pwc-archive/papers-with-abstracts huggingface dataset:
Automatic Registration and Clustering of Time Series
Authors: Michael Weylandt, George Michailidis
Date: 2020-12-08 00:00:00
Tasks: Clustering, Time Series, Time Series Alignment, Time Series Analysis

Clustering of time series data exhibits a number of challenges not present in other settings, notably the problem of registration (alignment) of observed signals. Typical approaches include pre-registration to a user-specified template or time warping approaches which attempt to optimally align series with a minimum of distortion. For many signals obtained from recording or sensing devices, these methods may be unsuitable as a template signal is not available for pre-registration, while the distortion of warping approaches may obscure meaningful temporal information. We propose a new method for automatic time series alignment within a clustering problem. Our approach, Temporal Registration using Optimal Unitary Transformations (TROUT), is based on a novel dissimilarity measure between time series that is easy to compute and automatically identifies optimal alignment between pairs of time series. By embedding our new measure in a optimization formulation, we retain well-known advantages of computational and statistical performance. We provide an efficient algorithm for TROUT-based clustering and demonstrate its superior performance over a range of competitors.
Simultaneous Grouping and Denoising via Sparse Convex Wavelet Clustering
Authors: Michael Weylandt, T. Mitchell Roddenberry, Genevera I. Allen
Date: 2020-12-08 00:00:00
Tasks: Clustering, Data Compression, Denoising

Clustering is a ubiquitous problem in data science and signal processing. In many applications where we observe noisy signals, it is common practice to first denoise the data, perhaps using wavelet denoising, and then to apply a clustering algorithm. In this paper, we develop a sparse convex wavelet clustering approach that simultaneously denoises and discovers groups. Our approach utilizes convex fusion penalties to achieve agglomeration and group-sparse penalties to denoise through sparsity in the wavelet domain. In contrast to common practice which denoises then clusters, our method is a unified, convex approach that performs both simultaneously. Our method yields denoised (wavelet-sparse) cluster centroids that both improve interpretability and data compression. We demonstrate our method on synthetic examples and in an application to NMR spectroscopy.
Disentangling Derivatives, Uncertainty and Error in Gaussian Process Models
Authors: Juan Emmanuel Johnson, Valero Laparra, Gustau Camps-Valls
Date: 2020-12-09 00:00:00
Tasks: Earth Observation, Gaussian Processes, Retrieval

Gaussian Processes (GPs) are a class of kernel methods that have shown to be very useful in geoscience applications. They are widely used because they are simple, flexible and provide very accurate estimates for nonlinear problems, especially in parameter retrieval. An addition to a predictive mean function, GPs come equipped with a useful property: the predictive variance function which provides confidence intervals for the predictions. The GP formulation usually assumes that there is no input noise in the training and testing points, only in the observations. However, this is often not the case in Earth observation problems where an accurate assessment of the instrument error is usually available. In this paper, we showcase how the derivative of a GP model can be used to provide an analytical error propagation formulation and we analyze the predictive variance and the propagated error terms in a temperature prediction problem from infrared sounding data.
Variational System Identification for Nonlinear State-Space Models
Authors: Jarrad Courts, Adrian Wills, Thomas Schön, Brett Ninness
Date: 2020-12-08 00:00:00
Tasks: parameter estimation, State Space Models, Variational Inference

This paper considers parameter estimation for nonlinear state-space models, which is an important but challenging problem. We address this challenge by employing a variational inference (VI) approach, which is a principled method that has deep connections to maximum likelihood estimation. This VI approach ultimately provides estimates of the model as solutions to an optimisation problem, which is deterministic, tractable and can be solved using standard optimisation tools. A specialisation of this approach for systems with additive Gaussian noise is also detailed. The proposed method is examined numerically on a range of simulated and real examples focusing on the robustness to parameter initialisation; additionally, favourable comparisons are performed against state-of-the-art alternatives.
Machine-Learning Arithmetic Curves
Authors: Yang-Hui He, Kyu-Hwan Lee, Thomas Oliver
Date: 2020-12-07 00:00:00
Tasks: BIG-bench Machine Learning

We show that standard machine-learning algorithms may be trained to predict certain invariants of low genus arithmetic curves. Using datasets of size around one hundred thousand, we demonstrate the utility of machine-learning in classification problems pertaining to the BSD invariants of an elliptic curve (including its rank and torsion subgroup), and the analogous invariants of a genus 2 curve. Our results show that a trained machine can efficiently classify curves according to these invariants with high accuracies (>0.97). For problems such as distinguishing between torsion orders, and the recognition of integral points, the accuracies can reach 0.998.
Robustness of Model Predictions under Extension
Authors: Tineke Blom, Joris M. Mooij
Date: 2020-12-08 00:00:00
Tasks: model

Mathematical models of the real world are simplified representations of complex systems. A caveat to using mathematical models is that predicted causal effects and conditional independences may not be robust under model extensions, limiting applicability of such models. In this work, we consider conditions under which qualitative model predictions are preserved when two models are combined. Under mild assumptions, we show how to use the technique of causal ordering to efficiently assess the robustness of qualitative model predictions. We also characterize a large class of model extensions that preserve qualitative model predictions. For dynamical systems at equilibrium, we demonstrate how novel insights help to select appropriate model extensions and to reason about the presence of feedback loops. We illustrate our ideas with a viral infection model with immune responses.
Neural Mechanics: Symmetry and Broken Conservation Laws in Deep Learning Dynamics
Authors: Daniel Kunin, Javier Sagastuy-Brena, Surya Ganguli, Daniel L. K. Yamins, Hidenori Tanaka
Date: 2020-12-08 00:00:00

Understanding the dynamics of neural network parameters during training is one of the key challenges in building a theoretical foundation for deep learning. A central obstacle is that the motion of a network in high-dimensional parameter space undergoes discrete finite steps along complex stochastic gradients derived from real-world datasets. We circumvent this obstacle through a unifying theoretical framework based on intrinsic symmetries embedded in a network's architecture that are present for any dataset. We show that any such symmetry imposes stringent geometric constraints on gradients and Hessians, leading to an associated conservation law in the continuous-time limit of stochastic gradient descent (SGD), akin to Noether's theorem in physics. We further show that finite learning rates used in practice can actually break these symmetry induced conservation laws. We apply tools from finite difference methods to derive modified gradient flow, a differential equation that better approximates the numerical trajectory taken by SGD at finite learning rates. We combine modified gradient flow with our framework of symmetries to derive exact integral expressions for the dynamics of certain parameter combinations. We empirically validate our analytic expressions for learning dynamics on VGG-16 trained on Tiny ImageNet. Overall, by exploiting symmetry, our work demonstrates that we can analytically describe the learning dynamics of various parameter combinations at finite learning rates and batch sizes for state of the art architectures trained on any dataset.
A Statistical Test for Probabilistic Fairness
Authors: Bahar Taskesen, Jose Blanchet, Daniel Kuhn, Viet Anh Nguyen
Date: 2020-12-09 00:00:00
Tasks: BIG-bench Machine Learning, Fairness

Algorithms are now routinely used to make consequential decisions that affect human lives. Examples include college admissions, medical interventions or law enforcement. While algorithms empower us to harness all information hidden in vast amounts of data, they may inadvertently amplify existing biases in the available datasets. This concern has sparked increasing interest in fair machine learning, which aims to quantify and mitigate algorithmic discrimination. Indeed, machine learning models should undergo intensive tests to detect algorithmic biases before being deployed at scale. In this paper, we use ideas from the theory of optimal transport to propose a statistical hypothesis test for detecting unfair classifiers. Leveraging the geometry of the feature space, the test statistic quantifies the distance of the empirical distribution supported on the test samples to the manifold of distributions that render a pre-trained classifier fair. We develop a rigorous hypothesis testing mechanism for assessing the probabilistic fairness of any pre-trained logistic classifier, and we show both theoretically as well as empirically that the proposed test is asymptotically correct. In addition, the proposed framework offers interpretability by identifying the most favorable perturbation of the data so that the given classifier becomes fair.
Semi-Supervised Off Policy Reinforcement Learning
Authors: Aaron Sonabend-W, Nilanjana Laha, Ashwin N. Ananthakrishnan, Tianxi Cai, Rajarshi Mukherjee
Date: 2020-12-09 00:00:00
Tasks: Imputation, Q-Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Reinforcement learning (RL) has shown great success in estimating sequential treatment strategies which take into account patient heterogeneity. However, health-outcome information, which is used as the reward for reinforcement learning methods, is often not well coded but rather embedded in clinical notes. Extracting precise outcome information is a resource intensive task, so most of the available well-annotated cohorts are small. To address this issue, we propose a semi-supervised learning (SSL) approach that efficiently leverages a small sized labeled data with true outcome observed, and a large unlabeled data with outcome surrogates. In particular, we propose a semi-supervised, efficient approach to Q-learning and doubly robust off policy value estimation. Generalizing SSL to sequential treatment regimes brings interesting challenges: 1) Feature distribution for Q-learning is unknown as it includes previous outcomes. 2) The surrogate variables we leverage in the modified SSL framework are predictive of the outcome but not informative to the optimal policy or value function. We provide theoretical results for our Q-function and value function estimators to understand to what degree efficiency can be gained from SSL. Our method is at least as efficient as the supervised approach, and moreover safe as it robust to mis-specification of the imputation models.
Enhanced Recurrent Neural Tangent Kernels for Non-Time-Series Data
Authors: Sina AlEMohammad, Randall Balestriero, Zichao Wang, Richard Baraniuk
Date: 2020-12-09 00:00:00
Tasks: GPU, Time Series, Time Series Analysis

Kernels derived from deep neural networks (DNNs) in the infinite-width regime provide not only high performance in a range of machine learning tasks but also new theoretical insights into DNN training dynamics and generalization. In this paper, we extend the family of kernels associated with recurrent neural networks (RNNs), which were previously derived only for simple RNNs, to more complex architectures including bidirectional RNNs and RNNs with average pooling. We also develop a fast GPU implementation to exploit the full practical potential of the kernels. Though RNNs are typically only applied to time-series data, we demonstrate that classifiers using RNN-based kernels outperform a range of baseline methods on 90 non-time-series datasets from the UCI data repository.
Consistent regression of biophysical parameters with kernel methods
Authors: Emiliano Díaz, Adrián Pérez-Suay, Valero Laparra, Gustau Camps-Valls
Date: 2020-12-09 00:00:00
Tasks: regression

This paper introduces a novel statistical regression framework that allows the incorporation of consistency constraints. A linear and nonlinear (kernel-based) formulation are introduced, and both imply closed-form analytical solutions. The models exploit all the information from a set of drivers while being maximally independent of a set of auxiliary, protected variables. We successfully illustrate the performance in the estimation of chlorophyll content.
Optimal distributed composite testing in high-dimensional Gaussian models with 1-bit communication
Authors: Botond Szabo, Lasse Vuursteen, Harry van Zanten
Date: 2020-12-09 00:00:00

In this paper we study the problem of signal detection in Gaussian noise in a distributed setting where the local machines in the star topology can communicate a single bit of information. We derive a lower bound on the Euclidian norm that the signal needs to have in order to be detectable. Moreover, we exhibit optimal distributed testing strategies that attain the lower bound.
Inference of Stochastic Dynamical Systems from Cross-Sectional Population Data
Authors: Anastasios Tsourtis, Yannis Pantazis, Ioannis Tsamardinos
Date: 2020-12-09 00:00:00
Tasks: Epidemiology

Inferring the driving equations of a dynamical system from population or time-course data is important in several scientific fields such as biochemistry, epidemiology, financial mathematics and many others. Despite the existence of algorithms that learn the dynamics from trajectorial measurements there are few attempts to infer the dynamical system straight from population data. In this work, we deduce and then computationally estimate the Fokker-Planck equation which describes the evolution of the population's probability density, based on stochastic differential equations. Then, following the USDL approach, we project the Fokker-Planck equation to a proper set of test functions, transforming it into a linear system of equations. Finally, we apply sparse inference methods to solve the latter system and thus induce the driving forces of the dynamical system. Our approach is illustrated in both synthetic and real data including non-linear, multimodal stochastic differential equations, biochemical reaction networks as well as mass cytometry biological measurements.
Streaming Algorithms for Stochastic Multi-armed Bandits
Authors: Arnab Maiti, Vishakha Patil, Arindam Khan
Date: 2020-12-09 00:00:00
Tasks: Multi-Armed Bandits, Open-Ended Question Answering

We study the Stochastic Multi-armed Bandit problem under bounded arm-memory. In this setting, the arms arrive in a stream, and the number of arms that can be stored in the memory at any time, is bounded. The decision-maker can only pull arms that are present in the memory. We address the problem from the perspective of two standard objectives: 1) regret minimization, and 2) best-arm identification. For regret minimization, we settle an important open question by showing an almost tight hardness. We show {\Omega}(T^{2/3}) cumulative regret in expectation for arm-memory size of (n-1), where n is the number of arms. For best-arm identification, we study two algorithms. First, we present an O(r) arm-memory r-round adaptive streaming algorithm to find an {\epsilon}-best arm. In r-round adaptive streaming algorithm for best-arm identification, the arm pulls in each round are decided based on the observed outcomes in the earlier rounds. The best-arm is the output at the end of r rounds. The upper bound on the sample complexity of our algorithm matches with the lower bound for any r-round adaptive streaming algorithm. Secondly, we present a heuristic to find the {\epsilon}-best arm with optimal sample complexity, by storing only one extra arm in the memory.
Implicit Regularization in ReLU Networks with the Square Loss
Authors: Gal Vardi, Ohad Shamir
Date: 2020-12-09 00:00:00

Understanding the implicit regularization (or implicit bias) of gradient descent has recently been a very active research area. However, the implicit regularization in nonlinear neural networks is still poorly understood, especially for regression losses such as the square loss. Perhaps surprisingly, we prove that even for a single ReLU neuron, it is impossible to characterize the implicit regularization with the square loss by any explicit function of the model parameters (although on the positive side, we show it can be characterized approximately). For one hidden-layer networks, we prove a similar result, where in general it is impossible to characterize implicit regularization properties in this manner, except for the "balancedness" property identified in Du et al. [2018]. Our results suggest that a more general framework than the one considered so far may be needed to understand implicit regularization for nonlinear predictors, and provides some clues on what this framework should be.
Transformer Query-Target Knowledge Discovery (TEND): Drug Discovery from CORD-19
Authors: Leo K. Tam, Xiaosong Wang, Daguang Xu
Date: 2020-11-28 00:00:00
Tasks: Drug Discovery, Language Modeling, Language Modelling, Negation, Specificity

Previous work established skip-gram word2vec models could be used to mine knowledge in the materials science literature for the discovery of thermoelectrics. Recent transformer architectures have shown great progress in language modeling and associated fine-tuned tasks, but they have yet to be adapted for drug discovery. We present a RoBERTa transformer-based method that extends the masked language token prediction using query-target conditioning to treat the specificity challenge. The transformer discovery method entails several benefits over the word2vec method including domain-specific (antiviral) analogy performance, negation handling, and flexible query analysis (specific) and is demonstrated on influenza drug discovery. To stimulate COVID-19 research, we release an influenza clinical trials and antiviral analogies dataset used in conjunction with the COVID-19 Open Research Dataset Challenge (CORD-19) literature dataset in the study. We examine k-shot fine-tuning to improve the downstream analogies performance as well as to mine analogies for model explainability. Further, the query-target analysis is verified in a forward chaining analysis against the influenza drug clinical trials dataset, before adapted for COVID-19 drugs (combinations and side-effects) and on-going clinical trials. In consideration of the present topic, we release the model, dataset, and code.
Diluted Near-Optimal Expert Demonstrations for Guiding Dialogue Stochastic Policy Optimisation
Authors: Thibault Cordier, Tanguy Urvoy, Lina M. Rojas-Barahona, Fabrice Lefèvre
Date: 2020-11-25 00:00:00
Tasks: Imitation Learning, Q-Learning, Reinforcement Learning (RL)

A learning dialogue agent can infer its behaviour from interactions with the users. These interactions can be taken from either human-to-human or human-machine conversations. However, human interactions are scarce and costly, making learning from few interactions essential. One solution to speedup the learning process is to guide the agent's exploration with the help of an expert. We present in this paper several imitation learning strategies for dialogue policy where the guiding expert is a near-optimal handcrafted policy. We incorporate these strategies with state-of-the-art reinforcement learning methods based on Q-learning and actor-critic. We notably propose a randomised exploration policy which allows for a seamless hybridisation of the learned policy and the expert. Our experiments show that our hybridisation strategy outperforms several baselines, and that it can accelerate the learning when facing real humans.
Generate Your Counterfactuals: Towards Controlled Counterfactual Generation for Text
Authors: Nishtha Madaan, Inkit Padhi, Naveen Panwar, Diptikalyan Saha
Date: 2020-12-08 00:00:00
Tasks: counterfactual, Data Augmentation, TAG

Machine Learning has seen tremendous growth recently, which has led to larger adoption of ML systems for educational assessments, credit risk, healthcare, employment, criminal justice, to name a few. The trustworthiness of ML and NLP systems is a crucial aspect and requires a guarantee that the decisions they make are fair and robust. Aligned with this, we propose a framework GYC, to generate a set of counterfactual text samples, which are crucial for testing these ML systems. Our main contributions include a) We introduce GYC, a framework to generate counterfactual samples such that the generation is plausible, diverse, goal-oriented, and effective, b) We generate counterfactual samples, that can direct the generation towards a corresponding condition such as named-entity tag, semantic role label, or sentiment. Our experimental results on various domains show that GYC generates counterfactual text samples exhibiting the above four properties. GYC generates counterfactuals that can act as test cases to evaluate a model and any text debiasing algorithm.
Fact-Enhanced Synthetic News Generation
Authors: Kai Shu, Yichuan Li, Kaize Ding, Huan Liu
Date: 2020-12-08 00:00:00
Tasks: News Generation, Text Generation, Text Summarization, Translation

The advanced text generation methods have witnessed great success in text summarization, language translation, and synthetic news generation. However, these techniques can be abused to generate disinformation and fake news. To better understand the potential threats of synthetic news, we develop a new generation method FactGen to generate high-quality news content. The existing text generation methods either afford limited supplementary information or lose consistency between the input and output which makes the synthetic news less trustworthy. To address these issues, FactGen retrieves external facts to enrich the output and reconstructs the input claim from the generated content to improve the consistency among the input and the output. Experiment results on real-world datasets show that the generated news contents of FactGen are consistent and contain rich facts. We also discuss the possible defending method to identify these synthetic news pieces if FactGen is used to generate synthetic news.
Open Knowledge Graphs Canonicalization using Variational Autoencoders
Authors: Sarthak Dash, Gaetano Rossiello, Nandana Mihindukulasooriya, Sugato Bagchi, Alfio Gliozzo
Date: 2020-12-08 00:00:00
Proceeding: EMNLP 2021 11
Tasks: Clustering, Knowledge Graphs, Relation

Noun phrases and Relation phrases in open knowledge graphs are not canonicalized, leading to an explosion of redundant and ambiguous subject-relation-object triples. Existing approaches to solve this problem take a two-step approach. First, they generate embedding representations for both noun and relation phrases, then a clustering algorithm is used to group them using the embeddings as features. In this work, we propose Canonicalizing Using Variational Autoencoders (CUVA), a joint model to learn both embeddings and cluster assignments in an end-to-end approach, which leads to a better vector representation for the noun and relation phrases. Our evaluation over multiple benchmarks shows that CUVA outperforms the existing state-of-the-art approaches. Moreover, we introduce CanonicNell, a novel dataset to evaluate entity canonicalization systems.
On an Unknown Ancestor of Burrows' Delta Measure
Authors: Petr Plechac
Date: 2020-12-09 00:00:00
Tasks: Authorship Attribution

This article points out some surprising similarities between a 1944 study by Georgy Udny Yule and modern approaches to authorship attribution.