pwc-archive/papers-with-abstracts huggingface dataset:
Fault Prognosis in Particle Accelerator Power Electronics Using Ensemble Learning
Authors: Majdi I. Radaideh, Chris Pappas, Mark Wezensky, Pradeep Ramuhalli, Sarah Cousineau
Date: 2022-09-30 00:00:00
Tasks: Ensemble Learning, Fault Detection, Prognosis

Early fault detection and fault prognosis are crucial to ensure efficient and safe operations of complex engineering systems such as the Spallation Neutron Source (SNS) and its power electronics (high voltage converter modulators). Following an advanced experimental facility setup that mimics SNS operating conditions, the authors successfully conducted 21 fault prognosis experiments, where fault precursors are introduced in the system to a degree enough to cause degradation in the waveform signals, but not enough to reach a real fault. Nine different machine learning techniques based on ensemble trees, convolutional neural networks, support vector machines, and hierarchical voting ensembles are proposed to detect the fault precursors. Although all 9 models have shown a perfect and identical performance during the training and testing phase, the performance of most models has decreased in the prognosis phase once they got exposed to real-world data from the 21 experiments. The hierarchical voting ensemble, which features multiple layers of diverse models, maintains a distinguished performance in early detection of the fault precursors with 95% success rate (20/21 tests), followed by adaboost and extremely randomized trees with 52% and 48% success rates, respectively. The support vector machine models were the worst with only 24% success rate (5/21 tests). The study concluded that a successful implementation of machine learning in the SNS or particle accelerator power systems would require a major upgrade in the controller and the data acquisition system to facilitate streaming and handling big data for the machine learning models. In addition, this study shows that the best performing models were diverse and based on the ensemble concept to reduce the bias and hyperparameter sensitivity of individual models.
Holographic-(V)AE: an end-to-end SO(3)-Equivariant (Variational) Autoencoder in Fourier Space
Authors: Gian Marco Visani, Michael N. Pun, Arman Angaji, Armita Nourmohammad
Date: 2022-09-30 00:00:00

Group-equivariant neural networks have emerged as a data-efficient approach to solve classification and regression tasks, while respecting the relevant symmetries of the data. However, little work has been done to extend this paradigm to the unsupervised and generative domains. Here, we present Holographic-(Variational) Auto Encoder (H-(V)AE), a fully end-to-end SO(3)-equivariant (variational) autoencoder in Fourier space, suitable for unsupervised learning and generation of data distributed around a specified origin in 3D. H-(V)AE is trained to reconstruct the spherical Fourier encoding of data, learning in the process a low-dimensional representation of the data (i.e., a latent space) with a maximally informative rotationally invariant embedding alongside an equivariant frame describing the orientation of the data. We extensively test the performance of H-(V)AE on diverse datasets. We show that the learned latent space efficiently encodes the categorical features of spherical images. Moreover, H-(V)AE's latent space can be used to extract compact embeddings for protein structure microenvironments, and when paired with a Random Forest Regressor, it enables state-of-the-art predictions of protein-ligand binding affinity.
On the optimization and generalization of overparameterized implicit neural networks
Authors: Tianxiang Gao, Hongyang Gao
Date: 2022-09-30 00:00:00

Implicit neural networks have become increasingly attractive in the machine learning community since they can achieve competitive performance but use much less computational resources. Recently, a line of theoretical works established the global convergences for first-order methods such as gradient descent if the implicit networks are over-parameterized. However, as they train all layers together, their analyses are equivalent to only studying the evolution of the output layer. It is unclear how the implicit layer contributes to the training. Thus, in this paper, we restrict ourselves to only training the implicit layer. We show that global convergence is guaranteed, even if only the implicit layer is trained. On the other hand, the theoretical understanding of when and how the training performance of an implicit neural network can be generalized to unseen data is still under-explored. Although this problem has been studied in standard feed-forward networks, the case of implicit neural networks is still intriguing since implicit networks theoretically have infinitely many layers. Therefore, this paper investigates the generalization error for implicit neural networks. Specifically, we study the generalization of an implicit network activated by the ReLU function over random initialization. We provide a generalization bound that is initialization sensitive. As a result, we show that gradient flow with proper random initialization can train a sufficient over-parameterized implicit network to achieve arbitrarily small generalization errors.
Designing and Training of Lightweight Neural Networks on Edge Devices using Early Halting in Knowledge Distillation
Authors: Rahul Mishra, Hari Prabhat Gupta
Date: 2022-09-30 00:00:00
Tasks: Knowledge Distillation

Automated feature extraction capability and significant performance of Deep Neural Networks (DNN) make them suitable for Internet of Things (IoT) applications. However, deploying DNN on edge devices becomes prohibitive due to the colossal computation, energy, and storage requirements. This paper presents a novel approach for designing and training lightweight DNN using large-size DNN. The approach considers the available storage, processing speed, and maximum allowable processing time to execute the task on edge devices. We present a knowledge distillation based training procedure to train the lightweight DNN to achieve adequate accuracy. During the training of lightweight DNN, we introduce a novel early halting technique, which preserves network resources; thus, speedups the training procedure. Finally, we present the empirically and real-world evaluations to verify the effectiveness of the proposed approach under different constraints using various edge devices.
Bayesian Neural Networks for Geothermal Resource Assessment: Prediction with Uncertainty
Authors: Stephen Brown, William L. Rodi, Marco Seracini, Chen Gu, Michael Fehler, James Faulds, Connor M. Smith, Sven Treitel
Date: 2022-09-30 00:00:00

We consider the application of machine learning to the evaluation of geothermal resource potential. A supervised learning problem is defined where maps of 10 geological and geophysical features within the state of Nevada, USA are used to define geothermal potential across a broad region. We have available a relatively small set of positive training sites (known resources or active power plants) and negative training sites (known drill sites with unsuitable geothermal conditions) and use these to constrain and optimize artificial neural networks for this classification task. The main objective is to predict the geothermal resource potential at unknown sites within a large geographic area where the defining features are known. These predictions could be used to target promising areas for further detailed investigations. We describe the evolution of our work from defining a specific neural network architecture to training and optimization trials. Upon analysis we expose the inevitable problems of model variability and resulting prediction uncertainty. Finally, to address these problems we apply the concept of Bayesian neural networks, a heuristic approach to regularization in network training, and make use of the practical interpretation of the formal uncertainty measures they provide.
Cooperation in the Latent Space: The Benefits of Adding Mixture Components in Variational Autoencoders
Authors: Oskar Kviman, Ricky Molén, Alexandra Hotti, Semih Kurt, Víctor Elvira, Jens Lagergren
Date: 2022-09-30 00:00:00
Tasks: Variational Inference

In this paper, we show how the mixture components cooperate when they jointly adapt to maximize the ELBO. We build upon recent advances in the multiple and adaptive importance sampling literature. We then model the mixture components using separate encoder networks and show empirically that the ELBO is monotonically non-decreasing as a function of the number of mixture components. These results hold for a range of different VAE architectures on the MNIST, FashionMNIST, and CIFAR-10 datasets. In this work, we also demonstrate that increasing the number of mixture components improves the latent-representation capabilities of the VAE on both image and single-cell datasets. This cooperative behavior motivates that using Mixture VAEs should be considered a standard approach for obtaining more flexible variational approximations. Finally, Mixture VAEs are here, for the first time, compared and combined with normalizing flows, hierarchical models and/or the VampPrior in an extensive ablation study. Multiple of our Mixture VAEs achieve state-of-the-art log-likelihood results for VAE architectures on the MNIST and FashionMNIST datasets. The experiments are reproducible using our code, provided here: https://github.com/lagergren-lab/mixturevaes.
Momentum Tracking: Momentum Acceleration for Decentralized Deep Learning on Heterogeneous Data
Authors: Yuki Takezawa, Han Bao, Kenta Niwa, Ryoma Sato, Makoto Yamada
Date: 2022-09-30 00:00:00
Tasks: Image Classification

SGD with momentum is one of the key components for improving the performance of neural networks. For decentralized learning, a straightforward approach using momentum is Distributed SGD (DSGD) with momentum (DSGDm). However, DSGDm performs worse than DSGD when the data distributions are statistically heterogeneous. Recently, several studies have addressed this issue and proposed methods with momentum that are more robust to data heterogeneity than DSGDm, although their convergence rates remain dependent on data heterogeneity and deteriorate when the data distributions are heterogeneous. In this study, we propose Momentum Tracking, which is a method with momentum whose convergence rate is proven to be independent of data heterogeneity. More specifically, we analyze the convergence rate of Momentum Tracking in the setting where the objective function is non-convex and the stochastic gradient is used. Then, we identify that it is independent of data heterogeneity for any momentum coefficient $\beta \in [0, 1)$. Through experiments, we demonstrate that Momentum Tracking is more robust to data heterogeneity than the existing decentralized learning methods with momentum and can consistently outperform these existing methods when the data distributions are heterogeneous.
Efficient LSTM Training with Eligibility Traces
Authors: Michael Hoyer, Shahram Eivazi, Sebastian Otte
Date: 2022-09-30 00:00:00
Tasks: Q-Learning, Reinforcement Learning (RL)

Training recurrent neural networks is predominantly achieved via backpropagation through time (BPTT). However, this algorithm is not an optimal solution from both a biological and computational perspective. A more efficient and biologically plausible alternative for BPTT is e-prop. We investigate the applicability of e-prop to long short-term memorys (LSTMs), for both supervised and reinforcement learning (RL) tasks. We show that e-prop is a suitable optimization algorithm for LSTMs by comparing it to BPTT on two benchmarks for supervised learning. This proves that e-prop can achieve learning even for problems with long sequences of several hundred timesteps. We introduce extensions that improve the performance of e-prop, which can partially be applied to other network architectures. With the help of these extensions we show that, under certain conditions, e-prop can outperform BPTT for one of the two benchmarks for supervised learning. Finally, we deliver a proof of concept for the integration of e-prop to RL in the domain of deep recurrent Q-learning.
Graph Neural Networks for Link Prediction with Subgraph Sketching
Authors: Benjamin Paul Chamberlain, Sergey Shirobokov, Emanuele Rossi, Fabrizio Frasca, Thomas Markovich, Nils Hammerla, Michael M. Bronstein, Max Hansmire
Date: 2022-09-30 00:00:00
Tasks: GPU, Link Prediction, Prediction

Many Graph Neural Networks (GNNs) perform poorly compared to simple heuristics on Link Prediction (LP) tasks. This is due to limitations in expressive power such as the inability to count triangles (the backbone of most LP heuristics) and because they can not distinguish automorphic nodes (those having identical structural roles). Both expressiveness issues can be alleviated by learning link (rather than node) representations and incorporating structural features such as triangle counts. Since explicit link representations are often prohibitively expensive, recent works resorted to subgraph-based methods, which have achieved state-of-the-art performance for LP, but suffer from poor efficiency due to high levels of redundancy between subgraphs. We analyze the components of subgraph GNN (SGNN) methods for link prediction. Based on our analysis, we propose a novel full-graph GNN called ELPH (Efficient Link Prediction with Hashing) that passes subgraph sketches as messages to approximate the key components of SGNNs without explicit subgraph construction. ELPH is provably more expressive than Message Passing GNNs (MPNNs). It outperforms existing SGNN models on many standard LP benchmarks while being orders of magnitude faster. However, it shares the common GNN limitation that it is only efficient when the dataset fits in GPU memory. Accordingly, we develop a highly scalable model, called BUDDY, which uses feature precomputation to circumvent this limitation without sacrificing predictive performance. Our experiments show that BUDDY also outperforms SGNNs on standard LP benchmarks while being highly scalable and faster than ELPH.
Augmentation Invariant Discrete Representation for Generative Spoken Language Modeling
Authors: Itai Gat, Felix Kreuk, Tu Anh Nguyen, Ann Lee, Jade Copet, Gabriel Synnaeve, Emmanuel Dupoux, Yossi Adi
Date: 2022-09-30 00:00:00
Tasks: Language Modeling, Language Modelling, Speech-to-Speech Translation

Generative Spoken Language Modeling research focuses on optimizing speech Language Models (LMs) using raw audio recordings without accessing any textual supervision. Such speech LMs usually operate over discrete units obtained from quantizing internal representations of self-supervised models. Although such units show impressive modeling results, their robustness capabilities have not been extensively investigated. This work focuses on improving the robustness of discrete input representations for generative spoken language modeling. First, we formally define how to measure the robustness of such representations to various signal variations that do not alter the spoken information (e.g., time-stretch). Next, we empirically demonstrate how current state-of-the-art representation models lack robustness to such variations. To overcome this, we propose an effective and efficient method to learn robust discrete speech representation for generative spoken language modeling. The proposed approach is based on applying a set of signal transformations to the speech signal and optimizing the model using an iterative pseudo-labeling scheme. Our method significantly improves over the evaluated baselines when considering encoding and modeling metrics. We additionally evaluate our method on the speech-to-speech translation task, considering Spanish-English and French-English translations, and show the proposed approach outperforms the evaluated baselines.
Sparsity-Constrained Optimal Transport
Authors: Tianlin Liu, Joan Puigcerver, Mathieu Blondel
Date: 2022-09-30 00:00:00
Tasks: Mixture-of-Experts

Regularized optimal transport (OT) is now increasingly used as a loss or as a matching layer in neural networks. Entropy-regularized OT can be computed using the Sinkhorn algorithm but it leads to fully-dense transportation plans, meaning that all sources are (fractionally) matched with all targets. To address this issue, several works have investigated quadratic regularization instead. This regularization preserves sparsity and leads to unconstrained and smooth (semi) dual objectives, that can be solved with off-the-shelf gradient methods. Unfortunately, quadratic regularization does not give direct control over the cardinality (number of nonzeros) of the transportation plan. We propose in this paper a new approach for OT with explicit cardinality constraints on the transportation plan. Our work is motivated by an application to sparse mixture of experts, where OT can be used to match input tokens such as image patches with expert models such as neural networks. Cardinality constraints ensure that at most $k$ tokens are matched with an expert, which is crucial for computational performance reasons. Despite the nonconvexity of cardinality constraints, we show that the corresponding (semi) dual problems are tractable and can be solved with first-order gradient methods. Our method can be thought as a middle ground between unregularized OT (recovered in the limit case $k=1$) and quadratically-regularized OT (recovered when $k$ is large enough). The smoothness of the objectives increases as $k$ increases, giving rise to a trade-off between convergence speed and sparsity of the optimal plan.
Explainable Censored Learning: Finding Critical Features with Long Term Prognostic Values for Survival Prediction
Authors: Xinxing Wu, Chong Peng, Richard Charnigo, Qiang Cheng
Date: 2022-09-30 00:00:00
Tasks: Survival Prediction

Interpreting critical variables involved in complex biological processes related to survival time can help understand prediction from survival models, evaluate treatment efficacy, and develop new therapies for patients. Currently, the predictive results of deep learning (DL)-based models are better than or as good as standard survival methods, they are often disregarded because of their lack of transparency and little interpretability, which is crucial to their adoption in clinical applications. In this paper, we introduce a novel, easily deployable approach, called EXplainable CEnsored Learning (EXCEL), to iteratively exploit critical variables and simultaneously implement (DL) model training based on these variables. First, on a toy dataset, we illustrate the principle of EXCEL; then, we mathematically analyze our proposed method, and we derive and prove tight generalization error bounds; next, on two semi-synthetic datasets, we show that EXCEL has good anti-noise ability and stability; finally, we apply EXCEL to a variety of real-world survival datasets including clinical data and genetic data, demonstrating that EXCEL can effectively identify critical features and achieve performance on par with or better than the original models. It is worth pointing out that EXCEL is flexibly deployed in existing or emerging models for explainable survival data in the presence of right censoring.
End-to-End Label Uncertainty Modeling in Speech Emotion Recognition using Bayesian Neural Networks and Label Distribution Learning
Authors: Navin Raj Prabhu, Nale Lehmann-Willenbrock, Timo Gerkman
Date: 2022-09-30 00:00:00
Tasks: Emotion Recognition, Speech Emotion Recognition

To train machine learning algorithms to predict emotional expressions in terms of arousal and valence, annotated datasets are needed. However, as different people perceive others' emotional expressions differently, their annotations are subjective. To account for this, annotations are typically collected from multiple annotators and averaged to obtain ground-truth labels. However, when exclusively trained on this averaged ground-truth, the model is agnostic to the inherent subjectivity in emotional expressions. In this work, we therefore propose an end-to-end Bayesian neural network capable of being trained on a distribution of annotations to also capture the subjectivity-based label uncertainty. Instead of a Gaussian, we model the annotation distribution using Student's t-distribution, which also accounts for the number of annotations available. We derive the corresponding Kullback-Leibler divergence loss and use it to train an estimator for the annotation distribution, from which the mean and uncertainty can be inferred. We validate the proposed method using two in-the-wild datasets. We show that the proposed t-distribution based approach achieves state-of-the-art uncertainty modeling results in speech emotion recognition, and also consistent results in cross-corpora evaluations. Furthermore, analyses reveal that the advantage of a t-distribution over a Gaussian grows with increasing inter-annotator correlation and a decreasing number of annotations available.
Empowering the trustworthiness of ML-based critical systems through engineering activities
Authors: Juliette Mattioli, Agnes Delaborde, Souhaiel Khalfaoui, Freddy Lecue, Henri Sohier, Frederic Jurie
Date: 2022-09-30 00:00:00

This paper reviews the entire engineering process of trustworthy Machine Learning (ML) algorithms designed to equip critical systems with advanced analytics and decision functions. We start from the fundamental principles of ML and describe the core elements conditioning its trust, particularly through its design: namely domain specification, data engineering, design of the ML algorithms, their implementation, evaluation and deployment. The latter components are organized in an unique framework for the design of trusted ML systems.
TabDDPM: Modelling Tabular Data with Diffusion Models
Authors: Akim Kotelnikov, Dmitry Baranchuk, Ivan Rubachev, Artem Babenko
Date: 2022-09-30 00:00:00
Tasks: Denoising

Denoising diffusion probabilistic models are currently becoming the leading paradigm of generative modeling for many important data modalities. Being the most prevalent in the computer vision community, diffusion models have also recently gained some attention in other domains, including speech, NLP, and graph-like data. In this work, we investigate if the framework of diffusion models can be advantageous for general tabular problems, where datapoints are typically represented by vectors of heterogeneous features. The inherent heterogeneity of tabular data makes it quite challenging for accurate modeling, since the individual features can be of completely different nature, i.e., some of them can be continuous and some of them can be discrete. To address such data types, we introduce TabDDPM -- a diffusion model that can be universally applied to any tabular dataset and handles any type of feature. We extensively evaluate TabDDPM on a wide set of benchmarks and demonstrate its superiority over existing GAN/VAE alternatives, which is consistent with the advantage of diffusion models in other fields. Additionally, we show that TabDDPM is eligible for privacy-oriented setups, where the original datapoints cannot be publicly shared.