pwc-archive/papers-with-abstracts huggingface dataset:
Transformer-based Drum-level Prediction in a Boiler Plant with Delayed Relations among Multivariates
Authors: Gang Su, Sun Yang, Zhishuai Li
Date: 2024-07-15 00:00:00

The steam drum water level is a critical parameter that directly impacts the safety and efficiency of power plant operations. However, predicting the drum water level in boilers is challenging due to complex non-linear process dynamics originating from long-time delays and interrelations, as well as measurement noise. This paper investigates the application of Transformer-based models for predicting drum water levels in a steam boiler plant. Leveraging the capabilities of Transformer architectures, this study aims to develop an accurate and robust predictive framework to anticipate water level fluctuations and facilitate proactive control strategies. To this end, a prudent pipeline is proposed, including 1) data preprocess, 2) causal relation analysis, 3) delay inference, 4) variable augmentation, and 5) prediction. Through extensive experimentation and analysis, the effectiveness of Transformer-based approaches in steam drum water level prediction is evaluated, highlighting their potential to enhance operational stability and optimize plant performance.
Physics-embedded Fourier Neural Network for Partial Differential Equations
Authors: Qingsong Xu, Nils Thuerey, Yilei Shi, Jonathan Bamber, Chaojun Ouyang, Xiao Xiang Zhu
Date: 2024-07-15 00:00:00

We consider solving complex spatiotemporal dynamical systems governed by partial differential equations (PDEs) using frequency domain-based discrete learning approaches, such as Fourier neural operators. Despite their widespread use for approximating nonlinear PDEs, the majority of these methods neglect fundamental physical laws and lack interpretability. We address these shortcomings by introducing Physics-embedded Fourier Neural Networks (PeFNN) with flexible and explainable error control. PeFNN is designed to enforce momentum conservation and yields interpretable nonlinear expressions by utilizing unique multi-scale momentum-conserving Fourier (MC-Fourier) layers and an element-wise product operation. The MC-Fourier layer is by design translation- and rotation-invariant in the frequency domain, serving as a plug-and-play module that adheres to the laws of momentum conservation. PeFNN establishes a new state-of-the-art in solving widely employed spatiotemporal PDEs and generalizes well across input resolutions. Further, we demonstrate its outstanding performance for challenging real-world applications such as large-scale flood simulations.
Lessons from a human-in-the-loop machine learning approach for identifying vacant, abandoned, and deteriorated properties in Savannah, Georgia
Authors: Xiaofan Liang, Brian Brainerd, Tara Hicks, Clio Andris
Date: 2024-07-15 00:00:00

Addressing strategies for managing vacant, abandoned, and deteriorated (VAD) properties is important for maintaining healthy communities. Yet, the process of identifying these properties can be difficult. Here, we create a human-in-the-loop machine learning (HITLML) model called VADecide and apply it to a parcel-level case study in Savannah, Georgia. The results show a higher prediction accuracy than was achieved when using a machine learning model without human input in the training. The HITLML approach also reveals differences between machine vs. human-generated results. Our findings contribute to knowledge about the advantages and challenges of HITLML in urban planning. [Accepted for Publication at a Peer Review Journal]
SSSD-ECG-nle: New Label Embeddings with Structured State-Space Models for ECG generation
Authors: Sergey Skorik, Aram Avetisyan
Date: 2024-07-15 00:00:00
Tasks: State Space Models

An electrocardiogram (ECG) is vital for identifying cardiac diseases, offering crucial insights for diagnosing heart conditions and informing potentially life-saving treatments. However, like other types of medical data, ECGs are subject to privacy concerns when distributed and analyzed. Diffusion models have made significant progress in recent years, creating the possibility for synthesizing data comparable to the real one and allowing their widespread adoption without privacy concerns. In this paper, we use diffusion models with structured state spaces for generating digital 10-second 12-lead ECG signals. We propose the SSSD-ECG-nle architecture based on SSSD-ECG with a modified conditioning mechanism and demonstrate its efficiency on downstream tasks. We conduct quantitative and qualitative evaluations, including analyzing convergence speed, the impact of adding positive samples, and assessment with physicians' expert knowledge. Finally, we share the results of physician evaluations and also make synthetic data available to ensure the reproducibility of the experiments described.
Latent Linear Quadratic Regulator for Robotic Control Tasks
Authors: Yuan Zhang, Shaohui Yang, Toshiyuki Ohtsuka, Colin Jones, Joschka Boedecker
Date: 2024-07-15 00:00:00
Tasks: Model Predictive Control

Model predictive control (MPC) has played a more crucial role in various robotic control tasks, but its high computational requirements are concerning, especially for nonlinear dynamical models. This paper presents a $\textbf{la}$tent $\textbf{l}$inear $\textbf{q}$uadratic $\textbf{r}$egulator (LaLQR) that maps the state space into a latent space, on which the dynamical model is linear and the cost function is quadratic, allowing the efficient application of LQR. We jointly learn this alternative system by imitating the original MPC. Experiments show LaLQR's superior efficiency and generalization compared to other baselines.
PlayMolecule pKAce: Small Molecule Protonation through Equivariant Neural Networks
Authors: Nikolai Schapin, Maciej Majewski, Mariona Torrens-Fontanals, Gianni de Fabritiis
Date: 2024-07-15 00:00:00
Tasks: Computational chemistry

Small molecule protonation is an important part of the preparation of small molecules for many types of computational chemistry protocols. For this, a correct estimation of the pKa values of the protonation sites of molecules is required. In this work, we present pKAce, a new web application for the prediction of micro-pKa values of the molecules' protonation sites. We adapt the state-of-the-art, equivariant, TensorNet model originally developed for quantum mechanics energy and force predictions to the prediction of micro-pKa values. We show that an adapted version of this model can achieve state-of-the-art performance comparable with established models while trained on just a fraction of their training data.
Enhancing Electrocardiogram Signal Analysis Using NLP-Inspired Techniques: A Novel Approach with Embedding and Self-Attention
Authors: Prapti Ganguly, Wazib Ansar, Amlan Chakrabarti
Date: 2024-07-15 00:00:00
Tasks: Data Compression

A language is made up of an infinite/finite number of sentences, which in turn is composed of a number of words. The Electrocardiogram (ECG) is the most popular noninvasive medical tool for studying heart function and diagnosing various irregular cardiac rhythms. Intuitive inspection of the ECG reveals a marked similarity between ECG signals and the spoken language. As a result, the ECG signal may be thought of as a series of heartbeats (similar to sentences in a spoken language), with each heartbeat consisting of a collection of waves (similar to words in a sentence) with varying morphologies. Just as natural language processing (NLP) is used to help computers comprehend and interpret human natural language, it is conceivable to create NLP-inspired algorithms to help computers comprehend the electrocardiogram data more efficiently. In this study, we propose a novel ECG analysis technique, based on embedding and self attention, to capture the spatial as well as the temporal dependencies of the ECG data. To generate the embedding, an encoder-decoder network was proposed to capture the temporal dependencies of the ECG signal and perform data compression. The compressed and encoded data was fed to the embedding layer as its weights. Finally, the proposed CNN-LSTM-Self Attention classifier works on the embedding layer and classifies the signal as normal or anomalous. The approach was tested using the PTB-xl dataset, which is severely imbalanced. Our emphasis was to appropriately recognise the disease classes present in minority numbers, in order to limit the detection of False Negative cases. An accuracy of 91% was achieved with a good F1-score for all the disease classes. Additionally, the the size of the model was reduced by 34% due to compression, making it suitable for deployment in real time applications
SENTINEL: Securing Indoor Localization against Adversarial Attacks with Capsule Neural Networks
Authors: Danish Gufran, Pooja Anandathirtha, Sudeep Pasricha
Date: 2024-07-14 00:00:00
Tasks: Indoor Localization

With the increasing demand for edge device powered location-based services in indoor environments, Wi-Fi received signal strength (RSS) fingerprinting has become popular, given the unavailability of GPS indoors. However, achieving robust and efficient indoor localization faces several challenges, due to RSS fluctuations from dynamic changes in indoor environments and heterogeneity of edge devices, leading to diminished localization accuracy. While advances in machine learning (ML) have shown promise in mitigating these phenomena, it remains an open problem. Additionally, emerging threats from adversarial attacks on ML-enhanced indoor localization systems, especially those introduced by malicious or rogue access points (APs), can deceive ML models to further increase localization errors. To address these challenges, we present SENTINEL, a novel embedded ML framework utilizing modified capsule neural networks to bolster the resilience of indoor localization solutions against adversarial attacks, device heterogeneity, and dynamic RSS fluctuations. We also introduce RSSRogueLoc, a novel dataset capturing the effects of rogue APs from several real-world indoor environments. Experimental evaluations demonstrate that SENTINEL achieves significant improvements, with up to 3.5x reduction in mean error and 3.4x reduction in worst-case error compared to state-of-the-art frameworks using simulated adversarial attacks. SENTINEL also achieves improvements of up to 2.8x in mean error and 2.7x in worst-case error compared to state-of-the-art frameworks when evaluated with the real-world RSSRogueLoc dataset.
Deep Learning Activation Functions: Fixed-Shape, Parametric, Adaptive, Stochastic, Miscellaneous, Non-Standard, Ensemble
Authors: M. M. Hammad
Date: 2024-07-14 00:00:00
Tasks: Miscellaneous

In the architecture of deep learning models, inspired by biological neurons, activation functions (AFs) play a pivotal role. They significantly influence the performance of artificial neural networks. By modulating the non-linear properties essential for learning complex patterns, AFs are fundamental in both classification and regression tasks. This paper presents a comprehensive review of various types of AFs, including fixed-shape, parametric, adaptive, stochastic/probabilistic, non-standard, and ensemble/combining types. We begin with a systematic taxonomy and detailed classification frameworks that delineates the principal characteristics of AFs and organizes them based on their structural and functional distinctions. Our in-depth analysis covers primary groups such as sigmoid-based, ReLU-based, and ELU-based AFs, discussing their theoretical foundations, mathematical formulations, and specific benefits and limitations in different contexts. We also highlight key attributes of AFs such as output range, monotonicity, and smoothness. Furthermore, we explore miscellaneous AFs that do not conform to these categories but have shown unique advantages in specialized applications. Non-standard AFs are also explored, showcasing cutting-edge variations that challenge traditional paradigms and offer enhanced adaptability and model performance. We examine strategies for combining multiple AFs to leverage complementary properties. The paper concludes with a comparative evaluation of 12 state-of-the-art AFs, using rigorous statistical and experimental methodologies to assess their efficacy. This analysis not only aids practitioners in selecting and designing the most appropriate AFs for their specific deep learning tasks but also encourages continued innovation in AF development within the machine learning community.
Explainable bank failure prediction models: Counterfactual explanations to reduce the failure risk
Authors: Seyma Gunonu, Gizem Altun, Mustafa Cavus
Date: 2024-07-14 00:00:00
Tasks: counterfactual, Counterfactual Explanation

The accuracy and understandability of bank failure prediction models are crucial. While interpretable models like logistic regression are favored for their explainability, complex models such as random forest, support vector machines, and deep learning offer higher predictive performance but lower explainability. These models, known as black boxes, make it difficult to derive actionable insights. To address this challenge, using counterfactual explanations is suggested. These explanations demonstrate how changes in input variables can alter the model output and suggest ways to mitigate bank failure risk. The key challenge lies in selecting the most effective method for generating useful counterfactuals, which should demonstrate validity, proximity, sparsity, and plausibility. The paper evaluates several counterfactual generation methods: WhatIf, Multi Objective, and Nearest Instance Counterfactual Explanation, and also explores resampling methods like undersampling, oversampling, SMOTE, and the cost sensitive approach to address data imbalance in bank failure prediction in the US. The results indicate that the Nearest Instance Counterfactual Explanation method yields higher quality counterfactual explanations, mainly using the cost sensitive approach. Overall, the Multi Objective Counterfactual and Nearest Instance Counterfactual Explanation methods outperform others regarding validity, proximity, and sparsity metrics, with the cost sensitive approach providing the most desirable counterfactual explanations. These findings highlight the variability in the performance of counterfactual generation methods across different balancing strategies and machine learning models, offering valuable strategies to enhance the utility of black box bank failure prediction models.
Empowering Graph Invariance Learning with Deep Spurious Infomax
Authors: Tianjun Yao, Yongqiang Chen, Zhenhao Chen, Kai Hu, Zhiqiang Shen, Kun Zhang
Date: 2024-07-13 00:00:00
Tasks: Inductive Bias

Recently, there has been a surge of interest in developing graph neural networks that utilize the invariance principle on graphs to generalize the out-of-distribution (OOD) data. Due to the limited knowledge about OOD data, existing approaches often pose assumptions about the correlation strengths of the underlying spurious features and the target labels. However, this prior is often unavailable and will change arbitrarily in the real-world scenarios, which may lead to severe failures of the existing graph invariance learning methods. To bridge this gap, we introduce a novel graph invariance learning paradigm, which induces a robust and general inductive bias. The paradigm is built upon the observation that the infomax principle encourages learning spurious features regardless of spurious correlation strengths. We further propose the EQuAD framework that realizes this learning paradigm and employs tailored learning objectives that provably elicit invariant features by disentangling them from the spurious features learned through infomax. Notably, EQuAD shows stable and enhanced performance across different degrees of bias in synthetic datasets and challenging real-world datasets up to $31.76\%$. Our code is available at \url{https://github.com/tianyao-aka/EQuAD}.
NeedleBench: Can LLMs Do Retrieval and Reasoning in Information-Dense Context?
Authors: Mo Li, Songyang Zhang, Taolin Zhang, Haodong Duan, Yunxin Liu, Kai Chen
Date: 2024-07-16 00:00:00
Tasks: 4k, 8k, Logical Reasoning, Mathematical Reasoning, Retrieval

The capability of large language models to handle long-context information is crucial across various real-world applications. Existing evaluation methods often rely either on real-world long texts, making it difficult to exclude the influence of models' inherent knowledge, or introduce irrelevant filler content to artificially achieve target lengths, reducing assessment effectiveness. To address these limitations, we introduce NeedleBench, a synthetic framework for assessing retrieval and reasoning performance in bilingual long-context tasks with adaptive context lengths. NeedleBench systematically embeds key data points at varying depths to rigorously test model capabilities. Tasks are categorized into two scenarios: information-sparse, featuring minimal relevant details within extensive irrelevant text to simulate simple retrieval tasks; and information-dense (the Ancestral Trace Challenge), where relevant information is continuously distributed throughout the context to simulate complex reasoning tasks. Our experiments reveal that although recent reasoning models like Deepseek-R1 and OpenAI's o3 excel in mathematical reasoning, they struggle with continuous retrieval and reasoning in information-dense scenarios, even at shorter context lengths. We also characterize a phenomenon termed 'under-thinking', where models prematurely conclude reasoning despite available information. NeedleBench thus provides critical insights and targeted tools essential for evaluating and improving LLMs' long-context capabilities. All resources are available at OpenCompass: https://github.com/open-compass/opencompass.
Localizing and Mitigating Errors in Long-form Question Answering
Authors: Rachneet Sachdeva, Yixiao Song, Mohit Iyyer, Iryna Gurevych
Date: 2024-07-16 00:00:00
Tasks: Form, Hallucination, Long Form Question Answering, Question Answering

Long-form question answering (LFQA) aims to provide thorough and in-depth answers to complex questions, enhancing comprehension. However, such detailed responses are prone to hallucinations and factual inconsistencies, challenging their faithful evaluation. This work introduces HaluQuestQA, the first hallucination dataset with localized error annotations for human-written and model-generated LFQA answers. HaluQuestQA comprises 698 QA pairs with 1.8k span-level error annotations for five different error types by expert annotators, along with preference judgments. Using our collected data, we thoroughly analyze the shortcomings of long-form answers and find that they lack comprehensiveness and provide unhelpful references. We train an automatic feedback model on this dataset that predicts error spans with incomplete information and provides associated explanations. Finally, we propose a prompt-based approach, Error-informed refinement, that uses signals from the learned feedback model to refine generated answers, which we show reduces errors and improves answer quality across multiple models. Furthermore, humans find answers generated by our approach comprehensive and highly prefer them (84%) over the baseline answers.
A Novel Lexicon for the Moral Foundation of Liberty
Authors: Oscar Araque, Lorenzo Gatti, Sergio Consoli, Kyriaki Kalimeri
Date: 2024-07-16 00:00:00

The moral value of liberty is a central concept in our inference system when it comes to taking a stance towards controversial social issues such as vaccine hesitancy, climate change, or the right to abortion. Here, we propose a novel Liberty lexicon evaluated on more than 3,000 manually annotated data both in in- and out-of-domain scenarios. As a result of this evaluation, we produce a combined lexicon that constitutes the main outcome of this work. This final lexicon incorporates information from an ensemble of lexicons that have been generated using word embedding similarity (WE) and compositional semantics (CS). Our key contributions include enriching the liberty annotations, developing a robust liberty lexicon for broader application, and revealing the complexity of expressions related to liberty across different platforms. Through the evaluation, we show that the difficulty of the task calls for designing approaches that combine knowledge, in an effort of improving the representations of learning systems.
Evaluating Task-Oriented Dialogue Consistency through Constraint Satisfaction
Authors: Tiziano Labruna, Bernardo Magnini
Date: 2024-07-16 00:00:00

Task-oriented dialogues must maintain consistency both within the dialogue itself, ensuring logical coherence across turns, and with the conversational domain, accurately reflecting external knowledge. We propose to conceptualize dialogue consistency as a Constraint Satisfaction Problem (CSP), wherein variables represent segments of the dialogue referencing the conversational domain, and constraints among variables reflect dialogue properties, including linguistic, conversational, and domain-based aspects. To demonstrate the feasibility of the approach, we utilize a CSP solver to detect inconsistencies in dialogues re-lexicalized by an LLM. Our findings indicate that: (i) CSP is effective to detect dialogue inconsistencies; and (ii) consistent dialogue re-lexicalization is challenging for state-of-the-art LLMs, achieving only a 0.15 accuracy rate when compared to a CSP solver. Furthermore, through an ablation study, we reveal that constraints derived from domain knowledge pose the greatest difficulty in being respected. We argue that CSP captures core properties of dialogue consistency that have been poorly considered by approaches based on component pipelines.
Educational Personalized Learning Path Planning with Large Language Models
Authors: Chee Ng, Yuen Fung
Date: 2024-07-16 00:00:00
Tasks: Prompt Engineering

Educational Personalized Learning Path Planning (PLPP) aims to tailor learning experiences to individual learners' needs, enhancing learning efficiency and engagement. Despite its potential, traditional PLPP systems often lack adaptability, interactivity, and transparency. This paper proposes a novel approach integrating Large Language Models (LLMs) with prompt engineering to address these challenges. By designing prompts that incorporate learner-specific information, our method guides LLMs like LLama-2-70B and GPT-4 to generate personalized, coherent, and pedagogically sound learning paths. We conducted experiments comparing our method with a baseline approach across various metrics, including accuracy, user satisfaction, and the quality of learning paths. The results show significant improvements in all areas, particularly with GPT-4, demonstrating the effectiveness of prompt engineering in enhancing PLPP. Additional long-term impact analysis further validates our method's potential to improve learner performance and retention. This research highlights the promise of LLMs and prompt engineering in advancing personalized education.