difficult to obtain from the real-life system. However, such models can exhibit parametric uncertainty that propagates to the generated data. In addition, DNNs exhibit uncertainty in the parameters learnt during training. In such a scenario, the performance of the DNN model will be influenced by the uncertainty in the physics-based model as well as the parameters of the DNN. In this article, we quantify the impact of both these sources of uncertainty on the performance of the DNN. We perform explicit propagation of uncertainty in input data through all layers of the DNN, as well as implicit prediction of output uncertainty to capture the former. Furthermore, we adopt Monte Carlo dropout to capture uncertainty in DNN parameters. We demonstrate the approach for fault detection of power lines with a physics-based model, two types of input data and three different neural network architectures. We compare the performance of such uncertainty-aware probabilistic models with their deterministic counterparts. The results show that the probabilistic models provide important information regarding the confidence of predictions, while also delivering an improvement in performance over deterministic models.
EMC2-Net: Joint Equalization and Modulation Classification based on Constellation Network
Authors: Hyun Ryu, Junil Choi
Date: 2023-03-20 00:00:00
Tasks: Intelligent Communication

Modulation classification (MC) is the first step performed at the receiver side unless the modulation type is explicitly indicated by the transmitter. Machine learning techniques have been widely used for MC recently. In this paper, we propose a novel MC technique dubbed as Joint Equalization and Modulation Classification based on Constellation Network (EMC2-Net). Unlike prior works that considered the constellation points as an image, the proposed EMC2-Net directly uses a set of 2D constellation points to perform MC. In order to obtain clear and concrete constellation despite multipath fading channels, the proposed EMC2-Net consists of equalizer and classifier having separate and explainable roles via novel three-phase training and noise-curriculum pretraining. Numerical results with linear modulation types under different channel models show that the proposed EMC2-Net achieves the performance of state-of-the-art MC techniques with significantly less complexity.
Approaching an unknown communication system by latent space exploration and causal inference
Authors: Gašper Beguš, Andrej Leban, Shane Gero
Date: 2023-03-20 00:00:00
Tasks: Causal Inference, Disentanglement

This paper proposes a methodology for discovering meaningful properties in data by exploring the latent space of unsupervised deep generative models. We combine manipulation of individual latent variables to extreme values with methods inspired by causal inference into an approach we call causal disentanglement with extreme values (CDEV) and show that this method yields insights for model interpretability. With this, we can test for what properties of unknown data the model encodes as meaningful, using it to glean insight into the communication system of sperm whales (Physeter macrocephalus), one of the most intriguing and understudied animal communication systems. The network architecture used has been shown to learn meaningful representations of speech; here, it is used as a learning mechanism to decipher the properties of another vocal communication system in which case we have no ground truth. The proposed methodology suggests that sperm whales encode information using the number of clicks in a sequence, the regularity of their timing, and audio properties such as the spectral mean and the acoustic regularity of the sequences. Some of these findings are consistent with existing hypotheses, while others are proposed for the first time. We also argue that our models uncover rules that govern the structure of units in the communication system and apply them while generating innovative data not shown during training. This paper suggests that an interpretation of the outputs of deep neural networks with causal inference methodology can be a viable strategy for approaching data about which little is known and presents another case of how deep learning can limit the hypothesis space. Finally, the proposed approach can be extended to other architectures and datasets.