pwc-archive/papers-with-abstracts huggingface dataset:
Improved architectures and training algorithms for deep operator networks
Authors: Sifan Wang, Hanwen Wang, Paris Perdikaris
Date: 2021-10-04 00:00:00
Tasks: Operator learning

Operator learning techniques have recently emerged as a powerful tool for learning maps between infinite-dimensional Banach spaces. Trained under appropriate constraints, they can also be effective in learning the solution operator of partial differential equations (PDEs) in an entirely self-supervised manner. In this work we analyze the training dynamics of deep operator networks (DeepONets) through the lens of Neural Tangent Kernel (NTK) theory, and reveal a bias that favors the approximation of functions with larger magnitudes. To correct this bias we propose to adaptively re-weight the importance of each training example, and demonstrate how this procedure can effectively balance the magnitude of back-propagated gradients during training via gradient descent. We also propose a novel network architecture that is more resilient to vanishing gradient pathologies. Taken together, our developments provide new insights into the training of DeepONets and consistently improve their predictive accuracy by a factor of 10-50x, demonstrated in the challenging setting of learning PDE solution operators in the absence of paired input-output observations. All code and data accompanying this manuscript are publicly available at \url{https://github.com/PredictiveIntelligenceLab/ImprovedDeepONets.}
Wireless Link Scheduling via Graph Representation Learning: A Comparative Study of Different Supervision Levels
Authors: Navid Naderializadeh
Date: 2021-10-04 00:00:00
Tasks: Graph Neural Network, Graph Representation Learning, Representation Learning, Scheduling, Self-Supervised Learning

We consider the problem of binary power control, or link scheduling, in wireless interference networks, where the power control policy is trained using graph representation learning. We leverage the interference graph of the wireless network as an underlying topology for a graph neural network (GNN) backbone, which converts the channel matrix to a set of node embeddings for all transmitter-receiver pairs. We show how the node embeddings can be trained in several ways, including via supervised, unsupervised, and self-supervised learning, and we compare the impact of different supervision levels on the performance of these methods in terms of the system-level throughput, convergence behavior, sample efficiency, and generalization capability.
Energy-based survival modelling using harmoniums
Authors: Hylke C. Donker, Harry J. M. Groen
Date: 2021-10-05 00:00:00
Tasks: Survival Analysis

Survival analysis concerns the study of timeline data where the event of interest may remain unobserved (i.e., censored). Studies commonly record more than one type of event, but conventional survival techniques focus on a single event type. We set out to integrate both multiple independently censored time-to-event variables as well as missing observations. An energy-based approach is taken with a bi-partite structure between latent and visible states, known as harmoniums (or restricted Boltzmann machines). The present harmonium is shown, both theoretically and experimentally, to capture non-linearly separable patterns between distinct time recordings. We illustrate on real world data that, for a single time-to-event variable, our model is on par with established methods. In addition, we demonstrate that discriminative predictions improve by leveraging an extra time-to-event variable. In conclusion, multiple time-to-event variables can be successfully captured within the harmonium paradigm.
Autoregressive Diffusion Models
Authors: Emiel Hoogeboom, Alexey A. Gritsenko, Jasmijn Bastings, Ben Poole, Rianne van den Berg, Tim Salimans
Date: 2021-10-05 00:00:00
Proceeding: ICLR 2022 4
Tasks: Image Generation

We introduce Autoregressive Diffusion Models (ARDMs), a model class encompassing and generalizing order-agnostic autoregressive models (Uria et al., 2014) and absorbing discrete diffusion (Austin et al., 2021), which we show are special cases of ARDMs under mild assumptions. ARDMs are simple to implement and easy to train. Unlike standard ARMs, they do not require causal masking of model representations, and can be trained using an efficient objective similar to modern probabilistic diffusion models that scales favourably to highly-dimensional data. At test time, ARDMs support parallel generation which can be adapted to fit any given generation budget. We find that ARDMs require significantly fewer steps than discrete diffusion models to attain the same performance. Finally, we apply ARDMs to lossless compression, and show that they are uniquely suited to this task. Contrary to existing approaches based on bits-back coding, ARDMs obtain compelling results not only on complete datasets, but also on compressing single data points. Moreover, this can be done using a modest number of network calls for (de)compression due to the model's adaptable parallel generation.
Top-N: Equivariant set and graph generation without exchangeability
Authors: Clement Vignac, Pascal Frossard
Date: 2021-10-05 00:00:00
Proceeding: ICLR 2022 4
Tasks: Drug Discovery, Generative Adversarial Network, Graph Generation, object-detection, Object Detection, valid

This work addresses one-shot set and graph generation, and, more specifically, the parametrization of probabilistic decoders that map a vector-shaped prior to a distribution over sets or graphs. Sets and graphs are most commonly generated by first sampling points i.i.d. from a normal distribution, and then processing these points along with the prior vector using Transformer layers or Graph Neural Networks. This architecture is designed to generate exchangeable distributions, i.e., all permutations of the generated outputs are equally likely. We however show that it only optimizes a proxy to the evidence lower bound, which makes it hard to train. We then study equivariance in generative settings and show that non-exchangeable methods can still achieve permutation equivariance. Using this result, we introduce Top-n creation, a differentiable generation mechanism that uses the latent vector to select the most relevant points from a trainable reference set. Top-n can replace i.i.d. generation in any Variational Autoencoder or Generative Adversarial Network. Experimentally, our method outperforms i.i.d. generation by 15% at SetMNIST reconstruction, by 33% at object detection on CLEVR, generates sets that are 74% closer to the true distribution on a synthetic molecule-like dataset, and generates more valid molecules on QM9.
NeurWIN: Neural Whittle Index Network For Restless Bandits Via Deep RL
Authors: Khaled Nakhleh, Santosh Ganji, Ping-Chun Hsieh, I-Hong Hou, Srinivas Shakkottai
Date: 2021-10-05 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Deep Reinforcement Learning

Whittle index policy is a powerful tool to obtain asymptotically optimal solutions for the notoriously intractable problem of restless bandits. However, finding the Whittle indices remains a difficult problem for many practical restless bandits with convoluted transition kernels. This paper proposes NeurWIN, a neural Whittle index network that seeks to learn the Whittle indices for any restless bandits by leveraging mathematical properties of the Whittle indices. We show that a neural network that produces the Whittle index is also one that produces the optimal control for a set of Markov decision problems. This property motivates using deep reinforcement learning for the training of NeurWIN. We demonstrate the utility of NeurWIN by evaluating its performance for three recently studied restless bandit problems. Our experiment results show that the performance of NeurWIN is significantly better than other RL algorithms.
Lossy compression of statistical data using quantum annealer
Authors: Boram Yoon, Nga T. T. Nguyen, Chia Cheng Chang, Ermal Rrapaj
Date: 2021-10-05 00:00:00
Tasks: Representation Learning

We present a new lossy compression algorithm for statistical floating-point data through a representation learning with binary variables. The algorithm finds a set of basis vectors and their binary coefficients that precisely reconstruct the original data. The optimization for the basis vectors is performed classically, while binary coefficients are retrieved through both simulated and quantum annealing for comparison. A bias correction procedure is also presented to estimate and eliminate the error and bias introduced from the inexact reconstruction of the lossy compression for statistical data analyses. The compression algorithm is demonstrated on two different datasets of lattice quantum chromodynamics simulations. The results obtained using simulated annealing show 3.5 times better compression performance than the algorithms based on a neural-network autoencoder and principal component analysis. Calculations using quantum annealing also show promising results, but performance is limited by the integrated control error of the quantum processing unit, which yields large uncertainties in the biases and coupling parameters. Hardware comparison is further studied between the previous generation D-Wave 2000Q and the current D-Wave Advantage system. Our study shows that the Advantage system is more likely to obtain low-energy solutions for the problems than the 2000Q.
Secure Aggregation for Buffered Asynchronous Federated Learning
Authors: Jinhyun So, Ramy E. Ali, Başak Güler, A. Salman Avestimehr
Date: 2021-10-05 00:00:00
Tasks: Federated Learning

Federated learning (FL) typically relies on synchronous training, which is slow due to stragglers. While asynchronous training handles stragglers efficiently, it does not ensure privacy due to the incompatibility with the secure aggregation protocols. A buffered asynchronous training protocol known as FedBuff has been proposed recently which bridges the gap between synchronous and asynchronous training to mitigate stragglers and to also ensure privacy simultaneously. FedBuff allows the users to send their updates asynchronously while ensuring privacy by storing the updates in a trusted execution environment (TEE) enabled private buffer. TEEs, however, have limited memory which limits the buffer size. Motivated by this limitation, we develop a buffered asynchronous secure aggregation (BASecAgg) protocol that does not rely on TEEs. The conventional secure aggregation protocols cannot be applied in the buffered asynchronous setting since the buffer may have local models corresponding to different rounds and hence the masks that the users use to protect their models may not cancel out. BASecAgg addresses this challenge by carefully designing the masks such that they cancel out even if they correspond to different rounds. Our convergence analysis and experiments show that BASecAgg almost has the same convergence guarantees as FedBuff without relying on TEEs.
Noisy Feature Mixup
Authors: Soon Hoe Lim, N. Benjamin Erichson, Francisco Utrera, Winnie Xu, Michael W. Mahoney
Date: 2021-10-05 00:00:00
Proceeding: ICLR 2022 4
Tasks: Data Augmentation

We introduce Noisy Feature Mixup (NFM), an inexpensive yet effective method for data augmentation that combines the best of interpolation based training and noise injection schemes. Rather than training with convex combinations of pairs of examples and their labels, we use noise-perturbed convex combinations of pairs of data points in both input and feature space. This method includes mixup and manifold mixup as special cases, but it has additional advantages, including better smoothing of decision boundaries and enabling improved model robustness. We provide theory to understand this as well as the implicit regularization effects of NFM. Our theory is supported by empirical results, demonstrating the advantage of NFM, as compared to mixup and manifold mixup. We show that residual networks and vision transformers trained with NFM have favorable trade-offs between predictive accuracy on clean data and robustness with respect to various types of data perturbation across a range of computer vision benchmark datasets.
Robust Linear Classification from Limited Training Data
Authors: Deepayan Chakrabarti
Date: 2021-10-04 00:00:00
Tasks: Classification, Dimensionality Reduction

We consider the problem of linear classification under general loss functions in the limited-data setting. Overfitting is a common problem here. The standard approaches to prevent overfitting are dimensionality reduction and regularization. But dimensionality reduction loses information, while regularization requires the user to choose a norm, or a prior, or a distance metric. We propose an algorithm called RoLin that needs no user choice and applies to a large class of loss functions. RoLin combines reliable information from the top principal components with a robust optimization to extract any useful information from unreliable subspaces. It also includes a new robust cross-validation that is better than existing cross-validation methods in the limited-data setting. Experiments on $25$ real-world datasets and three standard loss functions show that RoLin broadly outperforms both dimensionality reduction and regularization. Dimensionality reduction has $14\%-40\%$ worse test loss on average as compared to RoLin. Against $L_1$ and $L_2$ regularization, RoLin can be up to 3x better for logistic loss and 12x better for squared hinge loss. The differences are greatest for small sample sizes, where RoLin achieves the best loss on 2x to 3x more datasets than any competing method. For some datasets, RoLin with $15$ training samples is better than the best norm-based regularization with $1500$ samples.
Cross-Modal Virtual Sensing for Combustion Instability Monitoring
Authors: Tryambak Gangopadhyay, Vikram Ramanan, Satyanarayanan R Chakravarthy, Soumik Sarkar
Date: 2021-10-04 00:00:00
Tasks: Decoder, Time Series, Time Series Analysis

In many cyber-physical systems, imaging can be an important but expensive or 'difficult to deploy' sensing modality. One such example is detecting combustion instability using flame images, where deep learning frameworks have demonstrated state-of-the-art performance. The proposed frameworks are also shown to be quite trustworthy such that domain experts can have sufficient confidence to use these models in real systems to prevent unwanted incidents. However, flame imaging is not a common sensing modality in engine combustors today. Therefore, the current roadblock exists on the hardware side regarding the acquisition and processing of high-volume flame images. On the other hand, the acoustic pressure time series is a more feasible modality for data collection in real combustors. To utilize acoustic time series as a sensing modality, we propose a novel cross-modal encoder-decoder architecture that can reconstruct cross-modal visual features from acoustic pressure time series in combustion systems. With the "distillation" of cross-modal features, the results demonstrate that the detection accuracy can be enhanced using the virtual visual sensing modality. By providing the benefit of cross-modal reconstruction, our framework can prove to be useful in different domains well beyond the power generation and transportation industries.
Global Convergence and Stability of Stochastic Gradient Descent
Authors: Vivak Patel, Shushu Zhang, Bowen Tian
Date: 2021-10-04 00:00:00
Tasks: Stochastic Optimization

In machine learning, stochastic gradient descent (SGD) is widely deployed to train models using highly non-convex objectives with equally complex noise models. Unfortunately, SGD theory often makes restrictive assumptions that fail to capture the non-convexity of real problems, and almost entirely ignore the complex noise models that exist in practice. In this work, we make substantial progress on this shortcoming. First, we establish that SGD's iterates will either globally converge to a stationary point or diverge under nearly arbitrary nonconvexity and noise models. Under a slightly more restrictive assumption on the joint behavior of the non-convexity and noise model that generalizes current assumptions in the literature, we show that the objective function cannot diverge, even if the iterates diverge. As a consequence of our results, SGD can be applied to a greater range of stochastic optimization problems with confidence about its global convergence behavior and stability.
A manifold learning approach for gesture recognition from micro-Doppler radar measurements
Authors: Eric Mason, Hrushikesh Mhaskar, Adam Guo
Date: 2021-10-04 00:00:00
Tasks: Gesture Recognition

A recent paper (Neural Networks, {\bf 132} (2020), 253-268) introduces a straightforward and simple kernel based approximation for manifold learning that does not require the knowledge of anything about the manifold, except for its dimension. In this paper, we examine how the pointwise error in approximation using least squares optimization based on similarly localized kernels depends upon the data characteristics and deteriorates as one goes away from the training data. The theory is presented with an abstract localized kernel, which can utilize any prior knowledge about the data being located on an unknown sub-manifold of a known manifold. We demonstrate the performance of our approach using a publicly available micro-Doppler data set, and investigate the use of different preprocessing measures, kernels, and manifold dimensions. Specifically, it is shown that the localized kernel introduced in the above mentioned paper when used with PCA components leads to a near-competitive performance to deep neural networks, and offers significant improvements in training speed and memory requirements. To demonstrate the fact that our methods are agnostic to the domain knowledge, we examine the classification problem in a simple video data set.
HYPPO: A Surrogate-Based Multi-Level Parallelism Tool for Hyperparameter Optimization
Authors: Vincent Dumont, Casey Garner, Anuradha Trivedi, Chelsea Jones, Vidya Ganapati, Juliane Mueller, Talita Perciano, Mariam Kiran, Marc Day
Date: 2021-10-04 00:00:00
Tasks: Hyperparameter Optimization, image-classification, Image Classification, Image Reconstruction, Time Series, Time Series Analysis, Time Series Prediction

We present a new software, HYPPO, that enables the automatic tuning of hyperparameters of various deep learning (DL) models. Unlike other hyperparameter optimization (HPO) methods, HYPPO uses adaptive surrogate models and directly accounts for uncertainty in model predictions to find accurate and reliable models that make robust predictions. Using asynchronous nested parallelism, we are able to significantly alleviate the computational burden of training complex architectures and quantifying the uncertainty. HYPPO is implemented in Python and can be used with both TensorFlow and PyTorch libraries. We demonstrate various software features on time-series prediction and image classification problems as well as a scientific application in computed tomography image reconstruction. Finally, we show that (1) we can reduce by an order of magnitude the number of evaluations necessary to find the most optimal region in the hyperparameter space and (2) we can reduce by two orders of magnitude the throughput for such HPO process to complete.
Randomized Projection Learning Method forDynamic Mode Decomposition
Authors: Sudam Surasinghe, Erik M. Bollt
Date: 2021-09-22 00:00:00
Tasks: LEMMA

A data-driven analysis method known as dynamic mode decomposition (DMD) approximates the linear Koopman operator on projected space. In the spirit of Johnson-Lindenstrauss Lemma, we will use random projection to estimate the DMD modes in reduced dimensional space. In practical applications, snapshots are in high dimensional observable space and the DMD operator matrix is massive. Hence, computing DMD with the full spectrum is infeasible, so our main computational goal is estimating the eigenvalue and eigenvectors of the DMD operator in a projected domain. We will generalize the current algorithm to estimate a projected DMD operator. We focus on a powerful and simple random projection algorithm that will reduce the computational and storage cost. While clearly, a random projection simplifies the algorithmic complexity of a detailed optimal projection, as we will show, generally the results can be excellent nonetheless, and quality understood through a well-developed theory of random projections. We will demonstrate that modes can be calculated for a low cost by the projected data with sufficient dimension. Keyword: Koopman Operator, Dynamic Mode Decomposition(DMD), Johnson-Lindenstrauss Lemma, Random Projection, Data-driven method.
Pre-Quantized Deep Learning Models Codified in ONNX to Enable Hardware/Software Co-Design
Authors: Ulf Hanebutte, Andrew Baldwin, Senad Durakovic, Igor Filipovich, Chien-Chun, Chou, Damian Adamowicz, Derek Chickles, David Hawkes
Date: 2021-10-04 00:00:00
Tasks: Quantization

This paper presents a methodology to separate the quantization process from the hardware-specific model compilation stage via a pre-quantized deep learning model description in standard ONNX format. Separating the quantization process from the model compilation stage enables independent development. The methodology is expressive to convey hardware-specific operations and to embed key quantization parameters into a ONNX model which enables hardware/software co-design. Detailed examples are given for both MLP and CNN based networks, which can be extended to other networks in a straightforward fashion.
Multi-axis Attentive Prediction for Sparse EventData: An Application to Crime Prediction
Authors: Yi Sui, Ga Wu, Scott Sanner
Date: 2021-10-05 00:00:00
Tasks: Contrastive Learning, Crime Prediction, Prediction

Spatiotemporal prediction of event data is a challenging task with a long history of research. While recent work in spatiotemporal prediction has leveraged deep sequential models that substantially improve over classical approaches, these models are prone to overfitting when the observation is extremely sparse, as in the task of crime event prediction. To overcome these sparsity issues, we present Multi-axis Attentive Prediction for Sparse Event Data (MAPSED). We propose a purely attentional approach to extract both short-term dynamics and long-term semantics of event propagation through two observation angles. Unlike existing temporal prediction models that propagate latent information primarily along the temporal dimension, the MAPSED simultaneously operates over all axes (time, 2D space, event type) of the embedded data tensor. We additionally introduce a novel Frobenius norm-based contrastive learning objective to improve latent representational generalization.Empirically, we validate MAPSED on two publicly accessible urban crime datasets for spatiotemporal sparse event prediction, where MAPSED outperforms both classical and state-of-the-art deep learning models. The proposed contrastive learning objective significantly enhances the MAPSED's ability to capture the semantics and dynamics of the events, resulting in better generalization ability to combat sparse observations.