pwc-archive/papers-with-abstracts huggingface dataset:
Truncated proposals for scalable and hassle-free simulation-based inference
Authors: Michael Deistler, Pedro J Goncalves, Jakob H Macke
Date: 2022-10-10 00:00:00
Tasks: Diagnostic

Simulation-based inference (SBI) solves statistical inverse problems by repeatedly running a stochastic simulator and inferring posterior distributions from model-simulations. To improve simulation efficiency, several inference methods take a sequential approach and iteratively adapt the proposal distributions from which model simulations are generated. However, many of these sequential methods are difficult to use in practice, both because the resulting optimisation problems can be challenging and efficient diagnostic tools are lacking. To overcome these issues, we present Truncated Sequential Neural Posterior Estimation (TSNPE). TSNPE performs sequential inference with truncated proposals, sidestepping the optimisation issues of alternative approaches. In addition, TSNPE allows to efficiently perform coverage tests that can scale to complex models with many parameters. We demonstrate that TSNPE performs on par with previous methods on established benchmark tasks. We then apply TSNPE to two challenging problems from neuroscience and show that TSNPE can successfully obtain the posterior distributions, whereas previous methods fail. Overall, our results demonstrate that TSNPE is an efficient, accurate, and robust inference method that can scale to challenging scientific models.
Towards a Theoretical Foundation of Policy Optimization for Learning Control Policies
Authors: Bin Hu, Kaiqing Zhang, Na Li, Mehran Mesbahi, Maryam Fazel, Tamer Başar
Date: 2022-10-10 00:00:00
Tasks: continuous-control, Continuous Control, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Gradient-based methods have been widely used for system design and optimization in diverse application domains. Recently, there has been a renewed interest in studying theoretical properties of these methods in the context of control and reinforcement learning. This article surveys some of the recent developments on policy optimization, a gradient-based iterative approach for feedback control synthesis, popularized by successes of reinforcement learning. We take an interdisciplinary perspective in our exposition that connects control theory, reinforcement learning, and large-scale optimization. We review a number of recently-developed theoretical results on the optimization landscape, global convergence, and sample complexity of gradient-based methods for various continuous control problems such as the linear quadratic regulator (LQR), $\mathcal{H}_\infty$ control, risk-sensitive control, linear quadratic Gaussian (LQG) control, and output feedback synthesis. In conjunction with these optimization results, we also discuss how direct policy optimization handles stability and robustness concerns in learning-based control, two main desiderata in control engineering. We conclude the survey by pointing out several challenges and opportunities at the intersection of learning and control.
Efficient NTK using Dimensionality Reduction
Authors: Nir Ailon, Supratim Shit
Date: 2022-10-10 00:00:00
Tasks: Dimensionality Reduction

Recently, neural tangent kernel (NTK) has been used to explain the dynamics of learning parameters of neural networks, at the large width limit. Quantitative analyses of NTK give rise to network widths that are often impractical and incur high costs in time and energy in both training and deployment. Using a matrix factorization technique, we show how to obtain similar guarantees to those obtained by a prior analysis while reducing training and inference resource costs. The importance of our result further increases when the input points' data dimension is in the same order as the number of input points. More generally, our work suggests how to analyze large width networks in which dense linear layers are replaced with a low complexity factorization, thus reducing the heavy dependence on the large width.
Hierarchical Learning in Euclidean Neural Networks
Authors: Joshua A. Rackers, Pranav Rao
Date: 2022-10-10 00:00:00

Equivariant machine learning methods have shown wide success at 3D learning applications in recent years. These models explicitly build in the reflection, translation and rotation symmetries of Euclidean space and have facilitated large advances in accuracy and data efficiency for a range of applications in the physical sciences. An outstanding question for equivariant models is why they achieve such larger-than-expected advances in these applications. To probe this question, we examine the role of higher order (non-scalar) features in Euclidean Neural Networks (\texttt{e3nn}). We focus on the previously studied application of \texttt{e3nn} to the problem of electron density prediction, which allows for a variety of non-scalar outputs, and examine whether the nature of the output (scalar $l=0$, vector $l=1$, or higher order $l>1$) is relevant to the effectiveness of non-scalar hidden features in the network. Further, we examine the behavior of non-scalar features throughout training, finding a natural hierarchy of features by $l$, reminiscent of a multipole expansion. We aim for our work to ultimately inform design principles and choices of domain applications for {\tt e3nn} networks.
On the Performance of Gradient Tracking with Local Updates
Authors: Edward Duc Hien Nguyen, Sulaiman A. Alghunaim, Kun Yuan, César A. Uribe
Date: 2022-10-10 00:00:00
Tasks: Federated Learning

We study the decentralized optimization problem where a network of $n$ agents seeks to minimize the average of a set of heterogeneous non-convex cost functions distributedly. State-of-the-art decentralized algorithms like Exact Diffusion~(ED) and Gradient Tracking~(GT) involve communicating every iteration. However, communication is expensive, resource intensive, and slow. In this work, we analyze a locally updated GT method (LU-GT), where agents perform local recursions before interacting with their neighbors. While local updates have been shown to reduce communication overhead in practice, their theoretical influence has not been fully characterized. We show LU-GT has the same communication complexity as the Federated Learning setting but allows arbitrary network topologies. In addition, we prove that the number of local updates does not degrade the quality of the solution achieved by LU-GT. Numerical examples reveal that local updates can lower communication costs in certain regimes (e.g., well-connected graphs).
PyHopper -- Hyperparameter optimization
Authors: Mathias Lechner, Ramin Hasani, Philipp Neubauer, Sophie Neubauer, Daniela Rus
Date: 2022-10-10 00:00:00
Tasks: Hyperparameter Optimization

Hyperparameter tuning is a fundamental aspect of machine learning research. Setting up the infrastructure for systematic optimization of hyperparameters can take a significant amount of time. Here, we present PyHopper, a black-box optimization platform designed to streamline the hyperparameter tuning workflow of machine learning researchers. PyHopper's goal is to integrate with existing code with minimal effort and run the optimization process with minimal necessary manual oversight. With simplicity as the primary theme, PyHopper is powered by a single robust Markov-chain Monte-Carlo optimization algorithm that scales to millions of dimensions. Compared to existing tuning packages, focusing on a single algorithm frees the user from having to decide between several algorithms and makes PyHopper easily customizable. PyHopper is publicly available under the Apache-2.0 license at https://github.com/PyHopper/PyHopper.
Uncertainty Quantification with Pre-trained Language Models: A Large-Scale Empirical Analysis
Authors: Yuxin Xiao, Paul Pu Liang, Umang Bhatt, Willie Neiswanger, Ruslan Salakhutdinov, Louis-Philippe Morency
Date: 2022-10-10 00:00:00
Tasks: Prediction, Uncertainty Quantification

Pre-trained language models (PLMs) have gained increasing popularity due to their compelling prediction performance in diverse natural language processing (NLP) tasks. When formulating a PLM-based prediction pipeline for NLP tasks, it is also crucial for the pipeline to minimize the calibration error, especially in safety-critical applications. That is, the pipeline should reliably indicate when we can trust its predictions. In particular, there are various considerations behind the pipeline: (1) the choice and (2) the size of PLM, (3) the choice of uncertainty quantifier, (4) the choice of fine-tuning loss, and many more. Although prior work has looked into some of these considerations, they usually draw conclusions based on a limited scope of empirical studies. There still lacks a holistic analysis on how to compose a well-calibrated PLM-based prediction pipeline. To fill this void, we compare a wide range of popular options for each consideration based on three prevalent NLP classification tasks and the setting of domain shift. In response, we recommend the following: (1) use ELECTRA for PLM encoding, (2) use larger PLMs if possible, (3) use Temp Scaling as the uncertainty quantifier, and (4) use Focal Loss for fine-tuning.
FedBA: Non-IID Federated Learning Framework in UAV Networks
Authors: Pei Li, Zhijun Liu, Luyi Chang, Jialiang Peng, Yi Wu
Date: 2022-10-10 00:00:00
Tasks: Federated Learning

With the development and progress of science and technology, the Internet of Things(IoT) has gradually entered people's lives, bringing great convenience to our lives and improving people's work efficiency. Specifically, the IoT can replace humans in jobs that they cannot perform. As a new type of IoT vehicle, the current status and trend of research on Unmanned Aerial Vehicle(UAV) is gratifying, and the development prospect is very promising. However, privacy and communication are still very serious issues in drone applications. This is because most drones still use centralized cloud-based data processing, which may lead to leakage of data collected by drones. At the same time, the large amount of data collected by drones may incur greater communication overhead when transferred to the cloud. Federated learning as a means of privacy protection can effectively solve the above two problems. However, federated learning when applied to UAV networks also needs to consider the heterogeneity of data, which is caused by regional differences in UAV regulation. In response, this paper proposes a new algorithm FedBA to optimize the global model and solves the data heterogeneity problem. In addition, we apply the algorithm to some real datasets, and the experimental results show that the algorithm outperforms other algorithms and improves the accuracy of the local model for UAVs.
Rejecting noise in Baikal-GVD data with neural networks
Authors: I. Kharuk, G. Rubtsov, G. Safronov
Date: 2022-10-10 00:00:00

Baikal-GVD is a large ($\sim$1 km$^3$) underwater neutrino telescope installed in the fresh waters of Lake Baikal. The deep lake water environment is pervaded by background light, which is detectable by Baikal-GVD's photosensors. We introduce a neural network for an efficient separation of these noise hits from the signal ones, stemming from the propagation of relativistic particles through the detector. The model has a U-net-like architecture and employs temporal (causal) structure of events. The neural network's metrics reach up to 99\% signal purity (precision) and 96\% survival efficiency (recall) on Monte-Carlo simulated dataset. We compare the developed method with the algorithmic approach to rejecting the noise and discuss other possible architectures of neural networks, including graph-based ones.
FaDIn: Fast Discretized Inference for Hawkes Processes with General Parametric Kernels
Authors: Guillaume Staerman, Cédric Allain, Alexandre Gramfort, Thomas Moreau
Date: 2022-10-10 00:00:00
Tasks: Computational Efficiency, Point Processes

Temporal point processes (TPP) are a natural tool for modeling event-based data. Among all TPP models, Hawkes processes have proven to be the most widely used, mainly due to their adequate modeling for various applications, particularly when considering exponential or non-parametric kernels. Although non-parametric kernels are an option, such models require large datasets. While exponential kernels are more data efficient and relevant for specific applications where events immediately trigger more events, they are ill-suited for applications where latencies need to be estimated, such as in neuroscience. This work aims to offer an efficient solution to TPP inference using general parametric kernels with finite support. The developed solution consists of a fast $\ell_2$ gradient-based solver leveraging a discretized version of the events. After theoretically supporting the use of discretization, the statistical and computational efficiency of the novel approach is demonstrated through various numerical experiments. Finally, the method's effectiveness is evaluated by modeling the occurrence of stimuli-induced patterns from brain signals recorded with magnetoencephalography (MEG). Given the use of general parametric kernels, results show that the proposed approach leads to an improved estimation of pattern latency than the state-of-the-art.
Investigation of inverse design of multilayer thin-films with conditional invertible Neural Networks
Authors: Alexander Luce, Ali Mahdavi, Heribert Wankerl, Florian Marquardt
Date: 2022-10-10 00:00:00

The task of designing optical multilayer thin-films regarding a given target is currently solved using gradient-based optimization in conjunction with methods that can introduce additional thin-film layers. Recently, Deep Learning and Reinforcement Learning have been been introduced to the task of designing thin-films with great success, however a trained network is usually only able to become proficient for a single target and must be retrained if the optical targets are varied. In this work, we apply conditional Invertible Neural Networks (cINN) to inversely designing multilayer thin-films given an optical target. Since the cINN learns the energy landscape of all thin-film configurations within the training dataset, we show that cINNs can generate a stochastic ensemble of proposals for thin-film configurations that that are reasonably close to the desired target depending only on random variables. By refining the proposed configurations further by a local optimization, we show that the generated thin-films reach the target with significantly greater precision than comparable state-of-the art approaches. Furthermore, we tested the generative capabilities on samples which are outside the training data distribution and found that the cINN was able to predict thin-films for out-of-distribution targets, too. The results suggest that in order to improve the generative design of thin-films, it is instructive to use established and new machine learning methods in conjunction in order to obtain the most favorable results.
ParaDime: A Framework for Parametric Dimensionality Reduction
Authors: Andreas Hinterreiter, Christina Humer, Bernhard Kainz, Marc Streit
Date: 2022-10-10 00:00:00
Tasks: Dimensionality Reduction

ParaDime is a framework for parametric dimensionality reduction (DR). In parametric DR, neural networks are trained to embed high-dimensional data items in a low-dimensional space while minimizing an objective function. ParaDime builds on the idea that the objective functions of several modern DR techniques result from transformed inter-item relationships. It provides a common interface for specifying these relations and transformations and for defining how they are used within the losses that govern the training process. Through this interface, ParaDime unifies parametric versions of DR techniques such as metric MDS, t-SNE, and UMAP. It allows users to fully customize all aspects of the DR process. We show how this ease of customization makes ParaDime suitable for experimenting with interesting techniques such as hybrid classification/embedding models and supervised DR. This way, ParaDime opens up new possibilities for visualizing high-dimensional data.
HumSet: Dataset of Multilingual Information Extraction and Classification for Humanitarian Crisis Response
Authors: Selim Fekih, Nicolò Tamagnone, Benjamin Minixhofer, Ranjan Shrestha, Ximena Contla, Ewan Oglethorpe, Navid Rekabsaz
Date: 2022-10-10 00:00:00
Tasks: Humanitarian, Multilabel Text Classification, Multilingual NLP, text annotation

Timely and effective response to humanitarian crises requires quick and accurate analysis of large amounts of text data - a process that can highly benefit from expert-assisted NLP systems trained on validated and annotated data in the humanitarian response domain. To enable creation of such NLP systems, we introduce and release HumSet, a novel and rich multilingual dataset of humanitarian response documents annotated by experts in the humanitarian response community. The dataset provides documents in three languages (English, French, Spanish) and covers a variety of humanitarian crises from 2018 to 2021 across the globe. For each document, HUMSET provides selected snippets (entries) as well as assigned classes to each entry annotated using common humanitarian information analysis frameworks. HUMSET also provides novel and challenging entry extraction and multi-label entry classification tasks. In this paper, we take a first step towards approaching these tasks and conduct a set of experiments on Pre-trained Language Models (PLM) to establish strong baselines for future research in this domain. The dataset is available at https://blog.thedeep.io/humset/.
Everything is Varied: The Surprising Impact of Individual Variation on ML Robustness in Medicine
Authors: Andrea Campagner, Lorenzo Famiglini, Anna Carobene, Federico Cabitza
Date: 2022-10-10 00:00:00
Tasks: COVID-19 Diagnosis, Data Augmentation

In medical settings, Individual Variation (IV) refers to variation that is due not to population differences or errors, but rather to within-subject variation, that is the intrinsic and characteristic patterns of variation pertaining to a given instance or the measurement process. While taking into account IV has been deemed critical for proper analysis of medical data, this source of uncertainty and its impact on robustness have so far been neglected in Machine Learning (ML). To fill this gap, we look at how IV affects ML performance and generalization and how its impact can be mitigated. Specifically, we provide a methodological contribution to formalize the problem of IV in the statistical learning framework and, through an experiment based on one of the largest real-world laboratory medicine datasets for the problem of COVID-19 diagnosis, we show that: 1) common state-of-the-art ML models are severely impacted by the presence of IV in data; and 2) advanced learning strategies, based on data augmentation and data imprecisiation, and proper study designs can be effective at improving robustness to IV. Our findings demonstrate the critical relevance of correctly accounting for IV to enable safe deployment of ML in clinical settings.
DALE: Differential Accumulated Local Effects for efficient and accurate global explanations
Authors: Vasilis Gkolemis, Theodore Dalamagas, Christos Diou
Date: 2022-10-10 00:00:00

Accumulated Local Effect (ALE) is a method for accurately estimating feature effects, overcoming fundamental failure modes of previously-existed methods, such as Partial Dependence Plots. However, ALE's approximation, i.e. the method for estimating ALE from the limited samples of the training set, faces two weaknesses. First, it does not scale well in cases where the input has high dimensionality, and, second, it is vulnerable to out-of-distribution (OOD) sampling when the training set is relatively small. In this paper, we propose a novel ALE approximation, called Differential Accumulated Local Effects (DALE), which can be used in cases where the ML model is differentiable and an auto-differentiable framework is accessible. Our proposal has significant computational advantages, making feature effect estimation applicable to high-dimensional Machine Learning scenarios with near-zero computational overhead. Furthermore, DALE does not create artificial points for calculating the feature effect, resolving misleading estimations due to OOD sampling. Finally, we formally prove that, under some hypotheses, DALE is an unbiased estimator of ALE and we present a method for quantifying the standard error of the explanation. Experiments using both synthetic and real datasets demonstrate the value of the proposed approach.
A policy gradient approach for Finite Horizon Constrained Markov Decision Processes
Authors: Soumyajit Guin, Shalabh Bhatnagar
Date: 2022-10-10 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

The infinite horizon setting is widely adopted for problems of reinforcement learning (RL). These invariably result in stationary policies that are optimal. In many situations, finite horizon control problems are of interest and for such problems, the optimal policies are time-varying in general. Another setting that has become popular in recent times is of Constrained Reinforcement Learning, where the agent maximizes its rewards while it also aims to satisfy some given constraint criteria. However, this setting has only been studied in the context of infinite horizon MDPs where stationary policies are optimal. We present an algorithm for constrained RL in the Finite Horizon Setting where the horizon terminates after a fixed (finite) time. We use function approximation in our algorithm which is essential when the state and action spaces are large or continuous and use the policy gradient method to find the optimal policy. The optimal policy that we obtain depends on the stage and so is non-stationary in general. To the best of our knowledge, our paper presents the first policy gradient algorithm for the finite horizon setting with constraints. We show the convergence of our algorithm to a constrained optimal policy. We also compare and analyze the performance of our algorithm through experiments and show that our algorithm performs better than some other well known algorithms.
Continual task learning in natural and artificial agents
Authors: Timo Flesch, Andrew Saxe, Christopher Summerfield
Date: 2022-10-10 00:00:00

How do humans and other animals learn new tasks? A wave of brain recording studies has investigated how neural representations change during task learning, with a focus on how tasks can be acquired and coded in ways that minimise mutual interference. We review recent work that has explored the geometry and dimensionality of neural task representations in neocortex, and computational models that have exploited these findings to understand how the brain may partition knowledge between tasks. We discuss how ideas from machine learning, including those that combine supervised and unsupervised learning, are helping neuroscientists understand how natural tasks are learned and coded in biological brains.