pwc-archive/papers-with-abstracts huggingface dataset:
DiME: Maximizing Mutual Information by a Difference of Matrix-Based Entropies
Authors: Oscar Skean, Jhoan Keider Hoyos Osorio, Austin J. Brockmeier, Luis Gonzalo Sanchez Giraldo
Date: 2023-01-19 00:00:00
Tasks: Disentanglement, Mutual Information Estimation, Representation Learning

We introduce an information-theoretic quantity with similar properties to mutual information that can be estimated from data without making explicit assumptions on the underlying distribution. This quantity is based on a recently proposed matrix-based entropy that uses the eigenvalues of a normalized Gram matrix to compute an estimate of the eigenvalues of an uncentered covariance operator in a reproducing kernel Hilbert space. We show that a difference of matrix-based entropies (DiME) is well suited for problems involving the maximization of mutual information between random variables. While many methods for such tasks can lead to trivial solutions, DiME naturally penalizes such outcomes. We compare DiME to several baseline estimators of mutual information on a toy Gaussian dataset. We provide examples of use cases for DiME, such as latent factor disentanglement and a multiview representation learning problem where DiME is used to learn a shared representation among views with high mutual information.
Global mapping of fragmented rocks on the Moon with a neural network: Implications for the failure mode of rocks on airless surfaces
Authors: O. Ruesch, V. T. Bickel
Date: 2023-01-19 00:00:00
Tasks: Diagnostic

It has been recently recognized that the surface of sub-km asteroids in contact with the space environment is not fine-grained regolith but consists of centimeter to meter-scale rocks. Here we aim to understand how the rocky morphology of minor bodies react to the well known space erosion agents on the Moon. We deploy a neural network and map a total of ~130,000 fragmented boulders scattered across the lunar surface and visually identify a dozen different desintegration morphologies corresponding to different failure modes. We find that several fragmented boulder morphologies are equivalent to morphologies observed on asteroid Bennu, suggesting that these morphologies on the Moon and on asteroids are likely not diagnostic of their formation mechanism. Our findings suggest that the boulder fragmentation process is characterized by an internal weakening period with limited morphological signs of damage at rock scale until a sudden highly efficient impact shattering event occurs. In addition, we identify new morphologies such as breccia boulders with an advection-like erosion style. We publicly release the produced fractured boulder catalog along with this paper.
Convergence beyond the over-parameterized regime using Rayleigh quotients
Authors: David A. R. Robin, Kevin Scaman, Marc Lelarge
Date: 2023-01-19 00:00:00

In this paper, we present a new strategy to prove the convergence of deep learning architectures to a zero training (or even testing) loss by gradient flow. Our analysis is centered on the notion of Rayleigh quotients in order to prove Kurdyka-{\L}ojasiewicz inequalities for a broader set of neural network architectures and loss functions. We show that Rayleigh quotients provide a unified view for several convergence analysis techniques in the literature. Our strategy produces a proof of convergence for various examples of parametric learning. In particular, our analysis does not require the number of parameters to tend to infinity, nor the number of samples to be finite, thus extending to test loss minimization and beyond the over-parameterized regime.
Enhancing Deep Learning with Scenario-Based Override Rules: a Case Study
Authors: Adiel Ashrov, Guy Katz
Date: 2023-01-19 00:00:00

Deep neural networks (DNNs) have become a crucial instrument in the software development toolkit, due to their ability to efficiently solve complex problems. Nevertheless, DNNs are highly opaque, and can behave in an unexpected manner when they encounter unfamiliar input. One promising approach for addressing this challenge is by extending DNN-based systems with hand-crafted override rules, which override the DNN's output when certain conditions are met. Here, we advocate crafting such override rules using the well-studied scenario-based modeling paradigm, which produces rules that are simple, extensible, and powerful enough to ensure the safety of the DNN, while also rendering the system more translucent. We report on two extensive case studies, which demonstrate the feasibility of the approach; and through them, propose an extension to scenario-based modeling, which facilitates its integration with DNN components. We regard this work as a step towards creating safer and more reliable DNN-based systems and models.
Geometric path augmentation for inference of sparsely observed stochastic nonlinear systems
Authors: Dimitra Maoutsa
Date: 2023-01-19 00:00:00

Stochastic evolution equations describing the dynamics of systems under the influence of both deterministic and stochastic forces are prevalent in all fields of science. Yet, identifying these systems from sparse-in-time observations remains still a challenging endeavour. Existing approaches focus either on the temporal structure of the observations by relying on conditional expectations, discarding thereby information ingrained in the geometry of the system's invariant density; or employ geometric approximations of the invariant density, which are nevertheless restricted to systems with conservative forces. Here we propose a method that reconciles these two paradigms. We introduce a new data-driven path augmentation scheme that takes the local observation geometry into account. By employing non-parametric inference on the augmented paths, we can efficiently identify the deterministic driving forces of the underlying system for systems observed at low sampling rates.
Shapley Values with Uncertain Value Functions
Authors: Raoul Heese, Sascha Mücke, Matthias Jakobs, Thore Gerlach, Nico Piatkowski
Date: 2023-01-19 00:00:00

We propose a novel definition of Shapley values with uncertain value functions based on first principles using probability theory. Such uncertain value functions can arise in the context of explainable machine learning as a result of non-deterministic algorithms. We show that random effects can in fact be absorbed into a Shapley value with a noiseless but shifted value function. Hence, Shapley values with uncertain value functions can be used in analogy to regular Shapley values. However, their reliable evaluation typically requires more computational effort.
On backpropagating Hessians through ODEs
Authors: Axel Ciceri, Thomas Fischbacher
Date: 2023-01-19 00:00:00
Tasks: Second-order methods

We discuss the problem of numerically backpropagating Hessians through ordinary differential equations (ODEs) in various contexts and elucidate how different approaches may be favourable in specific situations. We discuss both theoretical and pragmatic aspects such as, respectively, bounds on computational effort and typical impact of framework overhead. Focusing on the approach of hand-implemented ODE-backpropagation, we develop the computation for the Hessian of orbit-nonclosure for a mechanical system. We also clarify the mathematical framework for extending the backward-ODE-evolution of the costate-equation to Hessians, in its most generic form. Some calculations, such as that of the Hessian for orbit non-closure, are performed in a language, defined in terms of a formal grammar, that we introduce to facilitate the tracking of intermediate quantities. As pedagogical examples, we discuss the Hessian of orbit-nonclosure for the higher dimensional harmonic oscillator and conceptually related problems in Newtonian gravitational theory. In particular, applying our approach to the figure-8 three-body orbit, we readily rediscover a distorted-figure-8 solution originally described by Sim\'o. Possible applications may include: improvements to training of `neural ODE'- type deep learning with second-order methods, numerical analysis of quantum corrections around classical paths, and, more broadly, studying options for adjusting an ODE's initial configuration such that the impact on some given objective function is small.
Kinetic Langevin MCMC Sampling Without Gradient Lipschitz Continuity -- the Strongly Convex Case
Authors: Tim Johnston, Iosif Lytras, Sotirios Sabanis
Date: 2023-01-19 00:00:00

In this article we consider sampling from log concave distributions in Hamiltonian setting, without assuming that the objective gradient is globally Lipschitz. We propose two algorithms based on monotone polygonal (tamed) Euler schemes, to sample from a target measure, and provide non-asymptotic 2-Wasserstein distance bounds between the law of the process of each algorithm and the target measure. Finally, we apply these results to bound the excess risk optimization error of the associated optimization problem.
A Survey of Meta-Reinforcement Learning
Authors: Jacob Beck, Risto Vuorio, Evan Zheran Liu, Zheng Xiong, Luisa Zintgraf, Chelsea Finn, Shimon Whiteson
Date: 2023-01-19 00:00:00
Tasks: Deep Reinforcement Learning, Meta Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Survey

While deep reinforcement learning (RL) has fueled multiple high-profile successes in machine learning, it is held back from more widespread adoption by its often poor data efficiency and the limited generality of the policies it produces. A promising approach for alleviating these limitations is to cast the development of better RL algorithms as a machine learning problem itself in a process called meta-RL. Meta-RL is most commonly studied in a problem setting where, given a distribution of tasks, the goal is to learn a policy that is capable of adapting to any new task from the task distribution with as little data as possible. In this survey, we describe the meta-RL problem setting in detail as well as its major variations. We discuss how, at a high level, meta-RL research can be clustered based on the presence of a task distribution and the learning budget available for each individual task. Using these clusters, we then survey meta-RL algorithms and applications. We conclude by presenting the open problems on the path to making meta-RL part of the standard toolbox for a deep RL practitioner.
Identification, explanation and clinical evaluation of hospital patient subtypes
Authors: Enrico Werner, Jeffrey N. Clark, Ranjeet S. Bhamber, Michael Ambler, Christopher P. Bourdeaux, Alexander Hepburn, Christopher J. McWilliams, Raul Santos-Rodriguez
Date: 2023-01-19 00:00:00
Tasks: Clinical Knowledge

We present a pipeline in which unsupervised machine learning techniques are used to automatically identify subtypes of hospital patients admitted between 2017 and 2021 in a large UK teaching hospital. With the use of state-of-the-art explainability techniques, the identified subtypes are interpreted and assigned clinical meaning. In parallel, clinicians assessed intra-cluster similarities and inter-cluster differences of the identified patient subtypes within the context of their clinical knowledge. By confronting the outputs of both automatic and clinician-based explanations, we aim to highlight the mutual benefit of combining machine learning techniques with clinical expertise.
Global Nash Equilibrium in Non-convex Multi-player Game: Theory and Algorithms
Authors: Guanpu Chen, Gehui Xu, Fengxiang He, Yiguang Hong, Leszek Rutkowski, DaCheng Tao
Date: 2023-01-19 00:00:00

Wide machine learning tasks can be formulated as non-convex multi-player games, where Nash equilibrium (NE) is an acceptable solution to all players, since no one can benefit from changing its strategy unilaterally. Attributed to the non-convexity, obtaining the existence condition of global NE is challenging, let alone designing theoretically guaranteed realization algorithms. This paper takes conjugate transformation to the formulation of non-convex multi-player games, and casts the complementary problem into a variational inequality (VI) problem with a continuous pseudo-gradient mapping. We then prove the existence condition of global NE: the solution to the VI problem satisfies a duality relation. Based on this VI formulation, we design a conjugate-based ordinary differential equation (ODE) to approach global NE, which is proved to have an exponential convergence rate. To make the dynamics more implementable, we further derive a discretized algorithm. We apply our algorithm to two typical scenarios: multi-player generalized monotone game and multi-player potential game. In the two settings, we prove that the step-size setting is required to be $\mathcal{O}(1/k)$ and $\mathcal{O}(1/\sqrt k)$ to yield the convergence rates of $\mathcal{O}(1/ k)$ and $\mathcal{O}(1/\sqrt k)$, respectively. Extensive experiments in robust neural network training and sensor localization are in full agreement with our theory.
Improving Machine Translation with Phrase Pair Injection and Corpus Filtering
Authors: Akshay Batheja, Pushpak Bhattacharyya
Date: 2023-01-19 00:00:00
Tasks: Machine Translation, NMT, Translation

In this paper, we show that the combination of Phrase Pair Injection and Corpus Filtering boosts the performance of Neural Machine Translation (NMT) systems. We extract parallel phrases and sentences from the pseudo-parallel corpus and augment it with the parallel corpus to train the NMT models. With the proposed approach, we observe an improvement in the Machine Translation (MT) system for 3 low-resource language pairs, Hindi-Marathi, English-Marathi, and English-Pashto, and 6 translation directions by up to 2.7 BLEU points, on the FLORES test data. These BLEU score improvements are over the models trained using the whole pseudo-parallel corpus augmented with the parallel corpus.
Continuously Reliable Detection of New-Normal Misinformation: Semantic Masking and Contrastive Smoothing in High-Density Latent Regions
Authors: Abhijit Suprem, Joao Eduardo Ferreira, Calton Pu
Date: 2023-01-19 00:00:00
Tasks: Misinformation

Toxic misinformation campaigns have caused significant societal harm, e.g., affecting elections and COVID-19 information awareness. Unfortunately, despite successes of (gold standard) retrospective studies of misinformation that confirmed their harmful effects after the fact, they arrive too late for timely intervention and reduction of such harm. By design, misinformation evades retrospective classifiers by exploiting two properties we call new-normal: (1) never-seen-before novelty that cause inescapable generalization challenges for previous classifiers, and (2) massive but short campaigns that end before they can be manually annotated for new classifier training. To tackle these challenges, we propose UFIT, which combines two techniques: semantic masking of strong signal keywords to reduce overfitting, and intra-proxy smoothness regularization of high-density regions in the latent space to improve reliability and maintain accuracy. Evaluation of UFIT on public new-normal misinformation data shows over 30% improvement over existing approaches on future (and unseen) campaigns. To the best of our knowledge, UFIT is the first successful effort to achieve such high level of generalization on new-normal misinformation data with minimal concession (1 to 5%) of accuracy compared to oracles trained with full knowledge of all campaigns.
SpotHitPy: A Study For ML-Based Song Hit Prediction Using Spotify
Authors: Ioannis Dimolitsas, Spyridon Kantarelis, Afroditi Fouka
Date: 2023-01-19 00:00:00

In this study, we approached the Hit Song Prediction problem, which aims to predict which songs will become Billboard hits. We gathered a dataset of nearly 18500 hit and non-hit songs and extracted their audio features using the Spotify Web API. We test four machine-learning models on our dataset. We were able to predict the Billboard success of a song with approximately 86\% accuracy. The most succesful algorithms were Random Forest and Support Vector Machine.
Getting Away with More Network Pruning: From Sparsity to Geometry and Linear Regions
Authors: Junyang Cai, Khai-Nguyen Nguyen, Nishant Shrestha, Aidan Good, Ruisen Tu, Xin Yu, Shandian Zhe, Thiago Serra
Date: 2023-01-19 00:00:00
Tasks: Network Pruning

One surprising trait of neural networks is the extent to which their connections can be pruned with little to no effect on accuracy. But when we cross a critical level of parameter sparsity, pruning any further leads to a sudden drop in accuracy. This drop plausibly reflects a loss in model complexity, which we aim to avoid. In this work, we explore how sparsity also affects the geometry of the linear regions defined by a neural network, and consequently reduces the expected maximum number of linear regions based on the architecture. We observe that pruning affects accuracy similarly to how sparsity affects the number of linear regions and our proposed bound for the maximum number. Conversely, we find out that selecting the sparsity across layers to maximize our bound very often improves accuracy in comparison to pruning as much with the same sparsity in all layers, thereby providing us guidance on where to prune.
Job recommendations: benchmarking of collaborative filtering methods for classifieds
Authors: Robert Kwieciński, Agata Filipowska, Tomasz Górecki, Viacheslav Dubrov
Date: 2023-01-19 00:00:00
Tasks: Benchmarking, Collaborative Filtering

Classifieds provide many challenges for recommendation methods, due to the limited information regarding users and items. In this paper, we explore recommendation methods for classifieds using the example of OLX Jobs. The goal of the paper is to benchmark different recommendation methods for jobs classifieds in order to improve advertisements' conversion rate and user satisfaction. In our research, we implemented methods that are scalable and represent different approaches to recommendation, namely ALS, LightFM, Prod2Vec, RP3beta, and SLIM. We performed a laboratory comparison of methods with regard to accuracy, diversity, and scalability (memory and time consumption during training and in prediction). Online A/B tests were also carried out by sending millions of messages with recommendations to evaluate models in a real-world setting. In addition, we have published the dataset that we created for the needs of our research. To the best of our knowledge, this is the first dataset of this kind. The dataset contains 65,502,201 events performed on OLX Jobs by 3,295,942 users, who interacted with (displayed, replied to, or bookmarked) 185,395 job ads in two weeks of 2020. We demonstrate that RP3beta, SLIM, and ALS perform significantly better than Prod2Vec and LightFM when tested in a laboratory setting. Online A/B tests also demonstrated that sending messages with recommendations generated by the ALS and RP3beta models increases the number of users contacting advertisers. Additionally, RP3beta had a 20% greater impact on this metric than ALS.
PDFormer: Propagation Delay-Aware Dynamic Long-Range Transformer for Traffic Flow Prediction
Authors: Jiawei Jiang, Chengkai Han, Wayne Xin Zhao, Jingyuan Wang
Date: 2023-01-19 00:00:00
Tasks: Computational Efficiency, Graph Neural Network, Prediction, Time Series Analysis, Time Series Prediction, Traffic Prediction

As a core technology of Intelligent Transportation System, traffic flow prediction has a wide range of applications. The fundamental challenge in traffic flow prediction is to effectively model the complex spatial-temporal dependencies in traffic data. Spatial-temporal Graph Neural Network (GNN) models have emerged as one of the most promising methods to solve this problem. However, GNN-based models have three major limitations for traffic prediction: i) Most methods model spatial dependencies in a static manner, which limits the ability to learn dynamic urban traffic patterns; ii) Most methods only consider short-range spatial information and are unable to capture long-range spatial dependencies; iii) These methods ignore the fact that the propagation of traffic conditions between locations has a time delay in traffic systems. To this end, we propose a novel Propagation Delay-aware dynamic long-range transFormer, namely PDFormer, for accurate traffic flow prediction. Specifically, we design a spatial self-attention module to capture the dynamic spatial dependencies. Then, two graph masking matrices are introduced to highlight spatial dependencies from short- and long-range views. Moreover, a traffic delay-aware feature transformation module is proposed to empower PDFormer with the capability of explicitly modeling the time delay of spatial information propagation. Extensive experimental results on six real-world public traffic datasets show that our method can not only achieve state-of-the-art performance but also exhibit competitive computational efficiency. Moreover, we visualize the learned spatial-temporal attention map to make our model highly interpretable.
Hamiltonian Neural Networks with Automatic Symmetry Detection
Authors: Eva Dierkes, Christian Offen, Sina Ober-Blöbaum, Kathrin Flaßkamp
Date: 2023-01-19 00:00:00
Tasks: Symmetry Detection

Recently, Hamiltonian neural networks (HNN) have been introduced to incorporate prior physical knowledge when learning the dynamical equations of Hamiltonian systems. Hereby, the symplectic system structure is preserved despite the data-driven modeling approach. However, preserving symmetries requires additional attention. In this research, we enhance HNN with a Lie algebra framework to detect and embed symmetries in the neural network. This approach allows to simultaneously learn the symmetry group action and the total energy of the system. As illustrating examples, a pendulum on a cart and a two-body problem from astrodynamics are considered.
Interval Reachability of Nonlinear Dynamical Systems with Neural Network Controllers
Authors: Saber Jafarpour, Akash Harapanahalli, Samuel Coogan
Date: 2023-01-19 00:00:00

This paper proposes a computationally efficient framework, based on interval analysis, for rigorous verification of nonlinear continuous-time dynamical systems with neural network controllers. Given a neural network, we use an existing verification algorithm to construct inclusion functions for its input-output behavior. Inspired by mixed monotone theory, we embed the closed-loop dynamics into a larger system using an inclusion function of the neural network and a decomposition function of the open-loop system. This embedding provides a scalable approach for safety analysis of the neural control loop while preserving the nonlinear structure of the system. We show that one can efficiently compute hyper-rectangular over-approximations of the reachable sets using a single trajectory of the embedding system. We design an algorithm to leverage this computational advantage through partitioning strategies, improving our reachable set estimates while balancing its runtime with tunable parameters. We demonstrate the performance of this algorithm through two case studies. First, we demonstrate this method's strength in complex nonlinear environments. Then, we show that our approach matches the performance of the state-of-the art verification algorithm for linear discretized systems.