pwc-archive/papers-with-abstracts huggingface dataset:
Phase Transitions in the Detection of Correlated Databases
Authors: Dor Elimelech, Wasim Huleihel
Date: 2023-02-07 00:00:00

We study the problem of detecting the correlation between two Gaussian databases $\mathsf{X}\in\mathbb{R}^{n\times d}$ and $\mathsf{Y}^{n\times d}$, each composed of $n$ users with $d$ features. This problem is relevant in the analysis of social media, computational biology, etc. We formulate this as a hypothesis testing problem: under the null hypothesis, these two databases are statistically independent. Under the alternative, however, there exists an unknown permutation $\sigma$ over the set of $n$ users (or, row permutation), such that $\mathsf{X}$ is $\rho$-correlated with $\mathsf{Y}^\sigma$, a permuted version of $\mathsf{Y}$. We determine sharp thresholds at which optimal testing exhibits a phase transition, depending on the asymptotic regime of $n$ and $d$. Specifically, we prove that if $\rho^2d\to0$, as $d\to\infty$, then weak detection (performing slightly better than random guessing) is statistically impossible, irrespectively of the value of $n$. This compliments the performance of a simple test that thresholds the sum all entries of $\mathsf{X}^T\mathsf{Y}$. Furthermore, when $d$ is fixed, we prove that strong detection (vanishing error probability) is impossible for any $\rho<\rho^\star$, where $\rho^\star$ is an explicit function of $d$, while weak detection is again impossible as long as $\rho^2d\to0$. These results close significant gaps in current recent related studies.
Data augmentation for machine learning of chemical process flowsheets
Authors: Lukas Schulze Balhorn, Edwin Hirtreiter, Lynn Luderer, Artur M. Schweidtmann
Date: 2023-02-07 00:00:00
Tasks: Chemical Process, Data Augmentation

Artificial intelligence has great potential for accelerating the design and engineering of chemical processes. Recently, we have shown that transformer-based language models can learn to auto-complete chemical process flowsheets using the SFILES 2.0 string notation. Also, we showed that language translation models can be used to translate Process Flow Diagrams (PFDs) into Process and Instrumentation Diagrams (P&IDs). However, artificial intelligence methods require big data and flowsheet data is currently limited. To mitigate this challenge of limited data, we propose a new data augmentation methodology for flowsheet data that is represented in the SFILES 2.0 notation. We show that the proposed data augmentation improves the performance of artificial intelligence-based process design models. In our case study flowsheet data augmentation improved the prediction uncertainty of the flowsheet autocompletion model by 14.7%. In the future, our flowsheet data augmentation can be used for other machine learning algorithms on chemical process flowsheets that are based on SFILES notation.
Transfer learning for process design with reinforcement learning
Authors: Qinghe Gao, HaoYu Yang, Shachi M. Shanbhag, Artur M. Schweidtmann
Date: 2023-02-07 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Transfer Learning

Process design is a creative task that is currently performed manually by engineers. Artificial intelligence provides new potential to facilitate process design. Specifically, reinforcement learning (RL) has shown some success in automating process design by integrating data-driven models that learn to build process flowsheets with process simulation in an iterative design process. However, one major challenge in the learning process is that the RL agent demands numerous process simulations in rigorous process simulators, thereby requiring long simulation times and expensive computational power. Therefore, typically short-cut simulation methods are employed to accelerate the learning process. Short-cut methods can, however, lead to inaccurate results. We thus propose to utilize transfer learning for process design with RL in combination with rigorous simulation methods. Transfer learning is an established approach from machine learning that stores knowledge gained while solving one problem and reuses this information on a different target domain. We integrate transfer learning in our RL framework for process design and apply it to an illustrative case study comprising equilibrium reactions, azeotropic separation, and recycles, our method can design economically feasible flowsheets with stable interaction with DWSIM. Our results show that transfer learning enables RL to economically design feasible flowsheets with DWSIM, resulting in a flowsheet with an 8% higher revenue. And the learning time can be reduced by a factor of 2.
Machine Learning Benchmarks for the Classification of Equivalent Circuit Models from Electrochemical Impedance Spectra
Authors: Joachim Schaeffer, Paul Gasper, Esteban Garcia-Tamayo, Raymond Gasper, Masaki Adachi, Juan Pablo Gaviria-Cardona, Simon Montoya-Bedoya, Anoushka Bhutani, Andrew Schiek, Rhys Goodall, Rolf Findeisen, Richard D. Braatz, Simon Engelke
Date: 2023-02-07 00:00:00

Analysis of Electrochemical Impedance Spectroscopy (EIS) data for electrochemical systems often consists of defining an Equivalent Circuit Model (ECM) using expert knowledge and then optimizing the model parameters to deconvolute various resistance, capacitive, inductive, or diffusion responses. For small data sets, this procedure can be conducted manually; however, it is not feasible to manually define a proper ECM for extensive data sets with a wide range of EIS responses. Automatic identification of an ECM would substantially accelerate the analysis of large sets of EIS data. We showcase machine learning methods to classify the ECMs of 9,300 impedance spectra provided by QuantumScape for the BatteryDEV hackathon. The best-performing approach is a gradient-boosted tree model utilizing a library to automatically generate features, followed by a random forest model using the raw spectral data. A convolutional neural network using boolean images of Nyquist representations is presented as an alternative, although it achieves a lower accuracy. We publish the data and open source the associated code. The approaches described in this article can serve as benchmarks for further studies. A key remaining challenge is the identifiability of the labels, underlined by the model performances and the comparison of misclassified spectra.
A conceptual model for leaving the data-centric approach in machine learning
Authors: Sebastian Scher, Bernhard Geiger, Simone Kopeinik, Andreas Trügler, Dominik Kowald
Date: 2023-02-07 00:00:00
Tasks: Fairness

For a long time, machine learning (ML) has been seen as the abstract problem of learning relationships from data independent of the surrounding settings. This has recently been challenged, and methods have been proposed to include external constraints in the machine learning models. These methods usually come from application-specific fields, such as de-biasing algorithms in the field of fairness in ML or physical constraints in the fields of physics and engineering. In this paper, we present and discuss a conceptual high-level model that unifies these approaches in a common language. We hope that this will enable and foster exchange between the different fields and their different methods for including external constraints into ML models, and thus leaving purely data-centric approaches.
Deep-OSG: Deep Learning of Operators in Semigroup
Authors: Junfeng Chen, Kailiang Wu
Date: 2023-02-07 00:00:00
Tasks: Deep Learning

This paper proposes a novel deep learning approach for learning operators in semigroup, with applications to modeling unknown autonomous dynamical systems using time series data collected at varied time lags. It is a sequel to the previous flow map learning (FML) works [T. Qin, K. Wu, and D. Xiu, J. Comput. Phys., 395:620--635, 2019], [K. Wu and D. Xiu, J. Comput. Phys., 408:109307, 2020], and [Z. Chen, V. Churchill, K. Wu, and D. Xiu, J. Comput. Phys., 449:110782, 2022], which focused on learning single evolution operator with a fixed time step. This paper aims to learn a family of evolution operators with variable time steps, which constitute a semigroup for an autonomous system. The semigroup property is very crucial and links the system's evolutionary behaviors across varying time scales, but it was not considered in the previous works. We propose for the first time a framework of embedding the semigroup property into the data-driven learning process, through a novel neural network architecture and new loss functions. The framework is very feasible, can be combined with any suitable neural networks, and is applicable to learning general autonomous ODEs and PDEs. We present the rigorous error estimates and variance analysis to understand the prediction accuracy and robustness of our approach, showing the remarkable advantages of semigroup awareness in our model. Moreover, our approach allows one to arbitrarily choose the time steps for prediction and ensures that the predicted results are well self-matched and consistent. Extensive numerical experiments demonstrate that embedding the semigroup property notably reduces the data dependency of deep learning models and greatly improves the accuracy, robustness, and stability for long-time prediction.
Towards Enhancing Time Series Contrastive Learning: A Dynamic Bad Pair Mining Approach
Authors: Xiang Lan, Hanshu Yan, Shenda Hong, Mengling Feng
Date: 2023-02-07 00:00:00
Tasks: Contrastive Learning, Representation Learning, Time Series, Time Series Analysis

Not all positive pairs are beneficial to time series contrastive learning. In this paper, we study two types of bad positive pairs that can impair the quality of time series representation learned through contrastive learning: the noisy positive pair and the faulty positive pair. We observe that, with the presence of noisy positive pairs, the model tends to simply learn the pattern of noise (Noisy Alignment). Meanwhile, when faulty positive pairs arise, the model wastes considerable amount of effort aligning non-representative patterns (Faulty Alignment). To address this problem, we propose a Dynamic Bad Pair Mining (DBPM) algorithm, which reliably identifies and suppresses bad positive pairs in time series contrastive learning. Specifically, DBPM utilizes a memory module to dynamically track the training behavior of each positive pair along training process. This allows us to identify potential bad positive pairs at each epoch based on their historical training behaviors. The identified bad pairs are subsequently down-weighted through a transformation module, thereby mitigating their negative impact on the representation learning process. DBPM is a simple algorithm designed as a lightweight plug-in without learnable parameters to enhance the performance of existing state-of-the-art methods. Through extensive experiments conducted on four large-scale, real-world time series datasets, we demonstrate DBPM's efficacy in mitigating the adverse effects of bad positive pairs.
AMFPMC -- An improved method of detecting multiple types of drug-drug interactions using only known drug-drug interactions
Authors: Bar Vered, Guy Shtar, Lior Rokach, Bracha Shapira
Date: 2023-02-07 00:00:00

Adverse drug interactions are largely preventable causes of medical accidents, which frequently result in physician and emergency room encounters. The detection of drug interactions in a lab, prior to a drug's use in medical practice, is essential, however it is costly and time-consuming. Machine learning techniques can provide an efficient and accurate means of predicting possible drug-drug interactions and combat the growing problem of adverse drug interactions. Most existing models for predicting interactions rely on the chemical properties of drugs. While such models can be accurate, the required properties are not always available.
An Informative Path Planning Framework for Active Learning in UAV-based Semantic Mapping
Authors: Julius Rückin, Federico Magistri, Cyrill Stachniss, Marija Popović
Date: 2023-02-07 00:00:00
Tasks: Active Learning, Semantic Segmentation

Unmanned aerial vehicles (UAVs) are frequently used for aerial mapping and general monitoring tasks. Recent progress in deep learning enabled automated semantic segmentation of imagery to facilitate the interpretation of large-scale complex environments. Commonly used supervised deep learning for segmentation relies on large amounts of pixel-wise labelled data, which is tedious and costly to annotate. The domain-specific visual appearance of aerial environments often prevents the usage of models pre-trained on publicly available datasets. To address this, we propose a novel general planning framework for UAVs to autonomously acquire informative training images for model re-training. We leverage multiple acquisition functions and fuse them into probabilistic terrain maps. Our framework combines the mapped acquisition function information into the UAV's planning objectives. In this way, the UAV adaptively acquires informative aerial images to be manually labelled for model re-training. Experimental results on real-world data and in a photorealistic simulation show that our framework maximises model performance and drastically reduces labelling efforts. Our map-based planners outperform state-of-the-art local planning.
Towards a User Privacy-Aware Mobile Gaming App Installation Prediction Model
Authors: Ido Zehori, Nevo Itzhak, Yuval Shahar, Mia Dor Schiller
Date: 2023-02-07 00:00:00
Tasks: Privacy Preserving

Over the past decade, programmatic advertising has received a great deal of attention in the online advertising industry. A real-time bidding (RTB) system is rapidly becoming the most popular method to buy and sell online advertising impressions. Within the RTB system, demand-side platforms (DSP) aim to spend advertisers' campaign budgets efficiently while maximizing profit, seeking impressions that result in high user responses, such as clicks or installs. In the current study, we investigate the process of predicting a mobile gaming app installation from the point of view of a particular DSP, while paying attention to user privacy, and exploring the trade-off between privacy preservation and model performance. There are multiple levels of potential threats to user privacy, depending on the privacy leaks associated with the data-sharing process, such as data transformation or de-anonymization. To address these concerns, privacy-preserving techniques were proposed, such as cryptographic approaches, for training privacy-aware machine-learning models. However, the ability to train a mobile gaming app installation prediction model without using user-level data, can prevent these threats and protect the users' privacy, even though the model's ability to predict may be impaired. Additionally, current laws might force companies to declare that they are collecting data, and might even give the user the option to opt out of such data collection, which might threaten companies' business models in digital advertising, which are dependent on the collection and use of user-level data. We conclude that privacy-aware models might still preserve significant capabilities, enabling companies to make better decisions, dependent on the privacy-efficacy trade-off utility function of each case.
Multi-Task Recommendations with Reinforcement Learning
Authors: Ziru Liu, Jiejie Tian, Qingpeng Cai, Xiangyu Zhao, Jingtong Gao, Shuchang Liu, Dayou Chen, Tonghao He, Dong Zheng, Peng Jiang, Kun Gai
Date: 2023-02-07 00:00:00
Tasks: Multi-Task Learning, Recommendation Systems, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

In recent years, Multi-task Learning (MTL) has yielded immense success in Recommender System (RS) applications. However, current MTL-based recommendation models tend to disregard the session-wise patterns of user-item interactions because they are predominantly constructed based on item-wise datasets. Moreover, balancing multiple objectives has always been a challenge in this field, which is typically avoided via linear estimations in existing works. To address these issues, in this paper, we propose a Reinforcement Learning (RL) enhanced MTL framework, namely RMTL, to combine the losses of different recommendation tasks using dynamic weights. To be specific, the RMTL structure can address the two aforementioned issues by (i) constructing an MTL environment from session-wise interactions and (ii) training multi-task actor-critic network structure, which is compatible with most existing MTL-based recommendation models, and (iii) optimizing and fine-tuning the MTL loss function using the weights generated by critic networks. Experiments on two real-world public datasets demonstrate the effectiveness of RMTL with a higher AUC against state-of-the-art MTL-based recommendation models. Additionally, we evaluate and validate RMTL's compatibility and transferability across various MTL models.
Attacking Cooperative Multi-Agent Reinforcement Learning by Adversarial Minority Influence
Authors: Simin Li, Jun Guo, Jingqiao Xiu, Yuwei Zheng, Pu Feng, Xin Yu, Aishan Liu, Yaodong Yang, Bo An, Wenjun Wu, Xianglong Liu
Date: 2023-02-07 00:00:00
Tasks: Continuous Control, MuJoCo, Multi-agent Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), SMAC, SMAC+, Starcraft, Starcraft II

This study probes the vulnerabilities of cooperative multi-agent reinforcement learning (c-MARL) under adversarial attacks, a critical determinant of c-MARL's worst-case performance prior to real-world implementation. Current observation-based attacks, constrained by white-box assumptions, overlook c-MARL's complex multi-agent interactions and cooperative objectives, resulting in impractical and limited attack capabilities. To address these shortcomes, we propose Adversarial Minority Influence (AMI), a practical and strong for c-MARL. AMI is a practical black-box attack and can be launched without knowing victim parameters. AMI is also strong by considering the complex multi-agent interaction and the cooperative goal of agents, enabling a single adversarial agent to unilaterally misleads majority victims to form targeted worst-case cooperation. This mirrors minority influence phenomena in social psychology. To achieve maximum deviation in victim policies under complex agent-wise interactions, our unilateral attack aims to characterize and maximize the impact of the adversary on the victims. This is achieved by adapting a unilateral agent-wise relation metric derived from mutual information, thereby mitigating the adverse effects of victim influence on the adversary. To lead the victims into a jointly detrimental scenario, our targeted attack deceives victims into a long-term, cooperatively harmful situation by guiding each victim towards a specific target, determined through a trial-and-error process executed by a reinforcement learning agent. Through AMI, we achieve the first successful attack against real-world robot swarms and effectively fool agents in simulated environments into collectively worst-case scenarios, including Starcraft II and Multi-agent Mujoco. The source code and demonstrations can be found at: https://github.com/DIG-Beihang/AMI.
Leveraging Demonstrations to Improve Online Learning: Quality Matters
Authors: Botao Hao, Rahul Jain, Tor Lattimore, Benjamin Van Roy, Zheng Wen
Date: 2023-02-07 00:00:00
Tasks: Thompson Sampling

We investigate the extent to which offline demonstration data can improve online learning. It is natural to expect some improvement, but the question is how, and by how much? We show that the degree of improvement must depend on the quality of the demonstration data. To generate portable insights, we focus on Thompson sampling (TS) applied to a multi-armed bandit as a prototypical online learning algorithm and model. The demonstration data is generated by an expert with a given competence level, a notion we introduce. We propose an informed TS algorithm that utilizes the demonstration data in a coherent way through Bayes' rule and derive a prior-dependent Bayesian regret bound. This offers insight into how pretraining can greatly improve online performance and how the degree of improvement increases with the expert's competence level. We also develop a practical, approximate informed TS algorithm through Bayesian bootstrapping and show substantial empirical regret reduction through experiments.
Federated Variational Inference Methods for Structured Latent Variable Models
Authors: Conor Hassan, Robert Salomone, Kerrie Mengersen
Date: 2023-02-07 00:00:00
Tasks: Federated Learning, Topic Models, Variational Inference

Federated learning methods enable model training across distributed data sources without data leaving their original locations and have gained increasing interest in various fields. However, existing approaches are limited, excluding many structured probabilistic models. We present a general and elegant solution based on structured variational inference, widely used in Bayesian machine learning, adapted for the federated setting. Additionally, we provide a communication-efficient variant analogous to the canonical FedAvg algorithm. The proposed algorithms' effectiveness is demonstrated, and their performance is compared with hierarchical Bayesian neural networks and topic models.
Mismatched estimation of non-symmetric rank-one matrices corrupted by structured noise
Authors: Teng Fu, Yuhao Liu, Jean Barbier, Marco Mondelli, Shansuo Liang, Tianqi Hou
Date: 2023-02-07 00:00:00

We study the performance of a Bayesian statistician who estimates a rank-one signal corrupted by non-symmetric rotationally invariant noise with a generic distribution of singular values. As the signal-to-noise ratio and the noise structure are unknown, a Gaussian setup is incorrectly assumed. We derive the exact analytic expression for the error of the mismatched Bayes estimator and also provide the analysis of an approximate message passing (AMP) algorithm. The first result exploits the asymptotic behavior of spherical integrals for rectangular matrices and of low-rank matrix perturbations; the second one relies on the design and analysis of an auxiliary AMP. The numerical experiments show that there is a performance gap between the AMP and Bayes estimators, which is due to the incorrect estimation of the signal norm.
Towards Meaningful Anomaly Detection: The Effect of Counterfactual Explanations on the Investigation of Anomalies in Multivariate Time Series
Authors: Max Schemmer, Joshua Holstein, Niklas Bauer, Niklas Kühl, Gerhard Satzger
Date: 2023-02-07 00:00:00
Tasks: Anomaly Detection, counterfactual, Time Series, Time Series Analysis

Detecting rare events is essential in various fields, e.g., in cyber security or maintenance. Often, human experts are supported by anomaly detection systems as continuously monitoring the data is an error-prone and tedious task. However, among the anomalies detected may be events that are rare, e.g., a planned shutdown of a machine, but are not the actual event of interest, e.g., breakdowns of a machine. Therefore, human experts are needed to validate whether the detected anomalies are relevant. We propose to support this anomaly investigation by providing explanations of anomaly detection. Related work only focuses on the technical implementation of explainable anomaly detection and neglects the subsequent human anomaly investigation. To address this research gap, we conduct a behavioral experiment using records of taxi rides in New York City as a testbed. Participants are asked to differentiate extreme weather events from other anomalous events such as holidays or sporting events. Our results show that providing counterfactual explanations do improve the investigation of anomalies, indicating potential for explainable anomaly detection in general.