pwc-archive/papers-with-abstracts huggingface dataset:
Neural Control System for Continuous Glucose Monitoring and Maintenance
Authors: Azmine Toushik Wasi
Date: 2024-02-21 00:00:00
Tasks: Management

Precise glucose level monitoring is critical for people with diabetes to avoid serious complications. While there are several methods for continuous glucose level monitoring, research on maintenance devices is limited. To mitigate the gap, we provide a novel neural control system for continuous glucose monitoring and management that uses differential predictive control. Our approach, led by a sophisticated neural policy and differentiable modeling, constantly adjusts insulin supply in real-time, thereby improving glucose level optimization in the body. This end-to-end method maximizes efficiency, providing personalized care and improved health outcomes, as confirmed by empirical evidence. Code and data are available at: \url{https://github.com/azminewasi/NeuralCGMM}.
Large Language Models are Advanced Anonymizers
Authors: Robin Staab, Mark Vero, Mislav Balunović, Martin Vechev
Date: 2024-02-21 00:00:00
Tasks: Text Anonymization

Recent privacy research on large language models (LLMs) has shown that they achieve near-human-level performance at inferring personal data from online texts. With ever-increasing model capabilities, existing text anonymization methods are currently lacking behind regulatory requirements and adversarial threats. In this work, we take two steps to bridge this gap: First, we present a new setting for evaluating anonymization in the face of adversarial LLM inferences, allowing for a natural measurement of anonymization performance while remedying some of the shortcomings of previous metrics. Then, within this setting, we develop a novel LLM-based adversarial anonymization framework leveraging the strong inferential capabilities of LLMs to inform our anonymization procedure. We conduct a comprehensive experimental evaluation of adversarial anonymization across 13 LLMs on real-world and synthetic online texts, comparing it against multiple baselines and industry-grade anonymizers. Our evaluation shows that adversarial anonymization outperforms current commercial anonymizers both in terms of the resulting utility and privacy. We support our findings with a human study (n=50) highlighting a strong and consistent human preference for LLM-anonymized texts.
MLXP: A Framework for Conducting Replicable Experiments in Python
Authors: Michael Arbel, Alexandre Zouaoui
Date: 2024-02-21 00:00:00
Tasks: Management

Replicability in machine learning (ML) research is increasingly concerning due to the utilization of complex non-deterministic algorithms and the dependence on numerous hyper-parameter choices, such as model architecture and training datasets. Ensuring reproducible and replicable results is crucial for advancing the field, yet often requires significant technical effort to conduct systematic and well-organized experiments that yield robust conclusions. Several tools have been developed to facilitate experiment management and enhance reproducibility; however, they often introduce complexity that hinders adoption within the research community, despite being well-handled in industrial settings. To address the challenge of low adoption, we propose MLXP, an open-source, simple, and lightweight experiment management tool based on Python, available at https://github.com/inria-thoth/mlxp . MLXP streamlines the experimental process with minimal practitioner overhead while ensuring a high level of reproducibility.
Performance Improvement Bounds for Lipschitz Configurable Markov Decision Processes
Authors: Alberto Maria Metelli
Date: 2024-02-21 00:00:00

Configurable Markov Decision Processes (Conf-MDPs) have recently been introduced as an extension of the traditional Markov Decision Processes (MDPs) to model the real-world scenarios in which there is the possibility to intervene in the environment in order to configure some of its parameters. In this paper, we focus on a particular subclass of Conf-MDP that satisfies regularity conditions, namely Lipschitz continuity. We start by providing a bound on the Wasserstein distance between $\gamma$-discounted stationary distributions induced by changing policy and configuration. This result generalizes the already existing bounds both for Conf-MDPs and traditional MDPs. Then, we derive a novel performance improvement lower bound.
FLD: Fourier Latent Dynamics for Structured Motion Representation and Learning
Authors: Chenhao Li, Elijah Stanger-Jones, Steve Heim, Sangbae Kim
Date: 2024-02-21 00:00:00

Motion trajectories offer reliable references for physics-based motion learning but suffer from sparsity, particularly in regions that lack sufficient data coverage. To address this challenge, we introduce a self-supervised, structured representation and generation method that extracts spatial-temporal relationships in periodic or quasi-periodic motions. The motion dynamics in a continuously parameterized latent space enable our method to enhance the interpolation and generalization capabilities of motion learning algorithms. The motion learning controller, informed by the motion parameterization, operates online tracking of a wide range of motions, including targets unseen during training. With a fallback mechanism, the controller dynamically adapts its tracking strategy and automatically resorts to safe action execution when a potentially risky target is proposed. By leveraging the identified spatial-temporal structure, our work opens new possibilities for future advancements in general motion representation and learning algorithms.
Voice-Driven Mortality Prediction in Hospitalized Heart Failure Patients: A Machine Learning Approach Enhanced with Diagnostic Biomarkers
Authors: Nihat Ahmadli, Mehmet Ali Sarsil, Berk Mizrak, Kurtulus Karauzum, Ata Shaker, Erol Tulumen, Didar Mirzamidinov, Dilek Ural, Onur Ergen
Date: 2024-02-21 00:00:00
Tasks: Decision Making, Diagnostic, Management, Mortality Prediction

Addressing heart failure (HF) as a prevalent global health concern poses difficulties in implementing innovative approaches for enhanced patient care. Predicting mortality rates in HF patients, in particular, is difficult yet critical, necessitating individualized care, proactive management, and enabling educated decision-making to enhance outcomes. Recently, the significance of voice biomarkers coupled with Machine Learning (ML) has surged, demonstrating remarkable efficacy, particularly in predicting heart failure. The synergy of voice analysis and ML algorithms provides a non-invasive and easily accessible means to evaluate patients' health. However, there is a lack of voice biomarkers for predicting mortality rates among heart failure patients with standardized speech protocols. Here, we demonstrate a powerful and effective ML model for predicting mortality rates in hospitalized HF patients through the utilization of voice biomarkers. By seamlessly integrating voice biomarkers into routine patient monitoring, this strategy has the potential to improve patient outcomes, optimize resource allocation, and advance patient-centered HF management. In this study, a Machine Learning system, specifically a logistic regression model, is trained to predict patients' 5-year mortality rates using their speech as input. The model performs admirably and consistently, as demonstrated by cross-validation and statistical approaches (p-value < 0.001). Furthermore, integrating NT-proBNP, a diagnostic biomarker in HF, improves the model's predictive accuracy substantially.
The Expected Loss of Preconditioned Langevin Dynamics Reveals the Hessian Rank
Authors: Amitay Bar, Rotem Mulayoff, Tomer Michaeli, Ronen Talmon
Date: 2024-02-21 00:00:00

Langevin dynamics (LD) is widely used for sampling from distributions and for optimization. In this work, we derive a closed-form expression for the expected loss of preconditioned LD near stationary points of the objective function. We use the fact that at the vicinity of such points, LD reduces to an Ornstein-Uhlenbeck process, which is amenable to convenient mathematical treatment. Our analysis reveals that when the preconditioning matrix satisfies a particular relation with respect to the noise covariance, LD's expected loss becomes proportional to the rank of the objective's Hessian. We illustrate the applicability of this result in the context of neural networks, where the Hessian rank has been shown to capture the complexity of the predictor function but is usually computationally hard to probe. Finally, we use our analysis to compare SGD-like and Adam-like preconditioners and identify the regimes under which each of them leads to a lower expected loss.
Opening the Black-Box: A Systematic Review on Explainable AI in Remote Sensing
Authors: Adrian Höhl, Ivica Obadic, Miguel Ángel Fernández Torres, Hiba Najjar, Dario Oliveira, Zeynep Akata, Andreas Dengel, Xiao Xiang Zhu
Date: 2024-02-21 00:00:00

In recent years, black-box machine learning approaches have become a dominant modeling paradigm for knowledge extraction in remote sensing. Despite the potential benefits of uncovering the inner workings of these models with explainable AI, a comprehensive overview summarizing the explainable AI methods used and their objectives, findings, and challenges in remote sensing applications is still missing. In this paper, we address this gap by performing a systematic review to identify the key trends in the field and shed light on novel explainable AI approaches and emerging directions that tackle specific remote sensing challenges. We also reveal the common patterns of explanation interpretation, discuss the extracted scientific insights, and reflect on the approaches used for the evaluation of explainable AI methods. As such, our review provides a complete summary of the state-of-the-art of explainable AI in remote sensing. Further, we give a detailed outlook on the challenges and promising research directions, representing a basis for novel methodological development and a useful starting point for new researchers in the field.
Preserving Near-Optimal Gradient Sparsification Cost for Scalable Distributed Deep Learning
Authors: Daegun Yoon, Sangyoon Oh
Date: 2024-02-21 00:00:00

Communication overhead is a major obstacle to scaling distributed training systems. Gradient sparsification is a potential optimization approach to reduce the communication volume without significant loss of model fidelity. However, existing gradient sparsification methods have low scalability owing to inefficient design of their algorithms, which raises the communication overhead significantly. In particular, gradient build-up and inadequate sparsity control methods degrade the sparsification performance considerably. Moreover, communication traffic increases drastically owing to workload imbalance of gradient selection between workers. To address these challenges, we propose a novel gradient sparsification scheme called ExDyna. In ExDyna, the gradient tensor of the model comprises fined-grained blocks, and contiguous blocks are grouped into non-overlapping partitions. Each worker selects gradients in its exclusively allocated partition so that gradient build-up never occurs. To balance the workload of gradient selection between workers, ExDyna adjusts the topology of partitions by comparing the workloads of adjacent partitions. In addition, ExDyna supports online threshold scaling, which estimates the accurate threshold of gradient selection on-the-fly. Accordingly, ExDyna can satisfy the user-required sparsity level during a training period regardless of models and datasets. Therefore, ExDyna can enhance the scalability of distributed training systems by preserving near-optimal gradient sparsification cost. In experiments, ExDyna outperformed state-of-the-art sparsifiers in terms of training speed and sparsification performance while achieving high accuracy.
Contextual Molecule Representation Learning from Chemical Reaction Knowledge
Authors: Han Tang, Shikun Feng, Bicheng Lin, Yuyan Ni, Jingjing Liu, Wei-Ying Ma, Yanyan Lan
Date: 2024-02-21 00:00:00
Tasks: molecular representation, Representation Learning, Self-Supervised Learning

In recent years, self-supervised learning has emerged as a powerful tool to harness abundant unlabelled data for representation learning and has been broadly adopted in diverse areas. However, when applied to molecular representation learning (MRL), prevailing techniques such as masked sub-unit reconstruction often fall short, due to the high degree of freedom in the possible combinations of atoms within molecules, which brings insurmountable complexity to the masking-reconstruction paradigm. To tackle this challenge, we introduce REMO, a self-supervised learning framework that takes advantage of well-defined atom-combination rules in common chemistry. Specifically, REMO pre-trains graph/Transformer encoders on 1.7 million known chemical reactions in the literature. We propose two pre-training objectives: Masked Reaction Centre Reconstruction (MRCR) and Reaction Centre Identification (RCI). REMO offers a novel solution to MRL by exploiting the underlying shared patterns in chemical reactions as \textit{context} for pre-training, which effectively infers meaningful representations of common chemistry knowledge. Such contextual representations can then be utilized to support diverse downstream molecular tasks with minimum finetuning, such as affinity prediction and drug-drug interaction prediction. Extensive experimental results on MoleculeACE, ACNet, drug-drug interaction (DDI), and reaction type classification show that across all tested downstream tasks, REMO outperforms the standard baseline of single-molecule masked modeling used in current MRL. Remarkably, REMO is the pioneering deep learning model surpassing fingerprint-based methods in activity cliff benchmarks.
Deep Generative Models for Offline Policy Learning: Tutorial, Survey, and Perspectives on Future Directions
Authors: Jiayu Chen, Bhargav Ganguly, Yang Xu, Yongsheng Mei, Tian Lan, Vaneet Aggarwal
Date: 2024-02-21 00:00:00
Tasks: Decision Making, Imitation Learning, Offline RL, Sequential Decision Making

Deep generative models (DGMs) have demonstrated great success across various domains, particularly in generating texts, images, and videos using models trained from offline data. Similarly, data-driven decision-making and robotic control also necessitate learning a generator function from the offline data to serve as the strategy or policy. In this case, applying deep generative models in offline policy learning exhibits great potential, and numerous studies have explored in this direction. However, this field still lacks a comprehensive review and so developments of different branches are relatively independent. In this paper, we provide the first systematic review on the applications of deep generative models for offline policy learning. In particular, we cover five mainstream deep generative models, including Variational Auto-Encoders, Generative Adversarial Networks, Normalizing Flows, Transformers, and Diffusion Models, and their applications in both offline reinforcement learning (offline RL) and imitation learning (IL). Offline RL and IL are two main branches of offline policy learning and are widely-adopted techniques for sequential decision-making. Notably, for each type of DGM-based offline policy learning, we distill its fundamental scheme, categorize related works based on the usage of the DGM, and sort out the development process of algorithms in that field. Subsequent to the main content, we provide in-depth discussions on deep generative models and offline policy learning as a summary, based on which we present our perspectives on future research directions. This work offers a hands-on reference for the research progress in deep generative models for offline policy learning, and aims to inspire improved DGM-based offline RL or IL algorithms. For convenience, we maintain a paper list on https://github.com/LucasCJYSDL/DGMs-for-Offline-Policy-Learning.
Accuracy-Preserving Calibration via Statistical Modeling on Probability Simplex
Authors: Yasushi Esaki, Akihiro Nakamura, Keisuke Kawano, Ryoko Tokuhisa, Takuro Kutsuna
Date: 2024-02-21 00:00:00
Tasks: Classifier calibration, Uncertainty Quantification

Classification models based on deep neural networks (DNNs) must be calibrated to measure the reliability of predictions. Some recent calibration methods have employed a probabilistic model on the probability simplex. However, these calibration methods cannot preserve the accuracy of pre-trained models, even those with a high classification accuracy. We propose an accuracy-preserving calibration method using the Concrete distribution as the probabilistic model on the probability simplex. We theoretically prove that a DNN model trained on cross-entropy loss has optimality as the parameter of the Concrete distribution. We also propose an efficient method that synthetically generates samples for training probabilistic models on the probability simplex. We demonstrate that the proposed method can outperform previous methods in accuracy-preserving calibration tasks using benchmarks. The code is available at https://github.com/ToyotaCRDL/SimplexTS.
Reinforcement learning-assisted quantum architecture search for variational quantum algorithms
Authors: Akash Kundu
Date: 2024-02-21 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

A significant hurdle in the noisy intermediate-scale quantum (NISQ) era is identifying functional quantum circuits. These circuits must also adhere to the constraints imposed by current quantum hardware limitations. Variational quantum algorithms (VQAs), a class of quantum-classical optimization algorithms, were developed to address these challenges in the currently available quantum devices. However, the overall performance of VQAs depends on the initialization strategy of the variational circuit, the structure of the circuit (also known as ansatz), and the configuration of the cost function. Focusing on the structure of the circuit, in this thesis, we improve the performance of VQAs by automating the search for an optimal structure for the variational circuits using reinforcement learning (RL). Within the thesis, the optimality of a circuit is determined by evaluating its depth, the overall count of gates and parameters, and its accuracy in solving the given problem. The task of automating the search for optimal quantum circuits is known as quantum architecture search (QAS). The majority of research in QAS is primarily focused on a noiseless scenario. Yet, the impact of noise on the QAS remains inadequately explored. In this thesis, we tackle the issue by introducing a tensor-based quantum circuit encoding, restrictions on environment dynamics to explore the search space of possible circuits efficiently, an episode halting scheme to steer the agent to find shorter circuits, a double deep Q-network (DDQN) with an $\epsilon$-greedy policy for better stability. The numerical experiments on noiseless and noisy quantum hardware show that in dealing with various VQAs, our RL-based QAS outperforms existing QAS. Meanwhile, the methods we propose in the thesis can be readily adapted to address a wide range of other VQAs.
AI-Powered Predictions for Electricity Load in Prosumer Communities
Authors: Aleksei Kychkin, Georgios C. Chasparis
Date: 2024-02-21 00:00:00
Tasks: Load Forecasting, regression, Time Series

The flexibility in electricity consumption and production in communities of residential buildings, including those with renewable energy sources and energy storage (a.k.a., prosumers), can effectively be utilized through the advancement of short-term demand response mechanisms. It is known that flexibility can further be increased if demand response is performed at the level of communities of prosumers, since aggregated groups can better coordinate electricity consumption. However, the effectiveness of such short-term optimization is highly dependent on the accuracy of electricity load forecasts both for each building as well as for the whole community. Structural variations in the electricity load profile can be associated with different exogenous factors, such as weather conditions, calendar information and day of the week, as well as user behavior. In this paper, we review a wide range of electricity load forecasting techniques, that can provide significant assistance in optimizing load consumption in prosumer communities. We present and test artificial intelligence (AI) powered short-term load forecasting methodologies that operate with black-box time series models, such as Facebook's Prophet and Long Short-term Memory (LSTM) models; season-based SARIMA and smoothing Holt-Winters models; and empirical regression-based models that utilize domain knowledge. The integration of weather forecasts into data-driven time series forecasts is also tested. Results show that the combination of persistent and regression terms (adapted to the load forecasting task) achieves the best forecast accuracy.
Reasoning Algorithmically in Graph Neural Networks
Authors: Danilo Numeroso
Date: 2024-02-21 00:00:00
Tasks: Combinatorial Optimization, Edge Classification, Logical Reasoning

The development of artificial intelligence systems with advanced reasoning capabilities represents a persistent and long-standing research question. Traditionally, the primary strategy to address this challenge involved the adoption of symbolic approaches, where knowledge was explicitly represented by means of symbols and explicitly programmed rules. However, with the advent of machine learning, there has been a paradigm shift towards systems that can autonomously learn from data, requiring minimal human guidance. In light of this shift, in latest years, there has been increasing interest and efforts at endowing neural networks with the ability to reason, bridging the gap between data-driven learning and logical reasoning. Within this context, Neural Algorithmic Reasoning (NAR) stands out as a promising research field, aiming to integrate the structured and rule-based reasoning of algorithms with the adaptive learning capabilities of neural networks, typically by tasking neural models to mimic classical algorithms. In this dissertation, we provide theoretical and practical contributions to this area of research. We explore the connections between neural networks and tropical algebra, deriving powerful architectures that are aligned with algorithm execution. Furthermore, we discuss and show the ability of such neural reasoners to learn and manipulate complex algorithmic and combinatorial optimization concepts, such as the principle of strong duality. Finally, in our empirical efforts, we validate the real-world utility of NAR networks across different practical scenarios. This includes tasks as diverse as planning problems, large-scale edge classification tasks and the learning of polynomial-time approximate algorithms for NP-hard combinatorial problems. Through this exploration, we aim to showcase the potential integrating algorithmic reasoning in machine learning models.