pwc-archive/papers-with-abstracts huggingface dataset:
Markov Chain Monte Carlo for Continuous-Time Switching Dynamical Systems
Authors: Lukas Köhs, Bastian Alt, Heinz Koeppl
Date: 2022-05-18 00:00:00
Tasks: parameter estimation, Time Series, Time Series Analysis, Variational Inference

Switching dynamical systems are an expressive model class for the analysis of time-series data. As in many fields within the natural and engineering sciences, the systems under study typically evolve continuously in time, it is natural to consider continuous-time model formulations consisting of switching stochastic differential equations governed by an underlying Markov jump process. Inference in these types of models is however notoriously difficult, and tractable computational schemes are rare. In this work, we propose a novel inference algorithm utilizing a Markov Chain Monte Carlo approach. The presented Gibbs sampler allows to efficiently obtain samples from the exact continuous-time posterior processes. Our framework naturally enables Bayesian parameter estimation, and we also include an estimate for the diffusion covariance, which is oftentimes assumed fixed in stochastic differential equation models. We evaluate our framework under the modeling assumption and compare it against an existing variational inference approach.
On-device modeling of user's social context and familiar places from smartphone-embedded sensor data
Authors: Mattia Giovanni Campana, Franca Delmastro
Date: 2022-05-18 00:00:00

Context modeling and recognition represent complex tasks that allow mobile and ubiquitous computing applications to adapt to the user's situation. Current solutions mainly focus on limited context information generally processed on centralized architectures, potentially exposing users' personal data to privacy leakage, and missing personalization features. For these reasons on-device context modeling and recognition represent the current research trend in this area. Among the different information characterizing the user's context in mobile environments, social interactions and visited locations remarkably contribute to the characterization of daily life scenarios. In this paper we propose a novel, unsupervised and lightweight approach to model the user's social context and her locations based on ego networks directly on the user mobile device. Relying on this model, the system is able to extract high-level and semantic-rich context features from smartphone-embedded sensors data. Specifically, for the social context it exploits data related to both physical and cyber social interactions among users and their devices. As far as location context is concerned, we assume that it is more relevant to model the familiarity degree of a specific location for the user's context than the raw location data, both in terms of GPS coordinates and proximity devices. By using 5 real-world datasets, we assess the structure of the social and location ego networks, we provide a semantic evaluation of the proposed models and a complexity evaluation in terms of mobile computing performance. Finally, we demonstrate the relevance of the extracted features by showing the performance of 3 machine learning algorithms to recognize daily-life situations, obtaining an improvement of 3% of AUROC, 9% of Precision, and 5% in terms of Recall with respect to use only features related to physical context.
Probability trees and the value of a single intervention
Authors: Tue Herlau
Date: 2022-05-18 00:00:00
Tasks: Active Learning

The most fundamental problem in statistical causality is determining causal relationships from limited data. Probability trees, which combine prior causal structures with Bayesian updates, have been suggested as a possible solution. In this work, we quantify the information gain from a single intervention and show that both the anticipated information gain, prior to making an intervention, and the expected gain from an intervention have simple expressions. This results in an active-learning method that simply selects the intervention with the highest anticipated gain, which we illustrate through several examples. Our work demonstrates how probability trees, and Bayesian estimation of their parameters, offer a simple yet viable approach to fast causal induction.
Marginal and Joint Cross-Entropies & Predictives for Online Bayesian Inference, Active Learning, and Active Sampling
Authors: Andreas Kirsch, Jannik Kossen, Yarin Gal
Date: 2022-05-18 00:00:00
Tasks: Active Learning, Bayesian Inference, Decision Making, Sequential Decision Making

Principled Bayesian deep learning (BDL) does not live up to its potential when we only focus on marginal predictive distributions (marginal predictives). Recent works have highlighted the importance of joint predictives for (Bayesian) sequential decision making from a theoretical and synthetic perspective. We provide additional practical arguments grounded in real-world applications for focusing on joint predictives: we discuss online Bayesian inference, which would allow us to make predictions while taking into account additional data without retraining, and we propose new challenging evaluation settings using active learning and active sampling. These settings are motivated by an examination of marginal and joint predictives, their respective cross-entropies, and their place in offline and online learning. They are more realistic than previously suggested ones, building on work by Wen et al. (2021) and Osband et al. (2022), and focus on evaluating the performance of approximate BNNs in an online supervised setting. Initial experiments, however, raise questions on the feasibility of these ideas in high-dimensional parameter spaces with current BDL inference techniques, and we suggest experiments that might help shed further light on the practicality of current research for these problems. Importantly, our work highlights previously unidentified gaps in current research and the need for better approximate joint predictives.
Revisiting PINNs: Generative Adversarial Physics-informed Neural Networks and Point-weighting Method
Authors: Wensheng Li, Chao Zhang, Chuncheng Wang, Hanting Guan, DaCheng Tao
Date: 2022-05-18 00:00:00

Physics-informed neural networks (PINNs) provide a deep learning framework for numerically solving partial differential equations (PDEs), and have been widely used in a variety of PDE problems. However, there still remain some challenges in the application of PINNs: 1) the mechanism of PINNs is unsuitable (at least cannot be directly applied) to exploiting a small size of (usually very few) extra informative samples to refine the networks; and 2) the efficiency of training PINNs often becomes low for some complicated PDEs. In this paper, we propose the generative adversarial physics-informed neural network (GA-PINN), which integrates the generative adversarial (GA) mechanism with the structure of PINNs, to improve the performance of PINNs by exploiting only a small size of exact solutions to the PDEs. Inspired from the weighting strategy of the Adaboost method, we then introduce a point-weighting (PW) method to improve the training efficiency of PINNs, where the weight of each sample point is adaptively updated at each training iteration. The numerical experiments show that GA-PINNs outperform PINNs in many well-known PDEs and the PW method also improves the efficiency of training PINNs and GA-PINNs.
A Regression Approach to Learning-Augmented Online Algorithms
Authors: Keerti Anand, Rong Ge, Amit Kumar, Debmalya Panigrahi
Date: 2022-05-18 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: regression, Scheduling

The emerging field of learning-augmented online algorithms uses ML techniques to predict future input parameters and thereby improve the performance of online algorithms. Since these parameters are, in general, real-valued functions, a natural approach is to use regression techniques to make these predictions. We introduce this approach in this paper, and explore it in the context of a general online search framework that captures classic problems like (generalized) ski rental, bin packing, minimum makespan scheduling, etc. We show nearly tight bounds on the sample complexity of this regression problem, and extend our results to the agnostic setting. From a technical standpoint, we show that the key is to incorporate online optimization benchmarks in the design of the loss function for the regression problem, thereby diverging from the use of off-the-shelf regression tools with standard bounds on statistical error.
No More Pesky Hyperparameters: Offline Hyperparameter Tuning for RL
Authors: Han Wang, Archit Sakhadeo, Adam White, James Bell, Vincent Liu, Xutong Zhao, Puer Liu, Tadashi Kozuno, Alona Fyshe, Martha White
Date: 2022-05-18 00:00:00
Tasks: Reinforcement Learning (RL)

The performance of reinforcement learning (RL) agents is sensitive to the choice of hyperparameters. In real-world settings like robotics or industrial control systems, however, testing different hyperparameter configurations directly on the environment can be financially prohibitive, dangerous, or time consuming. We propose a new approach to tune hyperparameters from offline logs of data, to fully specify the hyperparameters for an RL agent that learns online in the real world. The approach is conceptually simple: we first learn a model of the environment from the offline data, which we call a calibration model, and then simulate learning in the calibration model to identify promising hyperparameters. We identify several criteria to make this strategy effective, and develop an approach that satisfies these criteria. We empirically investigate the method in a variety of settings to identify when it is effective and when it fails.
Customizing ML Predictions for Online Algorithms
Authors: Keerti Anand, Rong Ge, Debmalya Panigrahi
Date: 2022-05-18 00:00:00
Proceeding: ICML 2020 1

A popular line of recent research incorporates ML advice in the design of online algorithms to improve their performance in typical instances. These papers treat the ML algorithm as a black-box, and redesign online algorithms to take advantage of ML predictions. In this paper, we ask the complementary question: can we redesign ML algorithms to provide better predictions for online algorithms? We explore this question in the context of the classic rent-or-buy problem, and show that incorporating optimization benchmarks in ML loss functions leads to significantly better performance, while maintaining a worst-case adversarial result when the advice is completely wrong. We support this finding both through theoretical bounds and numerical simulations.
CARNet: A Dynamic Autoencoder for Learning Latent Dynamics in Autonomous Driving Tasks
Authors: Andrey Pak, Hemanth Manjunatha, Dimitar Filev, Panagiotis Tsiotras
Date: 2022-05-18 00:00:00
Tasks: Autonomous Driving

Autonomous driving has received a lot of attention in the automotive industry and is often seen as the future of transportation. Passenger vehicles equipped with a wide array of sensors (e.g., cameras, front-facing radars, LiDARs, and IMUs) capable of continuous perception of the environment are becoming increasingly prevalent. These sensors provide a stream of high-dimensional, temporally correlated data that is essential for reliable autonomous driving. An autonomous driving system should effectively use the information collected from the various sensors in order to form an abstract description of the world and maintain situational awareness. Deep learning models, such as autoencoders, can be used for that purpose, as they can learn compact latent representations from a stream of incoming data. However, most autoencoder models process the data independently, without assuming any temporal interdependencies. Thus, there is a need for deep learning models that explicitly consider the temporal dependence of the data in their architecture. This work proposes CARNet, a Combined dynAmic autoencodeR NETwork architecture that utilizes an autoencoder combined with a recurrent neural network to learn the current latent representation and, in addition, also predict future latent representations in the context of autonomous driving. We demonstrate the efficacy of the proposed model in both imitation and reinforcement learning settings using both simulated and real datasets. Our results show that the proposed model outperforms the baseline state-of-the-art model, while having significantly fewer trainable parameters.
Accurate Fairness: Improving Individual Fairness without Trading Accuracy
Authors: Xuran Li, Peng Wu, Jing Su
Date: 2022-05-18 00:00:00
Tasks: BIG-bench Machine Learning, Fairness

Accuracy and individual fairness are both crucial for trustworthy machine learning, but these two aspects are often incompatible with each other so that enhancing one aspect may sacrifice the other inevitably with side effects of true bias or false fairness. We propose in this paper a new fairness criterion, accurate fairness, to align individual fairness with accuracy. Informally, it requires the treatments of an individual and the individual's similar counterparts to conform to a uniform target, i.e., the ground truth of the individual. We prove that accurate fairness also implies typical group fairness criteria over a union of similar sub-populations. We then present a Siamese fairness in-processing approach to minimize the accuracy and fairness losses of a machine learning model under the accurate fairness constraints. To the best of our knowledge, this is the first time that a Siamese approach is adapted for bias mitigation. We also propose fairness confusion matrix-based metrics, fair-precision, fair-recall, and fair-F1 score, to quantify a trade-off between accuracy and individual fairness. Comparative case studies with popular fairness datasets show that our Siamese fairness approach can achieve on average 1.02%-8.78% higher individual fairness (in terms of fairness through awareness) and 8.38%-13.69% higher accuracy, as well as 10.09%-20.57% higher true fair rate, and 5.43%-10.01% higher fair-F1 score, than the state-of-the-art bias mitigation techniques. This demonstrates that our Siamese fairness approach can indeed improve individual fairness without trading accuracy. Finally, the accurate fairness criterion and Siamese fairness approach are applied to mitigate the possible service discrimination with a real Ctrip dataset, by on average fairly serving 112.33% more customers (specifically, 81.29% more customers in an accurately fair way) than baseline models.
QAPPA: Quantization-Aware Power, Performance, and Area Modeling of DNN Accelerators
Authors: Ahmet Inci, Siri Garudanagiri Virupaksha, Aman Jain, Venkata Vivek Thallam, Ruizhou Ding, Diana Marculescu
Date: 2022-05-17 00:00:00
Tasks: Model Compression, Quantization

As the machine learning and systems community strives to achieve higher energy-efficiency through custom DNN accelerators and model compression techniques, there is a need for a design space exploration framework that incorporates quantization-aware processing elements into the accelerator design space while having accurate and fast power, performance, and area models. In this work, we present QAPPA, a highly parameterized quantization-aware power, performance, and area modeling framework for DNN accelerators. Our framework can facilitate the future research on design space exploration of DNN accelerators for various design choices such as bit precision, processing element type, scratchpad sizes of processing elements, global buffer size, device bandwidth, number of total processing elements in the the design, and DNN workloads. Our results show that different bit precisions and processing element types lead to significant differences in terms of performance per area and energy. Specifically, our proposed lightweight processing elements achieve up to 4.9x more performance per area and energy improvement when compared to INT16 based implementation.
Frank Wolfe Meets Metric Entropy
Authors: Suhas Vijaykumar
Date: 2022-05-17 00:00:00

The Frank-Wolfe algorithm has seen a resurgence in popularity due to its ability to efficiently solve constrained optimization problems in machine learning and high-dimensional statistics. As such, there is much interest in establishing when the algorithm may possess a "linear" $O(\log(1/\epsilon))$ dimension-free iteration complexity comparable to projected gradient descent. In this paper, we provide a general technique for establishing domain specific and easy-to-estimate lower bounds for Frank-Wolfe and its variants using the metric entropy of the domain. Most notably, we show that a dimension-free linear upper bound must fail not only in the worst case, but in the \emph{average case}: for a Gaussian or spherical random polytope in $\mathbb{R}^d$ with $\mathrm{poly}(d)$ vertices, Frank-Wolfe requires up to $\tilde\Omega(d)$ iterations to achieve a $O(1/d)$ error bound, with high probability. We also establish this phenomenon for the nuclear norm ball. The link with metric entropy also has interesting positive implications for conditional gradient algorithms in statistics, such as gradient boosting and matching pursuit. In particular, we show that it is possible to extract fast-decaying upper bounds on the excess risk directly from an analysis of the underlying optimization procedure.
Classification as Direction Recovery: Improved Guarantees via Scale Invariance
Authors: Suhas Vijaykumar, Claire Lazar Reich
Date: 2022-05-17 00:00:00
Tasks: Binary Classification, Classification, regression

Modern algorithms for binary classification rely on an intermediate regression problem for computational tractability. In this paper, we establish a geometric distinction between classification and regression that allows risk in these two settings to be more precisely related. In particular, we note that classification risk depends only on the direction of the regressor, and we take advantage of this scale invariance to improve existing guarantees for how classification risk is bounded by the risk in the intermediate regression problem. Building on these guarantees, our analysis makes it possible to compare algorithms more accurately against each other and suggests viewing classification as unique from regression rather than a byproduct of it. While regression aims to converge toward the conditional expectation function in location, we propose that classification should instead aim to recover its direction.
A graph representation of molecular ensembles for polymer property prediction
Authors: Matteo Aldeghi, Connor W. Coley
Date: 2022-05-17 00:00:00
Tasks: BIG-bench Machine Learning, Graph Neural Network, Property Prediction

Synthetic polymers are versatile and widely used materials. Similar to small organic molecules, a large chemical space of such materials is hypothetically accessible. Computational property prediction and virtual screening can accelerate polymer design by prioritizing candidates expected to have favorable properties. However, in contrast to organic molecules, polymers are often not well-defined single structures but an ensemble of similar molecules, which poses unique challenges to traditional chemical representations and machine learning approaches. Here, we introduce a graph representation of molecular ensembles and an associated graph neural network architecture that is tailored to polymer property prediction. We demonstrate that this approach captures critical features of polymeric materials, like chain architecture, monomer stoichiometry, and degree of polymerization, and achieves superior accuracy to off-the-shelf cheminformatics methodologies. While doing so, we built a dataset of simulated electron affinity and ionization potential values for >40k polymers with varying monomer composition, stoichiometry, and chain architecture, which may be used in the development of other tailored machine learning approaches. The dataset and machine learning models presented in this work pave the path toward new classes of algorithms for polymer informatics and, more broadly, introduce a framework for the modeling of molecular ensembles.
Learning to Learn Quantum Turbo Detection
Authors: Bryan Liu, Toshiaki Koike-Akino, Ye Wang, Kieran Parsons
Date: 2022-05-17 00:00:00
Tasks: Decoder

This paper investigates a turbo receiver employing a variational quantum circuit (VQC). The VQC is configured with an ansatz of the quantum approximate optimization algorithm (QAOA). We propose a 'learning to learn' (L2L) framework to optimize the turbo VQC decoder such that high fidelity soft-decision output is generated. Besides demonstrating the proposed algorithm's computational complexity, we show that the L2L VQC turbo decoder can achieve an excellent performance close to the optimal maximum-likelihood performance in a multiple-input multiple-output system.
Bagged Polynomial Regression and Neural Networks
Authors: Sylvia Klosin, Jaume Vives-i-Bastida
Date: 2022-05-17 00:00:00
Tasks: Crop Classification, regression

Series and polynomial regression are able to approximate the same function classes as neural networks. However, these methods are rarely used in practice, although they offer more interpretability than neural networks. In this paper, we show that a potential reason for this is the slow convergence rate of polynomial regression estimators and propose the use of \textit{bagged} polynomial regression (BPR) as an attractive alternative to neural networks. Theoretically, we derive new finite sample and asymptotic $L^2$ convergence rates for series estimators. We show that the rates can be improved in smooth settings by splitting the feature space and generating polynomial features separately for each partition. Empirically, we show that our proposed estimator, the BPR, can perform as well as more complex models with more parameters. Our estimator also performs close to state-of-the-art prediction methods in the benchmark MNIST handwritten digit dataset. We demonstrate that BPR performs as well as neural networks in crop classification using satellite data, a setting where prediction accuracy is critical and interpretability is often required for addressing research questions.
All-Photonic Artificial Neural Network Processor Via Non-linear Optics
Authors: Jasvith Raj Basani, Mikkel Heuck, Dirk R. Englund, Stefan Krastanov
Date: 2022-05-17 00:00:00
Tasks: All, image-classification, Image Classification

Optics and photonics has recently captured interest as a platform to accelerate linear matrix processing, that has been deemed as a bottleneck in traditional digital electronic architectures. In this paper, we propose an all-photonic artificial neural network processor wherein information is encoded in the amplitudes of frequency modes that act as neurons. The weights among connected layers are encoded in the amplitude of controlled frequency modes that act as pumps. Interaction among these modes for information processing is enabled by non-linear optical processes. Both the matrix multiplication and element-wise activation functions are performed through coherent processes, enabling the direct representation of negative and complex numbers without the use of detectors or digital electronics. Via numerical simulations, we show that our design achieves a performance commensurate with present-day state-of-the-art computational networks on image-classification benchmarks. Our architecture is unique in providing a completely unitary, reversible mode of computation. Additionally, the computational speed increases with the power of the pumps to arbitrarily high rates, as long as the circuitry can sustain the higher optical power.