pwc-archive/papers-with-abstracts huggingface dataset:
Adaptive function approximation based on the Discrete Cosine Transform (DCT)
Authors: Ana I. Pérez-Neira, Marc Martinez-Gost, Miguel Ángel Lagunas
Date: 2023-09-01 00:00:00

This paper studies the cosine as basis function for the approximation of univariate and continuous functions without memory. This work studies a supervised learning to obtain the approximation coefficients, instead of using the Discrete Cosine Transform (DCT). Due to the finite dynamics and orthogonality of the cosine basis functions, simple gradient algorithms, such as the Normalized Least Mean Squares (NLMS), can benefit from it and present a controlled and predictable convergence time and error misadjustment. Due to its simplicity, the proposed technique ranks as the best in terms of learning quality versus complexity, and it is presented as an attractive technique to be used in more complex supervised learning systems. Simulations illustrate the performance of the approach. This paper celebrates the 50th anniversary of the publication of the DCT by Nasir Ahmed in 1973.
Robust Online Learning over Networks
Authors: Nicola Bastianello, Diego Deplano, Mauro Franceschelli, Karl H. Johansson
Date: 2023-09-01 00:00:00

The recent deployment of multi-agent networks has enabled the distributed solution of learning problems, where agents cooperate to train a global model without sharing their local, private data. This work specifically targets some prevalent challenges inherent to distributed learning: (i) online training, i.e., the local data change over time; (ii) asynchronous agent computations; (iii) unreliable and limited communications; and (iv) inexact local computations. To tackle these challenges, we apply the Distributed Operator Theoretical (DOT) version of the Alternating Direction Method of Multipliers (ADMM), which we call "DOT-ADMM". We prove that if the DOT-ADMM operator is metric subregular, then it converges with a linear rate for a large class of (not necessarily strongly) convex learning problems toward a bounded neighborhood of the optimal time-varying solution, and characterize how such neighborhood depends on (i)-(iv). We first derive an easy-to-verify condition for ensuring the metric subregularity of an operator, followed by tutorial examples on linear and logistic regression problems. We corroborate the theoretical analysis with numerical simulations comparing DOT-ADMM with other state-of-the-art algorithms, showing that only the proposed algorithm exhibits robustness to (i)-(iv).
Geometry and Local Recovery of Global Minima of Two-layer Neural Networks at Overparameterization
Authors: Leyang Zhang, Yaoyu Zhang, Tao Luo
Date: 2023-09-01 00:00:00

Under mild assumptions, we investigate the geometry of the loss landscape for two-layer neural networks in the vicinity of global minima. Utilizing novel techniques, we demonstrate: (i) how global minima with zero generalization error become geometrically separated from other global minima as the sample size grows; and (ii) the local convergence properties and rate of gradient flow dynamics. Our results indicate that two-layer neural networks can be locally recovered in the regime of overparameterization.
Application of Deep Learning Methods in Monitoring and Optimization of Electric Power Systems
Authors: Ognjen Kundacina
Date: 2023-09-01 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, State Estimation

This PhD thesis thoroughly examines the utilization of deep learning techniques as a means to advance the algorithms employed in the monitoring and optimization of electric power systems. The first major contribution of this thesis involves the application of graph neural networks to enhance power system state estimation. The second key aspect of this thesis focuses on utilizing reinforcement learning for dynamic distribution network reconfiguration. The effectiveness of the proposed methods is affirmed through extensive experimentation and simulations.
How Does Forecasting Affect the Convergence of DRL Techniques in O-RAN Slicing?
Authors: Ahmad M. Nagib, Hatem Abou-zeid, Hossam S. Hassanein
Date: 2023-09-01 00:00:00
Tasks: Deep Reinforcement Learning, Time Series Forecasting

The success of immersive applications such as virtual reality (VR) gaming and metaverse services depends on low latency and reliable connectivity. To provide seamless user experiences, the open radio access network (O-RAN) architecture and 6G networks are expected to play a crucial role. RAN slicing, a critical component of the O-RAN paradigm, enables network resources to be allocated based on the needs of immersive services, creating multiple virtual networks on a single physical infrastructure. In the O-RAN literature, deep reinforcement learning (DRL) algorithms are commonly used to optimize resource allocation. However, the practical adoption of DRL in live deployments has been sluggish. This is primarily due to the slow convergence and performance instabilities suffered by the DRL agents both upon initial deployment and when there are significant changes in network conditions. In this paper, we investigate the impact of time series forecasting of traffic demands on the convergence of the DRL-based slicing agents. For that, we conduct an exhaustive experiment that supports multiple services including real VR gaming traffic. We then propose a novel forecasting-aided DRL approach and its respective O-RAN practical deployment workflow to enhance DRL convergence. Our approach shows up to 22.8%, 86.3%, and 300% improvements in the average initial reward value, convergence rate, and number of converged scenarios respectively, enhancing the generalizability of the DRL agents compared with the implemented baselines. The results also indicate that our approach is robust against forecasting errors and that forecasting models do not have to be ideal.
Geometry-aware Line Graph Transformer Pre-training for Molecular Property Prediction
Authors: Peizhen Bai, Xianyuan Liu, Haiping Lu
Date: 2023-09-01 00:00:00
Tasks: 3D geometry, Molecular Property Prediction, molecular representation, Property Prediction, Representation Learning, Self-Supervised Learning

Molecular property prediction with deep learning has gained much attention over the past years. Owing to the scarcity of labeled molecules, there has been growing interest in self-supervised learning methods that learn generalizable molecular representations from unlabeled data. Molecules are typically treated as 2D topological graphs in modeling, but it has been discovered that their 3D geometry is of great importance in determining molecular functionalities. In this paper, we propose the Geometry-aware line graph transformer (Galformer) pre-training, a novel self-supervised learning framework that aims to enhance molecular representation learning with 2D and 3D modalities. Specifically, we first design a dual-modality line graph transformer backbone to encode the topological and geometric information of a molecule. The designed backbone incorporates effective structural encodings to capture graph structures from both modalities. Then we devise two complementary pre-training tasks at the inter and intra-modality levels. These tasks provide properly supervised information and extract discriminative 2D and 3D knowledge from unlabeled molecules. Finally, we evaluate Galformer against six state-of-the-art baselines on twelve property prediction benchmarks via downstream fine-tuning. Experimental results show that Galformer consistently outperforms all baselines on both classification and regression tasks, demonstrating its effectiveness.
A Locality-based Neural Solver for Optical Motion Capture
Authors: Xiaoyu Pan, Bowen Zheng, Xinwei Jiang, Guanglong Xu, Xianli Gu, Jingxiang Li, Qilong Kou, He Wang, Tianjia Shao, Kun Zhou, Xiaogang Jin
Date: 2023-09-01 00:00:00
Tasks: Data Augmentation, Graph Neural Network, Representation Learning

We present a novel locality-based learning method for cleaning and solving optical motion capture data. Given noisy marker data, we propose a new heterogeneous graph neural network which treats markers and joints as different types of nodes, and uses graph convolution operations to extract the local features of markers and joints and transform them to clean motions. To deal with anomaly markers (e.g. occluded or with big tracking errors), the key insight is that a marker's motion shows strong correlations with the motions of its immediate neighboring markers but less so with other markers, a.k.a. locality, which enables us to efficiently fill missing markers (e.g. due to occlusion). Additionally, we also identify marker outliers due to tracking errors by investigating their acceleration profiles. Finally, we propose a training regime based on representation learning and data augmentation, by training the model on data with masking. The masking schemes aim to mimic the occluded and noisy markers often observed in the real data. Finally, we show that our method achieves high accuracy on multiple metrics across various datasets. Extensive comparison shows our method outperforms state-of-the-art methods in terms of prediction accuracy of occluded marker position error by approximately 20%, which leads to a further error reduction on the reconstructed joint rotations and positions by 30%. The code and data for this paper are available at https://github.com/non-void/LocalMoCap.
Advancing Personalized Federated Learning: Group Privacy, Fairness, and Beyond
Authors: Filippo Galli, Kangsoo Jung, Sayan Biswas, Catuscia Palamidessi, Tommaso Cucinotta
Date: 2023-09-01 00:00:00
Tasks: Fairness, Federated Learning, Personalized Federated Learning, Privacy Preserving

Federated learning (FL) is a framework for training machine learning models in a distributed and collaborative manner. During training, a set of participating clients process their data stored locally, sharing only the model updates obtained by minimizing a cost function over their local inputs. FL was proposed as a stepping-stone towards privacy-preserving machine learning, but it has been shown vulnerable to issues such as leakage of private information, lack of personalization of the model, and the possibility of having a trained model that is fairer to some groups than to others. In this paper, we address the triadic interaction among personalization, privacy guarantees, and fairness attained by models trained within the FL framework. Differential privacy and its variants have been studied and applied as cutting-edge standards for providing formal privacy guarantees. However, clients in FL often hold very diverse datasets representing heterogeneous communities, making it important to protect their sensitive information while still ensuring that the trained model upholds the aspect of fairness for the users. To attain this objective, a method is put forth that introduces group privacy assurances through the utilization of $d$-privacy (aka metric privacy). $d$-privacy represents a localized form of differential privacy that relies on a metric-oriented obfuscation approach to maintain the original data's topological distribution. This method, besides enabling personalized model training in a federated approach and providing formal privacy guarantees, possesses significantly better group fairness measured under a variety of standard metrics than a global model trained within a classical FL template. Theoretical justifications for the applicability are provided, as well as experimental validation on real-world datasets to illustrate the working of the proposed method.
Learning multi-modal generative models with permutation-invariant encoders and tighter variational objectives
Authors: Marcel Hirt, Domenico Campolo, Victoria Leong, Juan-Pablo Ortega
Date: 2023-09-01 00:00:00
Tasks: Mixture-of-Experts

Devising deep latent variable models for multi-modal data has been a long-standing theme in machine learning research. Multi-modal Variational Autoencoders (VAEs) have been a popular generative model class that learns latent representations that jointly explain multiple modalities. Various objective functions for such models have been suggested, often motivated as lower bounds on the multi-modal data log-likelihood or from information-theoretic considerations. To encode latent variables from different modality subsets, Product-of-Experts (PoE) or Mixture-of-Experts (MoE) aggregation schemes have been routinely used and shown to yield different trade-offs, for instance, regarding their generative quality or consistency across multiple modalities. In this work, we consider a variational objective that can tightly approximate the data log-likelihood. We develop more flexible aggregation schemes that avoid the inductive biases in PoE or MoE approaches by combining encoded features from different modalities based on permutation-invariant neural networks. Our numerical experiments illustrate trade-offs for multi-modal variational objectives and various aggregation schemes. We show that our variational objective and more flexible aggregation models can become beneficial when one wants to approximate the true joint distribution over observed modalities and latent variables in identifiable models.
Anomaly detection with semi-supervised classification based on risk estimators
Authors: Le Thi Khanh Hien, Sukanya Patra, Souhaib Ben Taieb
Date: 2023-09-01 00:00:00
Tasks: Anomaly Detection, One-Class Classification

A significant limitation of one-class classification anomaly detection methods is their reliance on the assumption that unlabeled training data only contains normal instances. To overcome this impractical assumption, we propose two novel classification-based anomaly detection methods. Firstly, we introduce a semi-supervised shallow anomaly detection method based on an unbiased risk estimator. Secondly, we present a semi-supervised deep anomaly detection method utilizing a nonnegative (biased) risk estimator. We establish estimation error bounds and excess risk bounds for both risk minimizers. Additionally, we propose techniques to select appropriate regularization parameters that ensure the nonnegativity of the empirical risk in the shallow model under specific loss functions. Our extensive experiments provide strong evidence of the effectiveness of the risk-based anomaly detection methods.
Where Did the Gap Go? Reassessing the Long-Range Graph Benchmark
Authors: Jan Tönshoff, Martin Ritzert, Eran Rosenbluth, Martin Grohe
Date: 2023-09-01 00:00:00
Tasks: Graph Classification, Graph Learning, Graph Regression, Hyperparameter Optimization, Link Prediction, Node Classification

The recent Long-Range Graph Benchmark (LRGB, Dwivedi et al. 2022) introduced a set of graph learning tasks strongly dependent on long-range interaction between vertices. Empirical evidence suggests that on these tasks Graph Transformers significantly outperform Message Passing GNNs (MPGNNs). In this paper, we carefully reevaluate multiple MPGNN baselines as well as the Graph Transformer GPS (Ramp\'a\v{s}ek et al. 2022) on LRGB. Through a rigorous empirical analysis, we demonstrate that the reported performance gap is overestimated due to suboptimal hyperparameter choices. It is noteworthy that across multiple datasets the performance gap completely vanishes after basic hyperparameter optimization. In addition, we discuss the impact of lacking feature normalization for LRGB's vision datasets and highlight a spurious implementation of LRGB's link prediction metric. The principal aim of our paper is to establish a higher standard of empirical rigor within the graph machine learning community.
FederatedScope-LLM: A Comprehensive Package for Fine-tuning Large Language Models in Federated Learning
Authors: Weirui Kuang, Bingchen Qian, Zitao Li, Daoyuan Chen, Dawei Gao, Xuchen Pan, Yuexiang Xie, Yaliang Li, Bolin Ding, Jingren Zhou
Date: 2023-09-01 00:00:00
Tasks: Benchmarking, Federated Learning, Large Language Model, parameter-efficient fine-tuning

LLMs have demonstrated great capabilities in various NLP tasks. Different entities can further improve the performance of those LLMs on their specific downstream tasks by fine-tuning LLMs. When several entities have similar interested tasks, but their data cannot be shared because of privacy concerns regulations, federated learning (FL) is a mainstream solution to leverage the data of different entities. However, fine-tuning LLMs in federated learning settings still lacks adequate support from existing FL frameworks because it has to deal with optimizing the consumption of significant communication and computational resources, data preparation for different tasks, and distinct information protection demands. This paper first discusses these challenges of federated fine-tuning LLMs, and introduces our package FS-LLM as a main contribution, which consists of the following components: (1) we build an end-to-end benchmarking pipeline, automizing the processes of dataset preprocessing, federated fine-tuning execution, and performance evaluation on federated LLM fine-tuning; (2) we provide comprehensive federated parameter-efficient fine-tuning algorithm implementations and versatile programming interfaces for future extension in FL scenarios with low communication and computation costs, even without accessing the full model; (3) we adopt several accelerating and resource-efficient operators for fine-tuning LLMs with limited resources and the flexible pluggable sub-routines for interdisciplinary study. We conduct extensive experiments to validate the effectiveness of FS-LLM and benchmark advanced LLMs with state-of-the-art parameter-efficient fine-tuning algorithms in FL settings, which also yields valuable insights into federated fine-tuning LLMs for the research community. To facilitate further research and adoption, we release FS-LLM at https://github.com/alibaba/FederatedScope/tree/llm.
Bespoke Nanoparticle Synthesis and Chemical Knowledge Discovery Via Autonomous Experimentations
Authors: Hyuk Jun Yoo, Nayeon Kim, Heeseung Lee, Daeho Kim, Leslie Tiong Ching Ow, Hyobin Nam, Chansoo Kim, Seung Yong Lee, Kwan-Young Lee, Donghun Kim, Sang Soo Han
Date: 2023-09-01 00:00:00

The optimization of nanomaterial synthesis using numerous synthetic variables is considered to be extremely laborious task because the conventional combinatorial explorations are prohibitively expensive. In this work, we report an autonomous experimentation platform developed for the bespoke design of nanoparticles (NPs) with targeted optical properties. This platform operates in a closed-loop manner between a batch synthesis module of NPs and a UV- Vis spectroscopy module, based on the feedback of the AI optimization modeling. With silver (Ag) NPs as a representative example, we demonstrate that the Bayesian optimizer implemented with the early stopping criterion can efficiently produce Ag NPs precisely possessing the desired absorption spectra within only 200 iterations (when optimizing among five synthetic reagents). In addition to the outstanding material developmental efficiency, the analysis of synthetic variables further reveals a novel chemistry involving the effects of citrate in Ag NP synthesis. The amount of citrate is a key to controlling the competitions between spherical and plate-shaped NPs and, as a result, affects the shapes of the absorption spectra as well. Our study highlights both capabilities of the platform to enhance search efficiencies and to provide a novel chemical knowledge by analyzing datasets accumulated from the autonomous experimentations.
Multitask Deep Learning for Accurate Risk Stratification and Prediction of Next Steps for Coronary CT Angiography Patients
Authors: Juan lu, Mohammed Bennamoun, Jonathon Stewart, JasonK. Eshraghian, Yanbin Liu, Benjamin Chow, Frank M. Sanfilippo, Girish Dwivedi
Date: 2023-09-01 00:00:00
Tasks: Decision Making, Deep Learning, Diagnostic, Multi-Task Learning

Diagnostic investigation has an important role in risk stratification and clinical decision making of patients with suspected and documented Coronary Artery Disease (CAD). However, the majority of existing tools are primarily focused on the selection of gatekeeper tests, whereas only a handful of systems contain information regarding the downstream testing or treatment. We propose a multi-task deep learning model to support risk stratification and down-stream test selection for patients undergoing Coronary Computed Tomography Angiography (CCTA). The analysis included 14,021 patients who underwent CCTA between 2006 and 2017. Our novel multitask deep learning framework extends the state-of-the art Perceiver model to deal with real-world CCTA report data. Our model achieved an Area Under the receiver operating characteristic Curve (AUC) of 0.76 in CAD risk stratification, and 0.72 AUC in predicting downstream tests. Our proposed deep learning model can accurately estimate the likelihood of CAD and provide recommended downstream tests based on prior CCTA data. In clinical practice, the utilization of such an approach could bring a paradigm shift in risk stratification and downstream management. Despite significant progress using deep learning models for tabular data, they do not outperform gradient boosting decision trees, and further research is required in this area. However, neural networks appear to benefit more readily from multi-task learning than tree-based models. This could offset the shortcomings of using single task learning approach when working with tabular data.
Mi-Go: Test Framework which uses YouTube as Data Source for Evaluating Speech Recognition Models like OpenAI's Whisper
Authors: Tomasz Wojnar, Jaroslaw Hryszko, Adam Roman
Date: 2023-09-01 00:00:00
Tasks: speech-recognition, Speech Recognition

This article introduces Mi-Go, a novel testing framework aimed at evaluating the performance and adaptability of general-purpose speech recognition machine learning models across diverse real-world scenarios. The framework leverages YouTube as a rich and continuously updated data source, accounting for multiple languages, accents, dialects, speaking styles, and audio quality levels. To demonstrate the effectiveness of the framework, the Whisper model, developed by OpenAI, was employed as a test object. The tests involve using a total of 124 YouTube videos to test all Whisper model versions. The results underscore the utility of YouTube as a valuable testing platform for speech recognition models, ensuring their robustness, accuracy, and adaptability to diverse languages and acoustic conditions. Additionally, by contrasting the machine-generated transcriptions against human-made subtitles, the Mi-Go framework can help pinpoint potential misuse of YouTube subtitles, like Search Engine Optimization.