pwc-archive/papers-with-abstracts huggingface dataset:
A Model-Constrained Discontinuous Galerkin Network (DGNet) for Compressible Euler Equations with Out-of-Distribution Generalization
Authors: Hai V. Nguyen, Jau-Uei Chen, Tan Bui-Thanh
Date: 2024-09-27 00:00:00
Tasks: Out-of-Distribution Generalization, Uncertainty Quantification

Real-time accurate solutions of large-scale complex dynamical systems are critically needed for control, optimization, uncertainty quantification, and decision-making in practical engineering and science applications, particularly in digital twin contexts. In this work, we develop a model-constrained discontinuous Galerkin Network (DGNet) approach, a significant extension to our previous work [Model-constrained Tagent Slope Learning Approach for Dynamical Systems], for compressible Euler equations with out-of-distribution generalization. The core of DGNet is the synergy of several key strategies: (i) leveraging time integration schemes to capture temporal correlation and taking advantage of neural network speed for computation time reduction; (ii) employing a model-constrained approach to ensure the learned tangent slope satisfies governing equations; (iii) utilizing a GNN-inspired architecture where edges represent Riemann solver surrogate models and nodes represent volume integration correction surrogate models, enabling capturing discontinuity capability, aliasing error reduction, and mesh discretization generalizability; (iv) implementing the input normalization technique that allows surrogate models to generalize across different initial conditions, geometries, meshes, boundary conditions, and solution orders; and (v) incorporating a data randomization technique that not only implicitly promotes agreement between surrogate models and true numerical models up to second-order derivatives, ensuring long-term stability and prediction capacity, but also serves as a data generation engine during training, leading to enhanced generalization on unseen data. To validate the effectiveness, stability, and generalizability of our novel DGNet approach, we present comprehensive numerical results for 1D and 2D compressible Euler equation problems.
Discovery and inversion of the viscoelastic wave equation in inhomogeneous media
Authors: Su Chen, Yi Ding, Hiroe Miyake, Xiaojun Li
Date: 2024-09-27 00:00:00
Tasks: regression

In scientific machine learning, the task of identifying partial differential equations accurately from sparse and noisy data poses a significant challenge. Current sparse regression methods may identify inaccurate equations on sparse and noisy datasets and are not suitable for varying coefficients. To address this issue, we propose a hybrid framework that combines two alternating direction optimization phases: discovery and embedding. The discovery phase employs current well-developed sparse regression techniques to preliminarily identify governing equations from observations. The embedding phase implements a recurrent convolutional neural network (RCNN), enabling efficient processes for time-space iterations involved in discretized forms of wave equation. The RCNN model further optimizes the imperfect sparse regression results to obtain more accurate functional terms and coefficients. Through alternating update of discovery-embedding phases, essential physical equations can be robustly identified from noisy and low-resolution measurements. To assess the performance of proposed framework, numerical experiments are conducted on various scenarios involving wave equation in elastic/viscoelastic and homogeneous/inhomogeneous media. The results demonstrate that the proposed method exhibits excellent robustness and accuracy, even when faced with high levels of noise and limited data availability in both spatial and temporal domains.
Defect Prediction with Content-based Features
Authors: Hung Viet Pham, Tung Thanh Nguyen
Date: 2024-09-27 00:00:00
Tasks: feature selection, Prediction

Traditional defect prediction approaches often use metrics that measure the complexity of the design or implementing code of a software system, such as the number of lines of code in a source file. In this paper, we explore a different approach based on content of source code. Our key assumption is that source code of a software system contains information about its technical aspects and those aspects might have different levels of defect-proneness. Thus, content-based features such as words, topics, data types, and package names extracted from a source code file could be used to predict its defects. We have performed an extensive empirical evaluation and found that: i) such content-based features have higher predictive power than code complexity metrics and ii) the use of feature selection, reduction, and combination further improves the prediction performance.
Generative AI for fast and accurate statistical computation of fluids
Authors: Roberto Molinaro, Samuel Lanthaler, Bogdan Raonić, Tobias Rohner, Victor Armegioiu, Stephan Simonis, Dana Grund, Yannick Ramic, Zhong Yi Wan, Fei Sha, Siddhartha Mishra, Leonardo Zepeda-Núñez
Date: 2024-09-27 00:00:00
Tasks: Operator learning

We present a generative AI algorithm for addressing the pressing task of fast, accurate, and robust statistical computation of three-dimensional turbulent fluid flows. Our algorithm, termed as GenCFD, is based on an end-to-end conditional score-based diffusion model. Through extensive numerical experimentation with a set of challenging fluid flows, we demonstrate that GenCFD provides an accurate approximation of relevant statistical quantities of interest while also efficiently generating high-quality realistic samples of turbulent fluid flows and ensuring excellent spectral resolution. In contrast, ensembles of deterministic ML algorithms, trained to minimize mean square errors, regress to the mean flow. We present rigorous theoretical results uncovering the surprising mechanisms through which diffusion models accurately generate fluid flows. These mechanisms are illustrated with solvable toy models that exhibit the mathematically relevant features of turbulent fluid flows while being amenable to explicit analytical formulae. Our codes are publicly available at https://github.com/camlab-ethz/GenCFD.
FedDCL: a federated data collaboration learning as a hybrid-type privacy-preserving framework based on federated learning and data collaboration
Authors: Akira Imakura, Tetsuya Sakurai
Date: 2024-09-27 00:00:00
Tasks: Federated Learning, Privacy Preserving

Recently, federated learning has attracted much attention as a privacy-preserving integrated analysis that enables integrated analysis of data held by multiple institutions without sharing raw data. On the other hand, federated learning requires iterative communication across institutions and has a big challenge for implementation in situations where continuous communication with the outside world is extremely difficult. In this study, we propose a federated data collaboration learning (FedDCL), which solves such communication issues by combining federated learning with recently proposed non-model share-type federated learning named as data collaboration analysis. In the proposed FedDCL framework, each user institution independently constructs dimensionality-reduced intermediate representations and shares them with neighboring institutions on intra-group DC servers. On each intra-group DC server, intermediate representations are transformed to incorporable forms called collaboration representations. Federated learning is then conducted between intra-group DC servers. The proposed FedDCL framework does not require iterative communication by user institutions and can be implemented in situations where continuous communication with the outside world is extremely difficult. The experimental results show that the performance of the proposed FedDCL is comparable to that of existing federated learning.
A Framework for Standardizing Similarity Measures in a Rapidly Evolving Field
Authors: Nathan Cloos, Guangyu Robert Yang, Christopher J. Cueva
Date: 2024-09-26 00:00:00

Similarity measures are fundamental tools for quantifying the alignment between artificial and biological systems. However, the diversity of similarity measures and their varied naming and implementation conventions makes it challenging to compare across studies. To facilitate comparisons and make explicit the implementation choices underlying a given code package, we have created and are continuing to develop a Python repository that benchmarks and standardizes similarity measures. The goal of creating a consistent naming convention that uniquely and efficiently specifies a similarity measure is not trivial as, for example, even commonly used methods like Centered Kernel Alignment (CKA) have at least 12 different variations, and this number will likely continue to grow as the field evolves. For this reason, we do not advocate for a fixed, definitive naming convention. The landscape of similarity measures and best practices will continue to change and so we see our current repository, which incorporates approximately 100 different similarity measures from 14 packages, as providing a useful tool at this snapshot in time. To accommodate the evolution of the field we present a framework for developing, validating, and refining naming conventions with the goal of uniquely and efficiently specifying similarity measures, ultimately making it easier for the community to make comparisons across studies.
Conformal Prediction: A Theoretical Note and Benchmarking Transductive Node Classification in Graphs
Authors: Pranav Maneriker, Aditya T. Vadlamani, Anutam Srinivasan, Yuntian He, Ali Payani, Srinivasan Parthasarathy
Date: 2024-09-26 00:00:00
Tasks: Benchmarking, Conformal Prediction, Node Classification, Prediction, Uncertainty Quantification

Conformal prediction has become increasingly popular for quantifying the uncertainty associated with machine learning models. Recent work in graph uncertainty quantification has built upon this approach for conformal graph prediction. The nascent nature of these explorations has led to conflicting choices for implementations, baselines, and method evaluation. In this work, we analyze the design choices made in the literature and discuss the tradeoffs associated with existing methods. Building on the existing implementations, we introduce techniques to scale existing methods to large-scale graph datasets without sacrificing performance. Our theoretical and empirical results justify our recommendations for future scholarship in graph conformal prediction.
DMC-VB: A Benchmark for Representation Learning for Control with Visual Distractors
Authors: Joseph Ortiz, Antoine Dedieu, Wolfgang Lehrach, Swaroop Guntupalli, Carter Wendelken, Ahmad Humayun, Guangyao Zhou, Sivaramakrishnan Swaminathan, Miguel Lázaro-Gredilla, Kevin Murphy
Date: 2024-09-26 00:00:00
Tasks: continuous-control, Continuous Control, Offline RL, Reinforcement Learning (RL), Representation Learning

Learning from previously collected data via behavioral cloning or offline reinforcement learning (RL) is a powerful recipe for scaling generalist agents by avoiding the need for expensive online learning. Despite strong generalization in some respects, agents are often remarkably brittle to minor visual variations in control-irrelevant factors such as the background or camera viewpoint. In this paper, we present theDeepMind Control Visual Benchmark (DMC-VB), a dataset collected in the DeepMind Control Suite to evaluate the robustness of offline RL agents for solving continuous control tasks from visual input in the presence of visual distractors. In contrast to prior works, our dataset (a) combines locomotion and navigation tasks of varying difficulties, (b) includes static and dynamic visual variations, (c) considers data generated by policies with different skill levels, (d) systematically returns pairs of state and pixel observation, (e) is an order of magnitude larger, and (f) includes tasks with hidden goals. Accompanying our dataset, we propose three benchmarks to evaluate representation learning methods for pretraining, and carry out experiments on several recently proposed methods. First, we find that pretrained representations do not help policy learning on DMC-VB, and we highlight a large representation gap between policies learned on pixel observations and on states. Second, we demonstrate when expert data is limited, policy learning can benefit from representations pretrained on (a) suboptimal data, and (b) tasks with stochastic hidden goals. Our dataset and benchmark code to train and evaluate agents are available at: https://github.com/google-deepmind/dmc_vision_benchmark.
Towards the Mitigation of Confirmation Bias in Semi-supervised Learning: a Debiased Training Perspective
Authors: Yu Wang, Yuxuan Yin, Peng Li
Date: 2024-09-26 00:00:00
Tasks: image-classification, Image Classification

Semi-supervised learning (SSL) commonly exhibits confirmation bias, where models disproportionately favor certain classes, leading to errors in predicted pseudo labels that accumulate under a self-training paradigm. Unlike supervised settings, which benefit from a rich, static data distribution, SSL inherently lacks mechanisms to correct this self-reinforced bias, necessitating debiased interventions at each training step. Although the generation of debiased pseudo labels has been extensively studied, their effective utilization remains underexplored. Our analysis indicates that data from biased classes should have a reduced influence on parameter updates, while more attention should be given to underrepresented classes. To address these challenges, we introduce TaMatch, a unified framework for debiased training in SSL. TaMatch employs a scaling ratio derived from both a prior target distribution and the model's learning status to estimate and correct bias at each training step. This ratio adjusts the raw predictions on unlabeled data to produce debiased pseudo labels. In the utilization phase, these labels are differently weighted according to their predicted class, enhancing training equity and minimizing class bias. Additionally, TaMatch dynamically adjust the target distribution in response to the model's learning progress, facilitating robust handling of practical scenarios where the prior distribution is unknown. Empirical evaluations show that TaMatch significantly outperforms existing state-of-the-art methods across a range of challenging image classification tasks, highlighting the critical importance of both the debiased generation and utilization of pseudo labels in SSL.
Deep-ER: Deep Learning ECCENTRIC Reconstruction for fast high-resolution neurometabolic imaging
Authors: Paul Weiser, Georg Langs, Wolfgang Bogner, Stanislav Motyka, Bernhard Strasser, Polina Golland, Nalini Singh, Jorg Dietrich, Erik Uhlmann, Tracy Batchelor, Daniel Cahill, Malte Hoffmann, Antoine Klauser, Ovidiu C. Andronesi
Date: 2024-09-26 00:00:00

Introduction: Altered neurometabolism is an important pathological mechanism in many neurological diseases and brain cancer, which can be mapped non-invasively by Magnetic Resonance Spectroscopic Imaging (MRSI). Advanced MRSI using non-cartesian compressed-sense acquisition enables fast high-resolution metabolic imaging but has lengthy reconstruction times that limits throughput and needs expert user interaction. Here, we present a robust and efficient Deep Learning reconstruction to obtain high-quality metabolic maps. Methods: Fast high-resolution whole-brain metabolic imaging was performed at 3.4 mm$^3$ isotropic resolution with acquisition times between 4:11-9:21 min:s using ECCENTRIC pulse sequence on a 7T MRI scanner. Data were acquired in a high-resolution phantom and 27 human participants, including 22 healthy volunteers and 5 glioma patients. A deep neural network using recurring interlaced convolutional layers with joint dual-space feature representation was developed for deep learning ECCENTRIC reconstruction (Deep-ER). 21 subjects were used for training and 6 subjects for testing. Deep-ER performance was compared to conventional iterative Total Generalized Variation reconstruction using image and spectral quality metrics. Results: Deep-ER demonstrated 600-fold faster reconstruction than conventional methods, providing improved spatial-spectral quality and metabolite quantification with 12%-45% (P<0.05) higher signal-to-noise and 8%-50% (P<0.05) smaller Cramer-Rao lower bounds. Metabolic images clearly visualize glioma tumor heterogeneity and boundary. Conclusion: Deep-ER provides efficient and robust reconstruction for sparse-sampled MRSI. The accelerated acquisition-reconstruction MRSI is compatible with high-throughput imaging workflow. It is expected that such improved performance will facilitate basic and clinical MRSI applications.
Causality-based Subject and Task Fingerprints using fMRI Time-series Data
Authors: Dachuan Song, Li Shen, Duy Duong-Tran, Xuan Wang
Date: 2024-09-26 00:00:00
Tasks: Graph Neural Network, Time Series

Recently, there has been a revived interest in system neuroscience causation models due to their unique capability to unravel complex relationships in multi-scale brain networks. In this paper, our goal is to verify the feasibility and effectiveness of using a causality-based approach for fMRI fingerprinting. Specifically, we propose an innovative method that utilizes the causal dynamics activities of the brain to identify the unique cognitive patterns of individuals (e.g., subject fingerprint) and fMRI tasks (e.g., task fingerprint). The key novelty of our approach stems from the development of a two-timescale linear state-space model to extract 'spatio-temporal' (aka causal) signatures from an individual's fMRI time series data. To the best of our knowledge, we pioneer and subsequently quantify, in this paper, the concept of 'causal fingerprint.' Our method is well-separated from other fingerprint studies as we quantify fingerprints from a cause-and-effect perspective, which are then incorporated with a modal decomposition and projection method to perform subject identification and a GNN-based (Graph Neural Network) model to perform task identification. Finally, we show that the experimental results and comparisons with non-causality-based methods demonstrate the effectiveness of the proposed methods. We visualize the obtained causal signatures and discuss their biological relevance in light of the existing understanding of brain functionalities. Collectively, our work paves the way for further studies on causal fingerprints with potential applications in both healthy controls and neurodegenerative diseases.
SLIDE: A machine-learning based method for forced dynamic response estimation of multibody systems
Authors: Peter Manzl, Alexander Humer, Qasim Khadim, Johannes Gerstmayr
Date: 2024-09-26 00:00:00

In computational engineering, enhancing the simulation speed and efficiency is a perpetual goal. To fully take advantage of neural network techniques and hardware, we present the SLiding-window Initially-truncated Dynamic-response Estimator (SLIDE), a deep learning-based method designed to estimate output sequences of mechanical or multibody systems with primarily, but not exclusively, forced excitation. A key advantage of SLIDE is its ability to estimate the dynamic response of damped systems without requiring the full system state, making it particularly effective for flexible multibody systems. The method truncates the output window based on the decay of initial effects, such as damping, which is approximated by the complex eigenvalues of the systems linearized equations. In addition, a second neural network is trained to provide an error estimation, further enhancing the methods applicability. The method is applied to a diverse selection of systems, including the Duffing oscillator, a flexible slider-crank system, and an industrial 6R manipulator, mounted on a flexible socket. Our results demonstrate significant speedups from the simulation up to several millions, exceeding real-time performance substantially.
Using dynamic loss weighting to boost improvements in forecast stability
Authors: Daan Caljon, Jeff Vercauteren, Simon De Vos, Wouter Verbeke, Jente Van Belle
Date: 2024-09-26 00:00:00
Tasks: Time Series

Rolling origin forecast instability refers to variability in forecasts for a specific period induced by updating the forecast when new data points become available. Recently, an extension to the N-BEATS model for univariate time series point forecasting was proposed to include forecast stability as an additional optimization objective, next to accuracy. It was shown that more stable forecasts can be obtained without harming accuracy by minimizing a composite loss function that contains both a forecast error and a forecast instability component, with a static hyperparameter to control the impact of stability. In this paper, we empirically investigate whether further improvements in stability can be obtained without compromising accuracy by applying dynamic loss weighting algorithms, which change the loss weights during training. We show that existing dynamic loss weighting methods can achieve this objective and provide insights into why this might be the case. Additionally, we propose an extension to the Random Weighting approach -- Task-Aware Random Weighting -- which also achieves this objective.
Predicting Muscle Thickness Deformation from Muscle Activation Patterns: A Dual-Attention Framework
Authors: Bangyu Lan, Kenan Niu
Date: 2024-09-26 00:00:00

Understanding the relationship between muscle activation and thickness deformation is critical for diagnosing muscle-related diseases and monitoring muscle health. Although ultrasound technique can measure muscle thickness change during muscle movement, its application in portable devices is limited by wiring and data collection challenges. Surface electromyography (sEMG), on the other hand, records muscle bioelectrical signals as the muscle activation. This paper introduced a deep-learning approach to leverage sEMG signals for muscle thickness deformation prediction, eliminating the need for ultrasound measurement. Using a dual-attention framework combining self-attention and cross-attention mechanisms, this method predicted muscle deformation directly from sEMG data. Experimental results with six healthy subjects showed that the approach could accurately predict muscle excursion with an average precision of 0.923$\pm$0.900mm, which shows that this method can facilitate real-time portable muscle health monitoring, showing potential for applications in clinical diagnostics, sports science, and rehabilitation.
DisGeM: Distractor Generation for Multiple Choice Questions with Span Masking
Authors: Devrim Cavusoglu, Secil Sen, Ulas Sert
Date: 2024-09-26 00:00:00
Tasks: Distractor Generation, Multiple-choice, Natural Language Inference, Question Answering, Question Generation, Question-Generation, Text Generation

Recent advancements in Natural Language Processing (NLP) have impacted numerous sub-fields such as natural language generation, natural language inference, question answering, and more. However, in the field of question generation, the creation of distractors for multiple-choice questions (MCQ) remains a challenging task. In this work, we present a simple, generic framework for distractor generation using readily available Pre-trained Language Models (PLMs). Unlike previous methods, our framework relies solely on pre-trained language models and does not require additional training on specific datasets. Building upon previous research, we introduce a two-stage framework consisting of candidate generation and candidate selection. Our proposed distractor generation framework outperforms previous methods without the need for training or fine-tuning. Human evaluations confirm that our approach produces more effective and engaging distractors. The related codebase is publicly available at https://github.com/obss/disgem.