pwc-archive/papers-with-abstracts huggingface dataset:
Integrating Transformer and Autoencoder Techniques with Spectral Graph Algorithms for the Prediction of Scarcely Labeled Molecular Data
Authors: Nicole Hayes, Ekaterina Merkurjev, Guo-Wei Wei
Date: 2022-11-12 00:00:00
Tasks: Transfer Learning

In molecular and biological sciences, experiments are expensive, time-consuming, and often subject to ethical constraints. Consequently, one often faces the challenging task of predicting desirable properties from small data sets or scarcely-labeled data sets. Although transfer learning can be advantageous, it requires the existence of a related large data set. This work introduces three graph-based models incorporating Merriman-Bence-Osher (MBO) techniques to tackle this challenge. Specifically, graph-based modifications of the MBO scheme are integrated with state-of-the-art techniques, including a home-made transformer and an autoencoder, in order to deal with scarcely-labeled data sets. In addition, a consensus technique is detailed. The proposed models are validated using five benchmark data sets. We also provide a thorough comparison to other competing methods, such as support vector machines, random forests, and gradient boosting decision trees, which are known for their good performance on small data sets. The performances of various methods are analyzed using residue-similarity (R-S) scores and R-S indices. Extensive computational experiments and theoretical analysis show that the new models perform very well even when as little as 1% of the data set is used as labeled data.
Deep Reinforcement Learning with Vector Quantized Encoding
Authors: Liang Zhang, Justin Lieffers, Adarsh Pyarelal
Date: 2022-11-12 00:00:00
Tasks: Decision Making, Deep Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Human decision-making often involves combining similar states into categories and reasoning at the level of the categories rather than the actual states. Guided by this intuition, we propose a novel method for clustering state features in deep reinforcement learning (RL) methods to improve their interpretability. Specifically, we propose a plug-and-play framework termed \emph{vector quantized reinforcement learning} (VQ-RL) that extends classic RL pipelines with an auxiliary classification task based on vector quantized (VQ) encoding and aligns with policy training. The VQ encoding method categorizes features with similar semantics into clusters and results in tighter clusters with better separation compared to classic deep RL methods, thus enabling neural models to learn similarities and differences between states better. Furthermore, we introduce two regularization methods to help increase the separation between clusters and avoid the risks associated with VQ training. In simulations, we demonstrate that VQ-RL improves interpretability and investigate its impact on robustness and generalization of deep RL.
PriMask: Cascadable and Collusion-Resilient Data Masking for Mobile Cloud Inference
Authors: Linshan Jiang, Qun Song, Rui Tan, Mo Li
Date: 2022-11-12 00:00:00
Tasks: Activity Recognition, Human Activity Recognition

Mobile cloud offloading is indispensable for inference tasks based on large-scale deep models. However, transmitting privacy-rich inference data to the cloud incurs concerns. This paper presents the design of a system called PriMask, in which the mobile device uses a secret small-scale neural network called MaskNet to mask the data before transmission. PriMask significantly weakens the cloud's capability to recover the data or extract certain private attributes. The MaskNet is em cascadable in that the mobile can opt in to or out of its use seamlessly without any modifications to the cloud's inference service. Moreover, the mobiles use different MaskNets, such that the collusion between the cloud and some mobiles does not weaken the protection for other mobiles. We devise a {\em split adversarial learning} method to train a neural network that generates a new MaskNet quickly (within two seconds) at run time. We apply PriMask to three mobile sensing applications with diverse modalities and complexities, i.e., human activity recognition, urban environment crowdsensing, and driver behavior recognition. Results show PriMask's effectiveness in all three applications.
Bayesian Learning of Coupled Biogeochemical-Physical Models
Authors: Abhinav Gupta, Pierre F. J. Lermusiaux
Date: 2022-11-12 00:00:00

Predictive dynamical models for marine ecosystems are used for a variety of needs. Due to sparse measurements and limited understanding of the myriad of ocean processes, there is however significant uncertainty. There is model uncertainty in the parameter values, functional forms with diverse parameterizations, level of complexity needed, and thus in the state fields. We develop a Bayesian model learning methodology that allows interpolation in the space of candidate models and discovery of new models from noisy, sparse, and indirect observations, all while estimating state fields and parameter values, as well as the joint PDFs of all learned quantities. We address the challenges of high-dimensional and multidisciplinary dynamics governed by PDEs by using state augmentation and the computationally efficient GMM-DO filter. Our innovations include stochastic formulation and complexity parameters to unify candidate models into a single general model as well as stochastic expansion parameters within piecewise function approximations to generate dense candidate model spaces. These innovations allow handling many compatible and embedded candidate models, possibly none of which are accurate, and learning elusive unknown functional forms. Our new methodology is generalizable, interpretable, and extrapolates out of the space of models to discover new ones. We perform a series of twin experiments based on flows past a ridge coupled with three-to-five component ecosystem models, including flows with chaotic advection. The probabilities of known, uncertain, and unknown model formulations, and of state fields and parameters, are updated jointly using Bayes' law. Non-Gaussian statistics, ambiguity, and biases are captured. The parameter values and model formulations that best explain the data are identified. When observations are sufficiently informative, model complexity and functions are discovered.
A Generalized Doubly Robust Learning Framework for Debiasing Post-Click Conversion Rate Prediction
Authors: Quanyu Dai, Haoxuan Li, Peng Wu, Zhenhua Dong, Xiao-Hua Zhou, Rui Zhang, Jie Sun
Date: 2022-11-12 00:00:00
Tasks: Generalization Bounds, Imputation, Selection bias

Post-click conversion rate (CVR) prediction is an essential task for discovering user interests and increasing platform revenues in a range of industrial applications. One of the most challenging problems of this task is the existence of severe selection bias caused by the inherent self-selection behavior of users and the item selection process of systems. Currently, doubly robust (DR) learning approaches achieve the state-of-the-art performance for debiasing CVR prediction. However, in this paper, by theoretically analyzing the bias, variance and generalization bounds of DR methods, we find that existing DR approaches may have poor generalization caused by inaccurate estimation of propensity scores and imputation errors, which often occur in practice. Motivated by such analysis, we propose a generalized learning framework that not only unifies existing DR methods, but also provides a valuable opportunity to develop a series of new debiasing techniques to accommodate different application scenarios. Based on the framework, we propose two new DR methods, namely DR-BIAS and DR-MSE. DR-BIAS directly controls the bias of DR loss, while DR-MSE balances the bias and variance flexibly, which achieves better generalization performance. In addition, we propose a novel tri-level joint learning optimization method for DR-MSE in CVR prediction, and an efficient training algorithm correspondingly. We conduct extensive experiments on both real-world and semi-synthetic datasets, which validate the effectiveness of our proposed methods.
Learning dynamical systems: an example from open quantum system dynamics
Authors: Pietro Novelli
Date: 2022-11-12 00:00:00
Tasks: Operator learning

Machine learning algorithms designed to learn dynamical systems from data can be used to forecast, control and interpret the observed dynamics. In this work we exemplify the use of one of such algorithms, namely Koopman operator learning, in the context of open quantum system dynamics. We will study the dynamics of a small spin chain coupled with dephasing gates and show how Koopman operator learning is an approach to efficiently learn not only the evolution of the density matrix, but also of every physical observable associated to the system. Finally, leveraging the spectral decomposition of the learned Koopman operator, we show how symmetries obeyed by the underlying dynamics can be inferred directly from data.
Kinematics Transformer: Solving The Inverse Modeling Problem of Soft Robots using Transformers
Authors: Abdelrahman Alkhodary, Berke Gur
Date: 2022-11-12 00:00:00

Soft robotic manipulators provide numerous advantages over conventional rigid manipulators in fragile environments such as the marine environment. However, developing analytic inverse models necessary for shape, motion, and force control of such robots remains a challenging problem. As an alternative to analytic models, numerical models can be learned using powerful machine learned methods. In this paper, the Kinematics Transformer is proposed for developing accurate and precise inverse kinematic models of soft robotic limbs. The proposed method re-casts the inverse kinematics problem as a sequential prediction problem and is based on the transformer architecture. Numerical simulations reveal that the proposed method can effectively be used in controlling a soft limb. Benchmark studies also reveal that the proposed method has better accuracy and precision compared to the baseline feed-forward neural network
Modular Clinical Decision Support Networks (MoDN) -- Updatable, Interpretable, and Portable Predictions for Evolving Clinical Environments
Authors: Cécile Trottet, Thijs Vogels, Martin Jaggi, Mary-Anne Hartley
Date: 2022-11-12 00:00:00
Tasks: Privacy Preserving

Data-driven Clinical Decision Support Systems (CDSS) have the potential to improve and standardise care with personalised probabilistic guidance. However, the size of data required necessitates collaborative learning from analogous CDSS's, which are often unsharable or imperfectly interoperable (IIO), meaning their feature sets are not perfectly overlapping. We propose Modular Clinical Decision Support Networks (MoDN) which allow flexible, privacy-preserving learning across IIO datasets, while providing interpretable, continuous predictive feedback to the clinician. MoDN is a novel decision tree composed of feature-specific neural network modules. It creates dynamic personalised representations of patients, and can make multiple predictions of diagnoses, updatable at each step of a consultation. The modular design allows it to compartmentalise training updates to specific features and collaboratively learn between IIO datasets without sharing any data.
Online Algorithms for the Multi-Armed Bandit Problem with Markovian Rewards
Authors: Cem Tekin, Mingyan Liu
Date: 2010-07-14 00:00:00

We consider the classical multi-armed bandit problem with Markovian rewards. When played an arm changes its state in a Markovian fashion while it remains frozen when not played. The player receives a state-dependent reward each time it plays an arm. The number of states and the state transition probabilities of an arm are unknown to the player. The player's objective is to maximize its long-term total reward by learning the best arm over time. We show that under certain conditions on the state transition probabilities of the arms, a sample mean based index policy achieves logarithmic regret uniformly over the total number of trials. The result shows that sample mean based index policies can be applied to learning problems under the rested Markovian bandit model without loss of optimality in the order. Moreover, comparision between Anantharam's index policy and UCB shows that by choosing a small exploration parameter UCB can have a smaller regret than Anantharam's index policy.
CACTO: Continuous Actor-Critic with Trajectory Optimization -- Towards global optimality
Authors: Gianluigi Grandesso, Elisa Alboni, Gastone P. Rosati Papini, Patrick M. Wensing, Andrea Del Prete
Date: 2022-11-12 00:00:00
Tasks: continuous-control, Continuous Control, Reinforcement Learning (RL)

This paper presents a novel algorithm for the continuous control of dynamical systems that combines Trajectory Optimization (TO) and Reinforcement Learning (RL) in a single framework. The motivations behind this algorithm are the two main limitations of TO and RL when applied to continuous nonlinear systems to minimize a non-convex cost function. Specifically, TO can get stuck in poor local minima when the search is not initialized close to a "good" minimum. On the other hand, when dealing with continuous state and control spaces, the RL training process may be excessively long and strongly dependent on the exploration strategy. Thus, our algorithm learns a "good" control policy via TO-guided RL policy search that, when used as initial guess provider for TO, makes the trajectory optimization process less prone to converge to poor local optima. Our method is validated on several reaching problems featuring non-convex obstacle avoidance with different dynamical systems, including a car model with 6D state, and a 3-joint planar manipulator. Our results show the great capabilities of CACTO in escaping local minima, while being more computationally efficient than the Deep Deterministic Policy Gradient (DDPG) and Proximal Policy Optimization (PPO) RL algorithms.
Empirical Risk Minimization with Relative Entropy Regularization
Authors: Samir M. Perlaza, Gaetan Bisson, Iñaki Esnaola, Alain Jean-Marie, Stefano Rini
Date: 2022-11-12 00:00:00
Tasks: Sensitivity

The empirical risk minimization (ERM) problem with relative entropy regularization (ERM-RER) is investigated under the assumption that the reference measure is a $\sigma$-finite measure, and not necessarily a probability measure. Under this assumption, which leads to a generalization of the ERM-RER problem allowing a larger degree of flexibility for incorporating prior knowledge, numerous relevant properties are stated. Among these properties, the solution to this problem, if it exists, is shown to be a unique probability measure, mutually absolutely continuous with the reference measure. Such a solution exhibits a probably-approximately-correct guarantee for the ERM problem independently of whether the latter possesses a solution. For a fixed dataset and under a specific condition, the empirical risk is shown to be a sub-Gaussian random variable when the models are sampled from the solution to the ERM-RER problem. The generalization capabilities of the solution to the ERM-RER problem (the Gibbs algorithm) are studied via the sensitivity of the expected empirical risk to deviations from such a solution towards alternative probability measures. Finally, an interesting connection between sensitivity, generalization error, and lautum information is established.
Comprehensive Analysis of Over-smoothing in Graph Neural Networks from Markov Chains Perspective
Authors: Weichen Zhao, Chenguang Wang, Congying Han, Tiande Guo
Date: 2022-11-12 00:00:00
Tasks: Attribute, Graph Neural Network

The over-smoothing problem is an obstacle of developing deep graph neural network (GNN). Although many approaches to improve the over-smoothing problem have been proposed, there is still a lack of comprehensive understanding and conclusion of this problem. In this work, we analyze the over-smoothing problem from the Markov chain perspective. We focus on message passing of GNN and first establish a connection between GNNs and Markov chains on the graph. GNNs are divided into two classes of operator-consistent and operator-inconsistent based on whether the corresponding Markov chains are time-homogeneous. Next we attribute the over-smoothing problem to the convergence of an arbitrary initial distribution to a stationary distribution. Based on this, we prove that although the previously proposed methods can alleviate over-smoothing, but these methods cannot avoid the over-smoothing problem. In addition, we give the conclusion of the over-smoothing problem in two types of GNNs in the Markovian sense. On the one hand, operator-consistent GNN cannot avoid over-smoothing at an exponential rate. On the other hand, operator-inconsistent GNN is not always over-smoothing. Further, we investigate the existence of the limiting distribution of the time-inhomogeneous Markov chain, from which we derive a sufficient condition for operator-inconsistent GNN to avoid over-smoothing. Finally, we design experiments to verify our findings. Results show that our proposed sufficient condition can effectively improve over-smoothing problem in operator-inconsistent GNN and enhance the performance of the model.
On the High Symmetry of Neural Network Functions
Authors: Umberto Michelucci
Date: 2022-11-12 00:00:00
Tasks: Vocal Bursts Intensity Prediction

Training neural networks means solving a high-dimensional optimization problem. Normally the goal is to minimize a loss function that depends on what is called the network function, or in other words the function that gives the network output given a certain input. This function depends on a large number of parameters, also known as weights, that depends on the network architecture. In general the goal of this optimization problem is to find the global minimum of the network function. In this paper it is discussed how due to how neural networks are designed, the neural network function present a very large symmetry in the parameter space. This work shows how the neural network function has a number of equivalent minima, in other words minima that give the same value for the loss function and the same exact output, that grows factorially with the number of neurons in each layer for feed forward neural network or with the number of filters in a convolutional neural networks. When the number of neurons and layers is large, the number of equivalent minima grows extremely fast. This will have of course consequences for the study of how neural networks converges to minima during training. This results is known, but in this paper for the first time a proper mathematical discussion is presented and an estimate of the number of equivalent minima is derived.
Significant Ties Graph Neural Networks for Continuous-Time Temporal Networks Modeling
Authors: Jiayun Wu, Tao Jia, Yansong Wang, Li Tao
Date: 2022-11-12 00:00:00
Tasks: Diversity, Epidemiology, Recommendation Systems

Temporal networks are suitable for modeling complex evolving systems. It has a wide range of applications, such as social network analysis, recommender systems, and epidemiology. Recently, modeling such dynamic systems has drawn great attention in many domains. However, most existing approaches resort to taking discrete snapshots of the temporal networks and modeling all events with equal importance. This paper proposes Significant Ties Graph Neural Networks (STGNN), a novel framework that captures and describes significant ties. To better model the diversity of interactions, STGNN introduces a novel aggregation mechanism to organize the most significant historical neighbors' information and adaptively obtain the significance of node pairs. Experimental results on four real networks demonstrate the effectiveness of the proposed framework.
Provable Membership Inference Privacy
Authors: Zachary Izzo, Jinsung Yoon, Sercan O. Arik, James Zou
Date: 2022-11-12 00:00:00

In applications involving sensitive data, such as finance and healthcare, the necessity for preserving data privacy can be a significant barrier to machine learning model development. Differential privacy (DP) has emerged as one canonical standard for provable privacy. However, DP's strong theoretical guarantees often come at the cost of a large drop in its utility for machine learning, and DP guarantees themselves can be difficult to interpret. In this work, we propose a novel privacy notion, membership inference privacy (MIP), to address these challenges. We give a precise characterization of the relationship between MIP and DP, and show that MIP can be achieved using less amount of randomness compared to the amount required for guaranteeing DP, leading to a smaller drop in utility. MIP guarantees are also easily interpretable in terms of the success rate of membership inference attacks. Our theoretical results also give rise to a simple algorithm for guaranteeing MIP which can be used as a wrapper around any algorithm with a continuous output, including parametric model training.
RISE: Robust Individualized Decision Learning with Sensitive Variables
Authors: Xiaoqing Tan, Zhengling Qi, Christopher W. Seymour, Lu Tang
Date: 2022-11-12 00:00:00
Tasks: Decision Making, Fairness

This paper introduces RISE, a robust individualized decision learning framework with sensitive variables, where sensitive variables are collectible data and important to the intervention decision, but their inclusion in decision making is prohibited due to reasons such as delayed availability or fairness concerns. A naive baseline is to ignore these sensitive variables in learning decision rules, leading to significant uncertainty and bias. To address this, we propose a decision learning framework to incorporate sensitive variables during offline training but not include them in the input of the learned decision rule during model deployment. Specifically, from a causal perspective, the proposed framework intends to improve the worst-case outcomes of individuals caused by sensitive variables that are unavailable at the time of decision. Unlike most existing literature that uses mean-optimal objectives, we propose a robust learning framework by finding a newly defined quantile- or infimum-optimal decision rule. The reliable performance of the proposed method is demonstrated through synthetic experiments and three real-world applications.
Online Search with Predictions: Pareto-optimal Algorithm and its Applications in Energy Markets
Authors: Russell Lee, Bo Sun, Mohammad Hajiesmaili, John C. S. Lui
Date: 2022-11-12 00:00:00
Tasks: energy trading

This paper develops learning-augmented algorithms for energy trading in volatile electricity markets. The basic problem is to sell (or buy) $k$ units of energy for the highest revenue (lowest cost) over uncertain time-varying prices, which can framed as a classic online search problem in the literature of competitive analysis. State-of-the-art algorithms assume no knowledge about future market prices when they make trading decisions in each time slot, and aim for guaranteeing the performance for the worst-case price sequence. In practice, however, predictions about future prices become commonly available by leveraging machine learning. This paper aims to incorporate machine-learned predictions to design competitive algorithms for online search problems. An important property of our algorithms is that they achieve performances competitive with the offline algorithm in hindsight when the predictions are accurate (i.e., consistency) and also provide worst-case guarantees when the predictions are arbitrarily wrong (i.e., robustness). The proposed algorithms achieve the Pareto-optimal trade-off between consistency and robustness, where no other algorithms for online search can improve on the consistency for a given robustness. Further, we extend the basic online search problem to a more general inventory management setting that can capture storage-assisted energy trading in electricity markets. In empirical evaluations using traces from real-world applications, our learning-augmented algorithms improve the average empirical performance compared to benchmark algorithms, while also providing improved worst-case performance.