pwc-archive/papers-with-abstracts huggingface dataset:
A comparative study of NeuralODE and Universal ODE approaches to solving Chandrasekhar White Dwarf equation
Authors: Raymundo Vazquez Martinez, Raj Abhijit Dandekar, Rajat Dandekar, Sreedath Panat
Date: 2024-10-19 00:00:00
Tasks: Astronomy, Hyperparameter Optimization

In this study, we apply two pillars of Scientific Machine Learning: Neural Ordinary Differential Equations (Neural ODEs) and Universal Differential Equations (UDEs) to the Chandrasekhar White Dwarf Equation (CWDE). The CWDE is fundamental for understanding the life cycle of a star, and describes the relationship between the density of the white dwarf and its distance from the center. Despite the rise in Scientific Machine Learning frameworks, very less attention has been paid to the systematic applications of the above SciML pillars on astronomy based ODEs. Through robust modeling in the Julia programming language, we show that both Neural ODEs and UDEs can be used effectively for both prediction as well as forecasting of the CWDE. More importantly, we introduce the forecasting breakdown point - the time at which forecasting fails for both Neural ODEs and UDEs. Through a robust hyperparameter optimization testing, we provide insights on the neural network architecture, activation functions and optimizers which provide the best results. This study provides opens a door to investigate the applicability of Scientific Machine Learning frameworks in forecasting tasks for a wide range of scientific domains.
Improving Pronunciation and Accent Conversion through Knowledge Distillation And Synthetic Ground-Truth from Native TTS
Authors: Tuan Nam Nguyen, Seymanur Aktı, Ngoc Quan Pham, Alexander Waibel
Date: 2024-10-19 00:00:00
Tasks: Knowledge Distillation

Previous approaches on accent conversion (AC) mainly aimed at making non-native speech sound more native while maintaining the original content and speaker identity. However, non-native speakers sometimes have pronunciation issues, which can make it difficult for listeners to understand them. Hence, we developed a new AC approach that not only focuses on accent conversion but also improves pronunciation of non-native accented speaker. By providing the non-native audio and the corresponding transcript, we generate the ideal ground-truth audio with native-like pronunciation with original duration and prosody. This ground-truth data aids the model in learning a direct mapping between accented and native speech. We utilize the end-to-end VITS framework to achieve high-quality waveform reconstruction for the AC task. As a result, our system not only produces audio that closely resembles native accents and while retaining the original speaker's identity but also improve pronunciation, as demonstrated by evaluation results.
AutoFPDesigner: Automated Flight Procedure Design Based on Multi-Agent Large Language Model
Authors: Longtao Zhu, Hongyu Yang, Ge Song, Xin Ma, Yanxin Zhang, Yulong Ji
Date: 2024-10-19 00:00:00
Tasks: Language Modeling, Language Modelling, Large Language Model

Current flight procedure design methods heavily rely on human-led design process, which is not only low auto-mation but also suffer from complex algorithm modelling and poor generalization. To address these challenges, this paper proposes an agent-driven flight procedure design method based on large language model, named Au-toFPDesigner, which utilizes multi-agent collaboration to complete procedure design. The method enables end-to-end automated design of performance-based navigation (PBN) procedures. In this process, the user input the design requirements in natural language, AutoFPDesigner models the flight procedure design by loading the design speci-fications and utilizing tool libraries complete the design. AutoFPDesigner allows users to oversee and seamlessly participate in the design process. Experimental results show that AutoFPDesigner ensures nearly 100% safety in the designed flight procedures and achieves 75% task completion rate, with good adaptability across different design tasks. AutoFPDesigner introduces a new paradigm for flight procedure design and represents a key step towards the automation of this process. Keywords: Flight Procedure Design; Large Language Model; Performance-Based Navigation (PBN); Multi Agent;
NeuralMAG: Fast and Generalizable Micromagnetic Simulation with Deep Neural Nets
Authors: Yunqi Cai, Jiangnan Li, Dong Wang
Date: 2024-10-19 00:00:00

Micromagnetics has made significant strides, particularly due to its wide-ranging applications in magnetic storage design. Numerical simulation is a cornerstone of micromagnetics research, relying on first-principle rules to compute the dynamic evolution of micromagnetic systems based on the renowned LLG equation, named after Landau, Lifshitz, and Gilbert. However, simulations are often hindered by their slow speed. Although Fast-Fourier transformation (FFT) calculations reduce the computational complexity to O(NlogN), it remains impractical for large-scale simulations. In this paper, we introduce NeuralMAG, a deep learning approach to micromagnetic simulation. Our approach follows the LLG iterative framework but accelerates demagnetizing field computation through the employment of a U-shaped neural network (Unet). The Unet architecture comprises an encoder that extracts aggregated spins at various scales and learns the local interaction at each scale, followed by a decoder that accumulates the local interactions at different scales to approximate the global convolution. This divide-and-accumulate scheme achieves a time complexity of O(N), significantly enhancing the speed and feasibility of large-scale simulations. Unlike existing neural methods, NeuralMAG concentrates on the core computation rather than an end-to-end approximation for a specific task, making it inherently generalizable. To validate the new approach, we trained a single model and evaluated it on two micromagnetics tasks with various sample sizes, shapes, and material settings.
Do Large Language Models Truly Grasp Mathematics? An Empirical Exploration From Cognitive Psychology
Authors: Wei Xie, Shuoyoucheng Ma, Zhenhua Wang, Enze Wang, Kai Chen, Xiaobing Sun, Baosheng Wang
Date: 2024-10-19 00:00:00
Tasks: Logical Reasoning, Math, Mathematical Reasoning

The cognitive mechanism by which Large Language Models (LLMs) solve mathematical problems remains a widely debated and unresolved issue. Currently, there is little interpretable experimental evidence that connects LLMs' problem-solving with human cognitive psychology.To determine if LLMs possess human-like mathematical reasoning, we modified the problems used in the human Cognitive Reflection Test (CRT). Our results show that, even with the use of Chains of Thought (CoT) prompts, mainstream LLMs, including the latest o1 model (noted for its reasoning capabilities), have a high error rate when solving these modified CRT problems. Specifically, the average accuracy rate dropped by up to 50% compared to the original questions.Further analysis of LLMs' incorrect answers suggests that they primarily rely on pattern matching from their training data, which aligns more with human intuition (System 1 thinking) rather than with human-like reasoning (System 2 thinking). This finding challenges the belief that LLMs have genuine mathematical reasoning abilities comparable to humans. As a result, this work may adjust overly optimistic views on LLMs' progress towards artificial general intelligence.
Reflexive Guidance: Improving OoDD in Vision-Language Models via Self-Guided Image-Adaptive Concept Generation
Authors: Seulbi Lee, Jihyo Kim, Sangheum Hwang
Date: 2024-10-19 00:00:00
Tasks: image-classification, Image Classification, Out-of-Distribution Detection

With the recent emergence of foundation models trained on internet-scale data and demonstrating remarkable generalization capabilities, such foundation models have become more widely adopted, leading to an expanding range of application domains. Despite this rapid proliferation, the trustworthiness of foundation models remains underexplored. Specifically, the out-of-distribution detection (OoDD) capabilities of large vision-language models (LVLMs), such as GPT-4o, which are trained on massive multi-modal data, have not been sufficiently addressed. The disparity between their demonstrated potential and practical reliability raises concerns regarding the safe and trustworthy deployment of foundation models. To address this gap, we evaluate and analyze the OoDD capabilities of various proprietary and open-source LVLMs. Our investigation contributes to a better understanding of how these foundation models represent confidence scores through their generated natural language responses. Based on our observations, we propose a self-guided prompting approach, termed \emph{Reflexive Guidance (ReGuide)}, aimed at enhancing the OoDD capability of LVLMs by leveraging self-generated image-adaptive concept suggestions. Experimental results demonstrate that our ReGuide enhances the performance of current LVLMs in both image classification and OoDD tasks.
BrainECHO: Semantic Brain Signal Decoding through Vector-Quantized Spectrogram Reconstruction for Whisper-Enhanced Text Generation
Authors: Jilong Li, Zhenxi Song, Jiaqi Wang, Meishan Zhang, Honghai Liu, Min Zhang, Zhiguo Zhang
Date: 2024-10-19 00:00:00
Tasks: EEG, Representation Learning, Sentence, Text Generation

Current EEG/MEG-to-text decoding systems suffer from three key limitations: (1) reliance on teacher-forcing methods, which compromises robustness during inference, (2) sensitivity to session-specific noise, hindering generalization across subjects, and (3) misalignment between brain signals and linguistic representations due to pre-trained language model over-dominance. To overcome these challenges, we propose BrainECHO (Brain signal decoding via vEctor-quantized speCtrogram reconstruction for WHisper-enhanced text generatiOn), a multi-stage framework that employs decoupled representation learning to achieve state-of-the-art performance on both EEG and MEG datasets. Specifically, BrainECHO consists of three stages: (1) Discrete autoencoding, which transforms continuous Mel spectrograms into a finite set of high-quality discrete representations for subsequent stages. (2) Frozen alignment, where brain signal embeddings are mapped to corresponding Mel spectrogram embeddings in a frozen latent space, effectively filtering session-specific noise through vector-quantized reconstruction, yielding a 3.65% improvement in BLEU-4 score. (3) Constrained decoding fine-tuning, which leverages the pre-trained Whisper model for audio-to-text translation, balancing signal adaptation with knowledge preservation, and achieving 74%-89% decoding BLEU scores without excessive reliance on teacher forcing. BrainECHO demonstrates robustness across sentence, session, and subject-independent conditions, passing Gaussian noise tests and showcasing its potential for enhancing language-based brain-computer interfaces.
Taming the Long Tail in Human Mobility Prediction
Authors: Xiaohang Xu, Renhe Jiang, Chuang Yang, Zipei Fan, Kaoru Sezaki
Date: 2024-10-19 00:00:00
Tasks: Prediction, Recommendation Systems

With the popularity of location-based services, human mobility prediction plays a key role in enhancing personalized navigation, optimizing recommendation systems, and facilitating urban mobility and planning. This involves predicting a user's next POI (point-of-interest) visit using their past visit history. However, the uneven distribution of visitations over time and space, namely the long-tail problem in spatial distribution, makes it difficult for AI models to predict those POIs that are less visited by humans. In light of this issue, we propose the Long-Tail Adjusted Next POI Prediction (LoTNext) framework for mobility prediction, combining a Long-Tailed Graph Adjustment module to reduce the impact of the long-tailed nodes in the user-POI interaction graph and a novel Long-Tailed Loss Adjustment module to adjust loss by logit score and sample weight adjustment strategy. Also, we employ the auxiliary prediction task to enhance generalization and accuracy. Our experiments with two real-world trajectory datasets demonstrate that LoTNext significantly surpasses existing state-of-the-art works.
LangGFM: A Large Language Model Alone Can be a Powerful Graph Foundation Model
Authors: Tianqianjin Lin, Pengwei Yan, Kaisong Song, Zhuoren Jiang, Yangyang Kang, Jun Lin, Weikang Yuan, Junjie Cao, Changlong Sun, Xiaozhong Liu
Date: 2024-10-19 00:00:00
Tasks: Diversity, Graph Learning, Language Modeling, Language Modelling, Large Language Model, model, Self-Supervised Learning

Graph foundation models (GFMs) have recently gained significant attention. However, the unique data processing and evaluation setups employed by different studies hinder a deeper understanding of their progress. Additionally, current research tends to focus on specific subsets of graph learning tasks, such as structural tasks, node-level tasks, or classification tasks. As a result, they often incorporate specialized modules tailored to particular task types, losing their applicability to other graph learning tasks and contradicting the original intent of foundation models to be universal. Therefore, to enhance consistency, coverage, and diversity across domains, tasks, and research interests within the graph learning community in the evaluation of GFMs, we propose GFMBench-a systematic and comprehensive benchmark comprising 26 datasets. Moreover, we introduce LangGFM, a novel GFM that relies entirely on large language models. By revisiting and exploring the effective graph textualization principles, as well as repurposing successful techniques from graph augmentation and graph self-supervised learning within the language space, LangGFM achieves performance on par with or exceeding the state of the art across GFMBench, which can offer us new perspectives, experiences, and baselines to drive forward the evolution of GFMs.
Offline-to-online Reinforcement Learning for Image-based Grasping with Scarce Demonstrations
Authors: Bryan Chan, Anson Leung, James Bergstra
Date: 2024-10-19 00:00:00
Tasks: Behavioural cloning

Offline-to-online reinforcement learning (O2O RL) aims to obtain a continually improving policy as it interacts with the environment, while ensuring the initial policy behaviour is satisficing. This satisficing behaviour is necessary for robotic manipulation where random exploration can be costly due to catastrophic failures and time. O2O RL is especially compelling when we can only obtain a scarce amount of (potentially suboptimal) demonstrations$\unicode{x2014}$a scenario where behavioural cloning (BC) is known to suffer from distribution shift. Previous works have outlined the challenges in applying O2O RL algorithms under the image-based environments. In this work, we propose a novel O2O RL algorithm that can learn in a real-life image-based robotic vacuum grasping task with a small number of demonstrations where BC fails majority of the time. The proposed algorithm replaces the target network in off-policy actor-critic algorithms with a regularization technique inspired by neural tangent kernel. We demonstrate that the proposed algorithm can reach above 90\% success rate in under two hours of interaction time, with only 50 human demonstrations, while BC and existing commonly-used RL algorithms fail to achieve similar performance.
LSS-SKAN: Efficient Kolmogorov-Arnold Networks based on Single-Parameterized Function
Authors: Zhijie Chen, Xinglin Zhang
Date: 2024-10-19 00:00:00
Tasks: Kolmogorov-Arnold Networks

The recently proposed Kolmogorov-Arnold Networks (KAN) networks have attracted increasing attention due to their advantage of high visualizability compared to MLP. In this paper, based on a series of small-scale experiments, we proposed the Efficient KAN Expansion Principle (EKE Principle): allocating parameters to expand network scale, rather than employing more complex basis functions, leads to more efficient performance improvements in KANs. Based on this principle, we proposed a superior KAN termed SKAN, where the basis function utilizes only a single learnable parameter. We then evaluated various single-parameterized functions for constructing SKANs, with LShifted Softplus-based SKANs (LSS-SKANs) demonstrating superior accuracy. Subsequently, extensive experiments were performed, comparing LSS-SKAN with other KAN variants on the MNIST dataset. In the final accuracy tests, LSS-SKAN exhibited superior performance on the MNIST dataset compared to all tested pure KAN variants. Regarding execution speed, LSS-SKAN outperformed all compared popular KAN variants. Our experimental codes are available at https://github.com/chikkkit/LSS-SKAN and SKAN's Python library (for quick construction of SKAN in python) codes are available at https://github.com/chikkkit/SKAN .
Optimally Solving Colored Generalized Sliding-Tile Puzzles: Complexity and Bounds
Authors: Marcus Gozon, Jingjin Yu
Date: 2024-10-19 00:00:00

The Generalized Sliding-Tile Puzzle (GSTP), allowing many square tiles on a board to move in parallel while enforcing natural geometric collision constraints on the movement of neighboring tiles, provide a high-fidelity mathematical model for many high-utility existing and future multi-robot applications, e.g., at mobile robot-based warehouses or autonomous garages. Motivated by practical relevance, this work examines a further generalization of GSTP called the Colored Generalized Sliding-Tile Puzzle (CGSP), where tiles can now assume varying degrees of distinguishability, a common occurrence in the aforementioned applications. Our study establishes the computational complexity of CGSP and its key sub-problems under a broad spectrum of possible conditions and characterizes solution makespan lower and upper bounds that differ by at most a logarithmic factor. These results are further extended to higher-dimensional versions of the puzzle game.
DEL-Ranking: Ranking-Correction Denoising Framework for Elucidating Molecular Affinities in DNA-Encoded Libraries
Authors: Hanqun Cao, Mutian He, Ning Ma, Chang-Yu Hsieh, Chunbin Gu, Pheng-Ann Heng
Date: 2024-10-19 00:00:00
Tasks: Denoising, Zero-shot Generalization

DNA-encoded library (DEL) screening has revolutionized the detection of protein-ligand interactions through read counts, enabling rapid exploration of vast chemical spaces. However, noise in read counts, stemming from nonspecific interactions, can mislead this exploration process. We present DEL-Ranking, a novel distribution-correction denoising framework that addresses these challenges. Our approach introduces two key innovations: (1) a novel ranking loss that rectifies relative magnitude relationships between read counts, enabling the learning of causal features determining activity levels, and (2) an iterative algorithm employing self-training and consistency loss to establish model coherence between activity label and read count predictions. Furthermore, we contribute three new DEL screening datasets, the first to comprehensively include multi-dimensional molecular representations, protein-ligand enrichment values, and their activity labels. These datasets mitigate data scarcity issues in AI-driven DEL screening research. Rigorous evaluation on diverse DEL datasets demonstrates DEL-Ranking's superior performance across multiple correlation metrics, with significant improvements in binding affinity prediction accuracy. Our model exhibits zero-shot generalization ability across different protein targets and successfully identifies potential motifs determining compound binding affinity. This work advances DEL screening analysis and provides valuable resources for future research in this area.
Water quality polluted by total suspended solids classified within an Artificial Neural Network approach
Authors: I. Luviano Soto, Y. Concha Sánchez, A. Raya
Date: 2024-10-19 00:00:00
Tasks: Decision Making, Transfer Learning

This study investigates the application of an artificial neural network framework for analysing water pollution caused by solids. Water pollution by suspended solids poses significant environmental and health risks. Traditional methods for assessing and predicting pollution levels are often time-consuming and resource-intensive. To address these challenges, we developed a model that leverages a comprehensive dataset of water quality from total suspended solids. A convolutional neural network was trained under a transfer learning approach using data corresponding to different total suspended solids concentrations, with the goal of accurately predicting low, medium and high pollution levels based on various input variables. Our model demonstrated high predictive accuracy, outperforming conventional statistical methods in terms of both speed and reliability. The results suggest that the artificial neural network framework can serve as an effective tool for real-time monitoring and management of water pollution, facilitating proactive decision-making and policy formulation. This approach not only enhances our understanding of pollution dynamics but also underscores the potential of machine learning techniques in environmental science.
Cooperation and Fairness in Multi-Agent Reinforcement Learning
Authors: Jasmine Jerry Aloor, Siddharth Nayak, Sydney Dolan, Hamsa Balakrishnan
Date: 2024-10-19 00:00:00
Tasks: Fairness, Multi-agent Reinforcement Learning, reinforcement-learning, Reinforcement Learning

Multi-agent systems are trained to maximize shared cost objectives, which typically reflect system-level efficiency. However, in the resource-constrained environments of mobility and transportation systems, efficiency may be achieved at the expense of fairness -- certain agents may incur significantly greater costs or lower rewards compared to others. Tasks could be distributed inequitably, leading to some agents receiving an unfair advantage while others incur disproportionately high costs. It is important to consider the tradeoffs between efficiency and fairness. We consider the problem of fair multi-agent navigation for a group of decentralized agents using multi-agent reinforcement learning (MARL). We consider the reciprocal of the coefficient of variation of the distances traveled by different agents as a measure of fairness and investigate whether agents can learn to be fair without significantly sacrificing efficiency (i.e., increasing the total distance traveled). We find that by training agents using min-max fair distance goal assignments along with a reward term that incentivizes fairness as they move towards their goals, the agents (1) learn a fair assignment of goals and (2) achieve almost perfect goal coverage in navigation scenarios using only local observations. For goal coverage scenarios, we find that, on average, our model yields a 14% improvement in efficiency and a 5% improvement in fairness over a baseline trained using random assignments. Furthermore, an average of 21% improvement in fairness can be achieved compared to a model trained on optimally efficient assignments; this increase in fairness comes at the expense of only a 7% decrease in efficiency. Finally, we extend our method to environments in which agents must complete coverage tasks in prescribed formations and show that it is possible to do so without tailoring the models to specific formation shapes.