pwc-archive/papers-with-abstracts huggingface dataset:
Semantic-Based Active Perception for Humanoid Visual Tasks with Foveal Sensors
Authors: João Luzio, Alexandre Bernardino, Plinio Moreno
Date: 2024-04-16 00:00:00

The aim of this work is to establish how accurately a recent semantic-based foveal active perception model is able to complete visual tasks that are regularly performed by humans, namely, scene exploration and visual search. This model exploits the ability of current object detectors to localize and classify a large number of object classes and to update a semantic description of a scene across multiple fixations. It has been used previously in scene exploration tasks. In this paper, we revisit the model and extend its application to visual search tasks. To illustrate the benefits of using semantic information in scene exploration and visual search tasks, we compare its performance against traditional saliency-based models. In the task of scene exploration, the semantic-based method demonstrates superior performance compared to the traditional saliency-based model in accurately representing the semantic information present in the visual scene. In visual search experiments, searching for instances of a target class in a visual field containing multiple distractors shows superior performance compared to the saliency-driven model and a random gaze selection algorithm. Our results demonstrate that semantic information, from the top-down, influences visual exploration and search tasks significantly, suggesting a potential area of research for integrating it with traditional bottom-up cues.
On the Scalability of GNNs for Molecular Graphs
Authors: Maciej Sypetkowski, Frederik Wenkel, Farimah Poursafaei, Nia Dickson, Karush Suri, Philip Fradkin, Dominique Beaini
Date: 2024-04-17 00:00:00
Tasks: Diversity, Drug Discovery, Image Generation, Language Modelling, Navigate

Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have observed a strong relationship between model size, dataset size, and performance. However, structure-based architectures such as Graph Neural Networks (GNNs) are yet to show the benefits of scale mainly due to the lower efficiency of sparse operations, large data requirements, and lack of clarity about the effectiveness of various architectures. We address this drawback of GNNs by studying their scaling behavior. Specifically, we analyze message-passing networks, graph Transformers, and hybrid architectures on the largest public collection of 2D molecular graphs. For the first time, we observe that GNNs benefit tremendously from the increasing scale of depth, width, number of molecules, number of labels, and the diversity in the pretraining datasets. We further demonstrate strong finetuning scaling behavior on 38 highly competitive downstream tasks, outclassing previous large models. This gives rise to MolGPS, a new graph foundation model that allows to navigate the chemical space, outperforming the previous state-of-the-arts on 26 out the 38 downstream tasks. We hope that our work paves the way for an era where foundational GNNs drive pharmaceutical drug discovery.
GenFighter: A Generative and Evolutive Textual Attack Removal
Authors: Md Athikul Islam, Edoardo Serra, Sushil Jajodia
Date: 2024-04-17 00:00:00
Tasks: Adversarial Robustness, Transfer Learning

Adversarial attacks pose significant challenges to deep neural networks (DNNs) such as Transformer models in natural language processing (NLP). This paper introduces a novel defense strategy, called GenFighter, which enhances adversarial robustness by learning and reasoning on the training classification distribution. GenFighter identifies potentially malicious instances deviating from the distribution, transforms them into semantically equivalent instances aligned with the training data, and employs ensemble techniques for a unified and robust response. By conducting extensive experiments, we show that GenFighter outperforms state-of-the-art defenses in accuracy under attack and attack success rate metrics. Additionally, it requires a high number of queries per attack, making the attack more challenging in real scenarios. The ablation study shows that our approach integrates transfer learning, a generative/evolutive procedure, and an ensemble method, providing an effective defense against NLP adversarial attacks.
A Comparison of Traditional and Deep Learning Methods for Parameter Estimation of the Ornstein-Uhlenbeck Process
Authors: Jacob Fein-Ashley
Date: 2024-04-17 00:00:00
Tasks: parameter estimation

We consider the Ornstein-Uhlenbeck (OU) process, a stochastic process widely used in finance, physics, and biology. Parameter estimation of the OU process is a challenging problem. Thus, we review traditional tracking methods and compare them with novel applications of deep learning to estimate the parameters of the OU process. We use a multi-layer perceptron to estimate the parameters of the OU process and compare its performance with traditional parameter estimation methods, such as the Kalman filter and maximum likelihood estimation. We find that the multi-layer perceptron can accurately estimate the parameters of the OU process given a large dataset of observed trajectories and, on average, outperforms traditional parameter estimation methods.
VC Theory for Inventory Policies
Authors: Yaqi Xie, Will Ma, Linwei Xin
Date: 2024-04-17 00:00:00
Tasks: Management

Advances in computational power and AI have increased interest in reinforcement learning approaches to inventory management. This paper provides a theoretical foundation for these approaches and investigates the benefits of restricting to policy structures that are well-established by inventory theory. In particular, we prove generalization guarantees for learning several well-known classes of inventory policies, including base-stock and (s, S) policies, by leveraging the celebrated Vapnik-Chervonenkis (VC) theory. We apply the Pseudo-dimension and Fat-shattering dimension from VC theory to determine the generalization error of inventory policies, that is, the difference between an inventory policy's performance on training data and its expected performance on unseen data. We focus on a classical setting without contexts, but allow for an arbitrary distribution over demand sequences and do not make any assumptions such as independence over time. We corroborate our supervised learning results using numerical simulations. Managerially, our theory and simulations translate to the following insights. First, there is a principle of ``learning less is more'' in inventory management: depending on the amount of data available, it may be beneficial to restrict oneself to a simpler, albeit suboptimal, class of inventory policies to minimize overfitting errors. Second, the number of parameters in a policy class may not be the correct measure of overfitting error: in fact, the class of policies defined by T time-varying base-stock levels exhibits a generalization error an order of magnitude lower than that of the two-parameter (s, S) policy class. Finally, our research suggests situations in which it could be beneficial to incorporate the concepts of base-stock and inventory position into black-box learning machines, instead of having these machines directly learn the order quantity actions.
A Federated Learning Approach to Privacy Preserving Offensive Language Identification
Authors: Marcos Zampieri, Damith Premasiri, Tharindu Ranasinghe
Date: 2024-04-17 00:00:00
Tasks: Federated Learning, Language Identification, Privacy Preserving

The spread of various forms of offensive speech online is an important concern in social media. While platforms have been investing heavily in ways of coping with this problem, the question of privacy remains largely unaddressed. Models trained to detect offensive language on social media are trained and/or fine-tuned using large amounts of data often stored in centralized servers. Since most social media data originates from end users, we propose a privacy preserving decentralized architecture for identifying offensive language online by introducing Federated Learning (FL) in the context of offensive language identification. FL is a decentralized architecture that allows multiple models to be trained locally without the need for data sharing hence preserving users' privacy. We propose a model fusion approach to perform FL. We trained multiple deep learning models on four publicly available English benchmark datasets (AHSD, HASOC, HateXplain, OLID) and evaluated their performance in detail. We also present initial cross-lingual experiments in English and Spanish. We show that the proposed model fusion approach outperforms baselines in all the datasets while preserving privacy.
AI-Enhanced Cognitive Behavioral Therapy: Deep Learning and Large Language Models for Extracting Cognitive Pathways from Social Media Texts
Authors: Meng Jiang, Yi Jing Yu, Qing Zhao, Jianqiang Li, Changwei Song, Hongzhi Qi, Wei Zhai, Dan Luo, Xiaoqin Wang, Guanghui Fu, Bing Xiang Yang
Date: 2024-04-17 00:00:00
Tasks: Deep Learning, Hallucination, text-classification, Text Classification, Text Summarization

Cognitive Behavioral Therapy (CBT) is an effective technique for addressing the irrational thoughts stemming from mental illnesses, but it necessitates precise identification of cognitive pathways to be successfully implemented in patient care. In current society, individuals frequently express negative emotions on social media on specific topics, often exhibiting cognitive distortions, including suicidal behaviors in extreme cases. Yet, there is a notable absence of methodologies for analyzing cognitive pathways that could aid psychotherapists in conducting effective interventions online. In this study, we gathered data from social media and established the task of extracting cognitive pathways, annotating the data based on a cognitive theoretical framework. We initially categorized the task of extracting cognitive pathways as a hierarchical text classification with four main categories and nineteen subcategories. Following this, we structured a text summarization task to help psychotherapists quickly grasp the essential information. Our experiments evaluate the performance of deep learning and large language models (LLMs) on these tasks. The results demonstrate that our deep learning method achieved a micro-F1 score of 62.34% in the hierarchical text classification task. Meanwhile, in the text summarization task, GPT-4 attained a Rouge-1 score of 54.92 and a Rouge-2 score of 30.86, surpassing the experimental deep learning model's performance. However, it may suffer from an issue of hallucination. We have made all models and codes publicly available to support further research in this field.
Exploring Key Point Analysis with Pairwise Generation and Graph Partitioning
Authors: Xiao Li, Yong Jiang, Shen Huang, Pengjun Xie, Gong Cheng, Fei Huang
Date: 2024-04-17 00:00:00
Tasks: Argument Mining, graph partitioning, Semantic Similarity, Semantic Textual Similarity

Key Point Analysis (KPA), the summarization of multiple arguments into a concise collection of key points, continues to be a significant and unresolved issue within the field of argument mining. Existing models adapt a two-stage pipeline of clustering arguments or generating key points for argument clusters. This approach rely on semantic similarity instead of measuring the existence of shared key points among arguments. Additionally, it only models the intra-cluster relationship among arguments, disregarding the inter-cluster relationship between arguments that do not share key points. To address these limitations, we propose a novel approach for KPA with pairwise generation and graph partitioning. Our objective is to train a generative model that can simultaneously provide a score indicating the presence of shared key point between a pair of arguments and generate the shared key point. Subsequently, to map generated redundant key points to a concise set of key points, we proceed to construct an arguments graph by considering the arguments as vertices, the generated key points as edges, and the scores as edge weights. We then propose a graph partitioning algorithm to partition all arguments sharing the same key points to the same subgraph. Notably, our experimental findings demonstrate that our proposed model surpasses previous models when evaluated on both the ArgKP and QAM datasets.
Fast Polypharmacy Side Effect Prediction Using Tensor Factorisation
Authors: Oliver Lloyd, Yi Liu, Tom R. Gaunt
Date: 2024-04-17 00:00:00
Tasks: Graph Neural Network, Prediction

Motivation: Adverse reactions from drug combinations are increasingly common, making their accurate prediction a crucial challenge in modern medicine. Laboratory-based identification of these reactions is insufficient due to the combinatorial nature of the problem. While many computational approaches have been proposed, tensor factorisation models have shown mixed results, necessitating a thorough investigation of their capabilities when properly optimized. Results: We demonstrate that tensor factorisation models can achieve state-of-the-art performance on polypharmacy side effect prediction, with our best model (SimplE) achieving median scores of 0.978 AUROC, 0.971 AUPRC, and 1.000 AP@50 across 963 side effects. Notably, this model reaches 98.3\% of its maximum performance after just two epochs of training (approximately 4 minutes), making it substantially faster than existing approaches while maintaining comparable accuracy. We also find that incorporating monopharmacy data as self-looping edges in the graph performs marginally better than using it to initialize embeddings. Availability and Implementation: All code used in the experiments is available in our GitHub repository (https://doi.org/10.5281/zenodo.10684402). The implementation was carried out using Python 3.8.12 with PyTorch 1.7.1, accelerated with CUDA 11.4 on NVIDIA GeForce RTX 2080 Ti GPUs. Contact: oliver.lloyd@bristol.ac.uk Supplementary information: Supplementary data, including precision-recall curves and F1 curves for the best performing model, are available at Bioinformatics online.
Distributed Fractional Bayesian Learning for Adaptive Optimization
Authors: Yaqun Yang, Jinlong Lei, Guanghui Wen, Yiguang Hong
Date: 2024-04-17 00:00:00
Tasks: Distributed Optimization

This paper considers a distributed adaptive optimization problem, where all agents only have access to their local cost functions with a common unknown parameter, whereas they mean to collaboratively estimate the true parameter and find the optimal solution over a connected network. A general mathematical framework for such a problem has not been studied yet. We aim to provide valuable insights for addressing parameter uncertainty in distributed optimization problems and simultaneously find the optimal solution. Thus, we propose a novel Prediction while Optimization scheme, which utilizes distributed fractional Bayesian learning through weighted averaging on the log-beliefs to update the beliefs of unknown parameters, and distributed gradient descent for renewing the estimation of the optimal solution. Then under suitable assumptions, we prove that all agents' beliefs and decision variables converge almost surely to the true parameter and the optimal solution under the true parameter, respectively. We further establish a sublinear convergence rate for the belief sequence. Finally, numerical experiments are implemented to corroborate the theoretical analysis.
Toward Understanding the Disagreement Problem in Neural Network Feature Attribution
Authors: Niklas Koenen, Marvin N. Wright
Date: 2024-04-17 00:00:00

In recent years, neural networks have demonstrated their remarkable ability to discern intricate patterns and relationships from raw data. However, understanding the inner workings of these black box models remains challenging, yet crucial for high-stake decisions. Among the prominent approaches for explaining these black boxes are feature attribution methods, which assign relevance or contribution scores to each input variable for a model prediction. Despite the plethora of proposed techniques, ranging from gradient-based to backpropagation-based methods, a significant debate persists about which method to use. Various evaluation metrics have been proposed to assess the trustworthiness or robustness of their results. However, current research highlights disagreement among state-of-the-art methods in their explanations. Our work addresses this confusion by investigating the explanations' fundamental and distributional behavior. Additionally, through a comprehensive simulation study, we illustrate the impact of common scaling and encoding techniques on the explanation quality, assess their efficacy across different effect sizes, and demonstrate the origin of inconsistency in rank-based evaluation metrics.
Use of Parallel Explanatory Models to Enhance Transparency of Neural Network Configurations for Cell Degradation Detection
Authors: David Mulvey, Chuan Heng Foh, Muhammad Ali Imran, Rahim Tafazolli
Date: 2024-04-17 00:00:00

In a previous paper, we have shown that a recurrent neural network (RNN) can be used to detect cellular network radio signal degradations accurately. We unexpectedly found, though, that accuracy gains diminished as we added layers to the RNN. To investigate this, in this paper, we build a parallel model to illuminate and understand the internal operation of neural networks, such as the RNN, which store their internal state in order to process sequential inputs. This model is widely applicable in that it can be used with any input domain where the inputs can be represented by a Gaussian mixture. By looking at the RNN processing from a probability density function perspective, we are able to show how each layer of the RNN transforms the input distributions to increase detection accuracy. At the same time we also discover a side effect acting to limit the improvement in accuracy. To demonstrate the fidelity of the model we validate it against each stage of RNN processing as well as the output predictions. As a result, we have been able to explain the reasons for the RNN performance limits with useful insights for future designs for RNNs and similar types of neural network.
Quantum-inspired Techniques in Tensor Networks for Industrial Contexts
Authors: Alejandro Mata Ali, Iñigo Perez Delgado, Aitor Moreno Fdez. de Leceta
Date: 2024-04-17 00:00:00
Tasks: Tensor Networks

In this paper we present a study of the applicability and feasibility of quantum-inspired algorithms and techniques in tensor networks for industrial environments and contexts, with a compilation of the available literature and an analysis of the use cases that may be affected by such methods. In addition, we explore the limitations of such techniques in order to determine their potential scalability.
Analytical results for uncertainty propagation through trained machine learning regression models
Authors: Andrew Thompson
Date: 2024-04-17 00:00:00
Tasks: Computational Efficiency, Gaussian Processes, regression, Uncertainty Quantification

Machine learning (ML) models are increasingly being used in metrology applications. However, for ML models to be credible in a metrology context they should be accompanied by principled uncertainty quantification. This paper addresses the challenge of uncertainty propagation through trained/fixed machine learning (ML) regression models. Analytical expressions for the mean and variance of the model output are obtained/presented for certain input data distributions and for a variety of ML models. Our results cover several popular ML models including linear regression, penalised linear regression, kernel ridge regression, Gaussian Processes (GPs), support vector machines (SVMs) and relevance vector machines (RVMs). We present numerical experiments in which we validate our methods and compare them with a Monte Carlo approach from a computational efficiency point of view. We also illustrate our methods in the context of a metrology application, namely modelling the state-of-health of lithium-ion cells based upon Electrical Impedance Spectroscopy (EIS) data
LongVQ: Long Sequence Modeling with Vector Quantization on Structured Memory
Authors: Zicheng Liu, Li Wang, Siyuan Li, Zedong Wang, Haitao Lin, Stan Z. Li
Date: 2024-04-17 00:00:00
Tasks: Computational Efficiency, Language Modeling, Language Modelling, Quantization, State Space Models

Transformer models have been successful in various sequence processing tasks, but the self-attention mechanism's computational cost limits its practicality for long sequences. Although there are existing attention variants that improve computational efficiency, they have a limited ability to abstract global information effectively based on their hand-crafted mixing strategies. On the other hand, state-space models (SSMs) are tailored for long sequences but cannot capture complicated local information. Therefore, the combination of them as a unified token mixer is a trend in recent long-sequence models. However, the linearized attention degrades performance significantly even when equipped with SSMs. To address the issue, we propose a new method called LongVQ. LongVQ uses the vector quantization (VQ) technique to compress the global abstraction as a length-fixed codebook, enabling the linear-time computation of the attention matrix. This technique effectively maintains dynamic global and local patterns, which helps to complement the lack of long-range dependency issues. Our experiments on the Long Range Arena benchmark, autoregressive language modeling, and image and speech classification demonstrate the effectiveness of LongVQ. Our model achieves significant improvements over other sequence models, including variants of Transformers, Convolutions, and recent State Space Models.
Learning epidemic trajectories through Kernel Operator Learning: from modelling to optimal control
Authors: Giovanni Ziarelli, Nicola Parolini, Marco Verani
Date: 2024-04-17 00:00:00
Tasks: Operator learning

Since infectious pathogens start spreading into a susceptible population, mathematical models can provide policy makers with reliable forecasts and scenario analyses, which can be concretely implemented or solely consulted. In these complex epidemiological scenarios, machine learning architectures can play an important role, since they directly reconstruct data-driven models circumventing the specific modelling choices and the parameter calibration, typical of classical compartmental models. In this work, we discuss the efficacy of Kernel Operator Learning (KOL) to reconstruct population dynamics during epidemic outbreaks, where the transmission rate is ruled by an input strategy. In particular, we introduce two surrogate models, named KOL-m and KOL-$\partial$, which reconstruct in two different ways the evolution of the epidemics. Moreover, we evaluate the generalization performances of the two approaches with different kernels, including the Neural Tangent Kernels, and compare them with a classical neural network model learning method. Employing synthetic but semi-realistic data, we show how the two introduced approaches are suitable for realizing fast and robust forecasts and scenario analyses, and how these approaches are competitive for determining optimal intervention strategies with respect to specific performance measures.