pwc-archive/papers-with-abstracts huggingface dataset:
To the Noise and Back: Diffusion for Shared Autonomy
Authors: Takuma Yoneda, Luzhe Sun, and Ge Yang, Bradly Stadie, Matthew Walter
Date: 2023-02-23 00:00:00
Tasks: continuous-control, Continuous Control, Deep Reinforcement Learning, Reinforcement Learning (RL)

Shared autonomy is an operational concept in which a user and an autonomous agent collaboratively control a robotic system. It provides a number of advantages over the extremes of full-teleoperation and full-autonomy in many settings. Traditional approaches to shared autonomy rely on knowledge of the environment dynamics, a discrete space of user goals that is known a priori, or knowledge of the user's policy -- assumptions that are unrealistic in many domains. Recent works relax some of these assumptions by formulating shared autonomy with model-free deep reinforcement learning (RL). In particular, they no longer need knowledge of the goal space (e.g., that the goals are discrete or constrained) or environment dynamics. However, they need knowledge of a task-specific reward function to train the policy. Unfortunately, such reward specification can be a difficult and brittle process. On top of that, the formulations inherently rely on human-in-the-loop training, and that necessitates them to prepare a policy that mimics users' behavior. In this paper, we present a new approach to shared autonomy that employs a modulation of the forward and reverse diffusion process of diffusion models. Our approach does not assume known environment dynamics or the space of user goals, and in contrast to previous work, it does not require any reward feedback, nor does it require access to the user's policy during training. Instead, our framework learns a distribution over a space of desired behaviors. It then employs a diffusion model to translate the user's actions to a sample from this distribution. Crucially, we show that it is possible to carry out this process in a manner that preserves the user's control authority. We evaluate our framework on a series of challenging continuous control tasks, and analyze its ability to effectively correct user actions while maintaining their autonomy.
Improving Adaptive Conformal Prediction Using Self-Supervised Learning
Authors: Nabeel Seedat, Alan Jeffares, Fergus Imrie, Mihaela van der Schaar
Date: 2023-02-23 00:00:00
Tasks: Conformal Prediction, Prediction, Prediction Intervals, Representation Learning, Self-Supervised Learning, Uncertainty Quantification, valid

Conformal prediction is a powerful distribution-free tool for uncertainty quantification, establishing valid prediction intervals with finite-sample guarantees. To produce valid intervals which are also adaptive to the difficulty of each instance, a common approach is to compute normalized nonconformity scores on a separate calibration set. Self-supervised learning has been effectively utilized in many domains to learn general representations for downstream predictors. However, the use of self-supervision beyond model pretraining and representation learning has been largely unexplored. In this work, we investigate how self-supervised pretext tasks can improve the quality of the conformal regressors, specifically by improving the adaptability of conformal intervals. We train an auxiliary model with a self-supervised pretext task on top of an existing predictive model and use the self-supervised error as an additional feature to estimate nonconformity scores. We empirically demonstrate the benefit of the additional information using both synthetic and real data on the efficiency (width), deficit, and excess of conformal prediction intervals.
Q-Flow: Generative Modeling for Differential Equations of Open Quantum Dynamics with Normalizing Flows
Authors: Owen Dugan, Peter Y. Lu, Rumen Dangovski, Di Luo, Marin Soljačić
Date: 2023-02-23 00:00:00

Studying the dynamics of open quantum systems can enable breakthroughs both in fundamental physics and applications to quantum engineering and quantum computation. Since the density matrix $\rho$, which is the fundamental description for the dynamics of such systems, is high-dimensional, customized deep generative neural networks have been instrumental in modeling $\rho$. However, the complex-valued nature and normalization constraints of $\rho$, as well as its complicated dynamics, prohibit a seamless connection between open quantum systems and the recent advances in deep generative modeling. Here we lift that limitation by utilizing a reformulation of open quantum system dynamics to a partial differential equation (PDE) for a corresponding probability distribution $Q$, the Husimi Q function. Thus, we model the Q function seamlessly with off-the-shelf deep generative models such as normalizing flows. Additionally, we develop novel methods for learning normalizing flow evolution governed by high-dimensional PDEs based on the Euler method and the application of the time-dependent variational principle. We name the resulting approach $Q$-$Flow$ and demonstrate the scalability and efficiency of Q-Flow on open quantum system simulations, including the dissipative harmonic oscillator and the dissipative bosonic model. Q-Flow is superior to conventional PDE solvers and state-of-the-art physics-informed neural network solvers, especially in high-dimensional systems.
A Definition of Non-Stationary Bandits
Authors: Yueyang Liu, Xu Kuang, Benjamin Van Roy
Date: 2023-02-23 00:00:00

Despite the subject of non-stationary bandit learning having attracted much recent attention, we have yet to identify a formal definition of non-stationarity that can consistently distinguish non-stationary bandits from stationary ones. Prior work has characterized non-stationary bandits as bandits for which the reward distribution changes over time. We demonstrate that this definition can ambiguously classify the same bandit as both stationary and non-stationary; this ambiguity arises in the existing definition's dependence on the latent sequence of reward distributions. Moreover, the definition has given rise to two widely used notions of regret: the dynamic regret and the weak regret. These notions are not indicative of qualitative agent performance in some bandits. Additionally, this definition of non-stationary bandits has led to the design of agents that explore excessively. We introduce a formal definition of non-stationary bandits that resolves these issues. Our new definition provides a unified approach, applicable seamlessly to both Bayesian and frequentist formulations of bandits. Furthermore, our definition ensures consistent classification of two bandits offering agents indistinguishable experiences, categorizing them as either both stationary or both non-stationary. This advancement provides a more robust framework for non-stationary bandit learning.
Calibrated Regression Against An Adversary Without Regret
Authors: Shachi Deshpande, Charles Marx, Volodymyr Kuleshov
Date: 2023-02-23 00:00:00
Tasks: Bayesian Optimization, Decision Making, regression, Uncertainty Quantification, valid

We are interested in probabilistic prediction in online settings in which data does not follow a probability distribution. Our work seeks to achieve two goals: (1) producing valid probabilities that accurately reflect model confidence; and (2) ensuring that traditional notions of performance (e.g., high accuracy) still hold. We introduce online algorithms guaranteed to achieve these goals on arbitrary streams of data points, including data chosen by an adversary. Specifically, our algorithms produce forecasts that are (1) calibrated -- i.e., an 80% confidence interval contains the true outcome 80% of the time -- and (2) have low regret relative to a user-specified baseline model. We implement a post-hoc recalibration strategy that provably achieves these goals in regression; previous algorithms applied to classification or achieved (1) but not (2). In the context of Bayesian optimization, an online model-based decision-making task in which the data distribution shifts over time, our method yields accelerated convergence to improved optima.
EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction
Authors: Yang Zhang, Zhewei Wei, Ye Yuan, Chongxuan Li, Wenbing Huang
Date: 2023-02-23 00:00:00
Tasks: Drug Discovery, Graph Neural Network

Predicting the binding sites of target proteins plays a fundamental role in drug discovery. Most existing deep-learning methods consider a protein as a 3D image by spatially clustering its atoms into voxels and then feed the voxelized protein into a 3D CNN for prediction. However, the CNN-based methods encounter several critical issues: 1) defective in representing irregular protein structures; 2) sensitive to rotations; 3) insufficient to characterize the protein surface; 4) unaware of protein size shift. To address the above issues, this work proposes EquiPocket, an E(3)-equivariant Graph Neural Network (GNN) for binding site prediction, which comprises three modules: the first one to extract local geometric information for each surface atom, the second one to model both the chemical and spatial structure of protein and the last one to capture the geometry of the surface via equivariant message passing over the surface atoms. We further propose a dense attention output layer to alleviate the effect incurred by variable protein size. Extensive experiments on several representative benchmarks demonstrate the superiority of our framework to the state-of-the-art methods.
Personalized Decentralized Federated Learning with Knowledge Distillation
Authors: Eunjeong Jeong, Marios Kountouris
Date: 2023-02-23 00:00:00
Tasks: Federated Learning, Knowledge Distillation

Personalization in federated learning (FL) functions as a coordinator for clients with high variance in data or behavior. Ensuring the convergence of these clients' models relies on how closely users collaborate with those with similar patterns or preferences. However, it is generally challenging to quantify similarity under limited knowledge about other users' models given to users in a decentralized network. To cope with this issue, we propose a personalized and fully decentralized FL algorithm, leveraging knowledge distillation techniques to empower each device so as to discern statistical distances between local models. Each client device can enhance its performance without sharing local data by estimating the similarity between two intermediate outputs from feeding local samples as in knowledge distillation. Our empirical studies demonstrate that the proposed algorithm improves the test accuracy of clients in fewer iterations under highly non-independent and identically distributed (non-i.i.d.) data distributions and is beneficial to agents with small datasets, even without the need for a central server.
Streaming data recovery via Bayesian tensor train decomposition
Authors: Yunyu Huang, Yani Feng, Qifeng Liao
Date: 2023-02-23 00:00:00
Tasks: Tensor Decomposition, Variational Inference

In this paper, we study a Bayesian tensor train (TT) decomposition method to recover streaming data by approximating the latent structure in high-order streaming data. Drawing on the streaming variational Bayes method, we introduce the TT format into Bayesian tensor decomposition methods for streaming data, and formulate posteriors of TT cores. Thanks to the Bayesian framework of the TT format, the proposed algorithm (SPTT) excels in recovering streaming data with high-order, incomplete, and noisy properties. The experiments in synthetic and real-world datasets show the accuracy of our method compared to state-of-the-art Bayesian tensor decomposition methods for streaming data.
Detecting Signs of Model Change with Continuous Model Selection Based on Descriptive Dimensionality
Authors: Kenji Yamanishi, So Hirai
Date: 2023-02-23 00:00:00
Tasks: Descriptive, model, Model Selection

We address the issue of detecting changes of models that lie behind a data stream. The model refers to an integer-valued structural information such as the number of free parameters in a parametric model. Specifically we are concerned with the problem of how we can detect signs of model changes earlier than they are actualized. To this end, we employ {\em continuous model selection} on the basis of the notion of {\em descriptive dimensionality}~(Ddim). It is a real-valued model dimensionality, which is designed for quantifying the model dimensionality in the model transition period. Continuous model selection is to determine the real-valued model dimensionality in terms of Ddim from a given data. We propose a novel methodology for detecting signs of model changes by tracking the rise-up of Ddim in a data stream. We apply this methodology to detecting signs of changes of the number of clusters in a Gaussian mixture model and those of the order in an auto regression model. With synthetic and real data sets, we empirically demonstrate its effectiveness by showing that it is able to visualize well how rapidly model dimensionality moves in the transition period and to raise early warning signals of model changes earlier than they are detected with existing methods.
Sequential Counterfactual Risk Minimization
Authors: Houssam Zenati, Eustache Diemert, Matthieu Martin, Julien Mairal, Pierre Gaillard
Date: 2023-02-23 00:00:00
Tasks: counterfactual

Counterfactual Risk Minimization (CRM) is a framework for dealing with the logged bandit feedback problem, where the goal is to improve a logging policy using offline data. In this paper, we explore the case where it is possible to deploy learned policies multiple times and acquire new data. We extend the CRM principle and its theory to this scenario, which we call "Sequential Counterfactual Risk Minimization (SCRM)." We introduce a novel counterfactual estimator and identify conditions that can improve the performance of CRM in terms of excess risk and regret rates, by using an analysis similar to restart strategies in accelerated optimization methods. We also provide an empirical evaluation of our method in both discrete and continuous action settings, and demonstrate the benefits of multiple deployments of CRM.
Financial Distress Prediction For Small And Medium Enterprises Using Machine Learning Techniques
Authors: Yuan Gao, Biao Jiang, Jietong Zhou
Date: 2023-02-23 00:00:00
Tasks: feature selection

Financial Distress Prediction plays a crucial role in the economy by accurately forecasting the number and probability of failing structures, providing insight into the growth and stability of a country's economy. However, predicting financial distress for Small and Medium Enterprises is challenging due to their inherent ambiguity, leading to increased funding costs and decreased chances of receiving funds. While several strategies have been developed for effective FCP, their implementation, accuracy, and data security fall short of practical applications. Additionally, many of these strategies perform well for a portion of the dataset but are not adaptable to various datasets. As a result, there is a need to develop a productive prediction model for better order execution and adaptability to different datasets. In this review, we propose a feature selection algorithm for FCP based on element credits and data source collection. Current financial distress prediction models rely mainly on financial statements and disregard the timeliness of organization tests. Therefore, we propose a corporate FCP model that better aligns with industry practice and incorporates the gathering of thin-head component analysis of financial data, corporate governance qualities, and market exchange data with a Relevant Vector Machine. Experimental results demonstrate that this strategy can improve the forecast efficiency of financial distress with fewer characteristic factors.
A Constraints Fusion-induced Symmetric Nonnegative Matrix Factorization Approach for Community Detection
Authors: ZhiGang Liu, Xin Luo
Date: 2023-02-23 00:00:00
Tasks: Community Detection, Representation Learning

Community is a fundamental and critical characteristic of an undirected social network, making community detection be a vital yet thorny issue in network representation learning. A symmetric and non-negative matrix factorization (SNMF) model is frequently adopted to address this issue owing to its great interpretability and scalability. However, it adopts a single latent factor matrix to represent an undirected network for precisely representing its symmetry, which leads to loss of representation learning ability due to the reduced latent space. Motivated by this discovery, this paper proposes a novel Constraints Fusion-induced Symmetric Nonnegative Matrix Factorization (CFS) model that adopts three-fold ideas: a) Representing a target undirected network with multiple latent factor matrices, thus preserving its representation learning capacity; b) Incorporating a symmetry-regularizer that preserves the symmetry of the learnt low-rank approximation to the adjacency matrix into the loss function, thus making the resultant detector well-aware of the target network's symmetry; and c) Introducing a graph-regularizer that preserves local invariance of the network's intrinsic geometry, thus making the achieved detector well-aware of community structure within the target network. Extensively empirical studies on eight real-world social networks from industrial applications demonstrate that the proposed CFS model significantly outperforms state-of-the-art models in achieving highly-accurate community detection results.
Random Teachers are Good Teachers
Authors: Felix Sarnthein, Gregor Bachmann, Sotiris Anagnostidis, Thomas Hofmann
Date: 2023-02-23 00:00:00
Tasks: Data Augmentation, Self-Supervised Learning

In this work, we investigate the implicit regularization induced by teacher-student learning dynamics in self-distillation. To isolate its effect, we describe a simple experiment where we consider teachers at random initialization instead of trained teachers. Surprisingly, when distilling a student into such a random teacher, we observe that the resulting model and its representations already possess very interesting characteristics; (1) we observe a strong improvement of the distilled student over its teacher in terms of probing accuracy. (2) The learned representations are data-dependent and transferable between different tasks but deteriorate strongly if trained on random inputs. (3) The student checkpoint contains sparse subnetworks, so-called lottery tickets, and lies on the border of linear basins in the supervised loss landscape. These observations have interesting consequences for several important areas in machine learning: (1) Self-distillation can work solely based on the implicit regularization present in the gradient dynamics without relying on any dark knowledge, (2) self-supervised learning can learn features even in the absence of data augmentation and (3) training dynamics during the early phase of supervised training do not necessarily require label information. Finally, we shed light on an intriguing local property of the loss landscape: the process of feature learning is strongly amplified if the student is initialized closely to the teacher. These results raise interesting questions about the nature of the landscape that have remained unexplored so far. Code is available at https://github.com/safelix/dinopl.
A Statistical Learning Take on the Concordance Index for Survival Analysis
Authors: Alex Nowak-Vila, Kevin Elgui, Genevieve Robin
Date: 2023-02-23 00:00:00
Tasks: Survival Analysis

The introduction of machine learning (ML) techniques to the field of survival analysis has increased the flexibility of modeling approaches, and ML based models have become state-of-the-art. These models optimize their own cost functions, and their performance is often evaluated using the concordance index (C-index). From a statistical learning perspective, it is therefore an important problem to analyze the relationship between the optimizers of the C-index and those of the ML cost functions. We address this issue by providing C-index Fisher-consistency results and excess risk bounds for several of the commonly used cost functions in survival analysis. We identify conditions under which they are consistent, under the form of three nested families of survival models. We also study the general case where no model assumption is made and present a new, off-the-shelf method that is shown to be consistent with the C-index, although computationally expensive at inference. Finally, we perform limited numerical experiments with simulated data to illustrate our theoretical findings.
Comparative Study of Coupling and Autoregressive Flows through Robust Statistical Tests
Authors: Andrea Coccaro, Marco Letizia, Humberto Reyes-Gonzalez, Riccardo Torre
Date: 2023-02-23 00:00:00
Tasks: Density Estimation, GPU

Normalizing Flows have emerged as a powerful brand of generative models, as they not only allow for efficient sampling of complicated target distributions, but also deliver density estimation by construction. We propose here an in-depth comparison of coupling and autoregressive flows, both of the affine and rational quadratic spline type, considering four different architectures: Real-valued Non-Volume Preserving (RealNVP), Masked Autoregressive Flow (MAF), Coupling Rational Quadratic Spline (C-RQS), and Autoregressive Rational Quadratic Spline (A-RQS). We focus on a set of multimodal target distributions of increasing dimensionality ranging from 4 to 400. The performances are compared by means of different test-statistics for two-sample tests, built from known distance measures: the sliced Wasserstein distance, the dimension-averaged one-dimensional Kolmogorov-Smirnov test, and the Frobenius norm of the difference between correlation matrices. Furthermore, we include estimations of the variance of both the metrics and the trained models. Our results indicate that the A-RQS algorithm stands out both in terms of accuracy and training speed. Nonetheless, all the algorithms are generally able, without too much fine-tuning, to learn complicated distributions with limited training data and in a reasonable time, of the order of hours on a Tesla A40 GPU. The only exception is the C-RQS, which takes significantly longer to train, does not always provide good accuracy, and becomes unstable for large dimensionalities. All algorithms have been implemented using TensorFlow2 and TensorFlow Probability and made available on \href{https://github.com/NF4HEP/NormalizingFlowsHD}{GitHub}.