pwc-archive/papers-with-abstracts huggingface dataset:
MFF-FTNet: Multi-scale Feature Fusion across Frequency and Temporal Domains for Time Series Forecasting
Authors: Yangyang Shi, Qianqian Ren, Yong liu, Jianguo Sun
Date: 2024-11-26 00:00:00
Tasks: Contrastive Learning, Time Series, Time Series Forecasting

Time series forecasting is crucial in many fields, yet current deep learning models struggle with noise, data sparsity, and capturing complex multi-scale patterns. This paper presents MFF-FTNet, a novel framework addressing these challenges by combining contrastive learning with multi-scale feature extraction across both frequency and time domains. MFF-FTNet introduces an adaptive noise augmentation strategy that adjusts scaling and shifting factors based on the statistical properties of the original time series data, enhancing model resilience to noise. The architecture is built around two complementary modules: a Frequency-Aware Contrastive Module (FACM) that refines spectral representations through frequency selection and contrastive learning, and a Complementary Time Domain Contrastive Module (CTCM) that captures both short- and long-term dependencies using multi-scale convolutions and feature fusion. A unified feature representation strategy enables robust contrastive learning across domains, creating an enriched framework for accurate forecasting. Extensive experiments on five real-world datasets demonstrate that MFF-FTNet significantly outperforms state-of-the-art models, achieving a 7.7% MSE improvement on multivariate tasks. These findings underscore MFF-FTNet's effectiveness in modeling complex temporal patterns and managing noise and sparsity, providing a comprehensive solution for both long- and short-term forecasting.
Epidemiology-informed Graph Neural Network for Heterogeneity-aware Epidemic Forecasting
Authors: Yufan Zheng, Wei Jiang, Alexander Zhou, Nguyen Quoc Viet Hung, Choujun Zhan, Tong Chen
Date: 2024-11-26 00:00:00
Tasks: Epidemiology, Graph Neural Network

Among various spatio-temporal prediction tasks, epidemic forecasting plays a critical role in public health management. Recent studies have demonstrated the strong potential of spatio-temporal graph neural networks (STGNNs) in extracting heterogeneous spatio-temporal patterns for epidemic forecasting. However, most of these methods bear an over-simplified assumption that two locations (e.g., cities) with similar observed features in previous time steps will develop similar infection numbers in the future. In fact, for any epidemic disease, there exists strong heterogeneity of its intrinsic evolution mechanisms across geolocation and time, which can eventually lead to diverged infection numbers in two ``similar'' locations. However, such mechanistic heterogeneity is non-trivial to be captured due to the existence of numerous influencing factors like medical resource accessibility, virus mutations, mobility patterns, etc., most of which are spatio-temporal yet unreachable or even unobservable. To address this challenge, we propose a Heterogeneous Epidemic-Aware Transmission Graph Neural Network (HeatGNN), a novel epidemic forecasting framework. By binding the epidemiology mechanistic model into a GNN, HeatGNN learns epidemiology-informed location embeddings of different locations that reflect their own transmission mechanisms over time. With the time-varying mechanistic affinity graphs computed with the epidemiology-informed location embeddings, a heterogeneous transmission graph network is designed to encode the mechanistic heterogeneity among locations, providing additional predictive signals to facilitate accurate forecasting. Experiments on three benchmark datasets have revealed that HeatGNN outperforms various strong baselines. Moreover, our efficiency analysis verifies the real-world practicality of HeatGNN on datasets of different sizes.
Efficient Deployment of Transformer Models in Analog In-Memory Computing Hardware
Authors: Chen Li, Corey Lammie, Manuel Le Gallo, Bipin Rajendran
Date: 2024-11-26 00:00:00
Tasks: Computational Efficiency

Analog in-memory computing (AIMC) has emerged as a promising solution to overcome the von Neumann bottleneck, accelerating neural network computations and improving computational efficiency. While AIMC has demonstrated success with architectures such as CNNs, MLPs, and RNNs, deploying transformer-based models using AIMC presents unique challenges. Transformers are expected to handle diverse downstream tasks and adapt to new user data or instructions after deployment, which requires more flexible approaches to suit AIMC constraints. In this paper, we propose a novel method for deploying pre-trained transformer models onto AIMC hardware. Unlike traditional approaches requiring hardware-aware training, our technique allows direct deployment without the need for retraining the original model. Instead, we utilize lightweight, low-rank adapters -- compact modules stored in digital cores -- to adapt the model to hardware constraints. We validate our approach on MobileBERT, demonstrating accuracy on par with, or even exceeding, a traditional hardware-aware training approach. Our method is particularly appealing in multi-task scenarios, as it enables a single analog model to be reused across multiple tasks. Moreover, it supports on-chip adaptation to new hardware constraints and tasks without updating analog weights, providing a flexible and versatile solution for real-world AI applications. Code is available.
Joint Combinatorial Node Selection and Resource Allocations in the Lightning Network using Attention-based Reinforcement Learning
Authors: Mahdi Salahshour, Amirahmad Shafiee, Mojtaba Tefagh
Date: 2024-11-26 00:00:00
Tasks: continuous-control, Continuous Control, Deep Reinforcement Learning

The Lightning Network (LN) has emerged as a second-layer solution to Bitcoin's scalability challenges. The rise of Payment Channel Networks (PCNs) and their specific mechanisms incentivize individuals to join the network for profit-making opportunities. According to the latest statistics, the total value locked within the Lightning Network is approximately \$500 million. Meanwhile, joining the LN with the profit-making incentives presents several obstacles, as it involves solving a complex combinatorial problem that encompasses both discrete and continuous control variables related to node selection and resource allocation, respectively. Current research inadequately captures the critical role of resource allocation and lacks realistic simulations of the LN routing mechanism. In this paper, we propose a Deep Reinforcement Learning (DRL) framework, enhanced by the power of transformers, to address the Joint Combinatorial Node Selection and Resource Allocation (JCNSRA) problem. We have improved upon an existing environment by introducing modules that enhance its routing mechanism, thereby narrowing the gap with the actual LN routing system and ensuring compatibility with the JCNSRA problem. We compare our model against several baselines and heuristics, demonstrating its superior performance across various settings. Additionally, we address concerns regarding centralization in the LN by deploying our agent within the network and monitoring the centrality measures of the evolved graph. Our findings suggest not only an absence of conflict between LN's decentralization goals and individuals' revenue-maximization incentives but also a positive association between the two.
Correlation-Aware Graph Convolutional Networks for Multi-Label Node Classification
Authors: Yuanchen Bei, Weizhi Chen, Hao Chen, Sheng Zhou, Carl Yang, Jiapei Fan, Longtao Huang, Jiajun Bu
Date: 2024-11-26 00:00:00
Tasks: Classification, Graph Mining, Node Classification

Multi-label node classification is an important yet under-explored domain in graph mining as many real-world nodes belong to multiple categories rather than just a single one. Although a few efforts have been made by utilizing Graph Convolution Networks (GCNs) to learn node representations and model correlations between multiple labels in the embedding space, they still suffer from the ambiguous feature and ambiguous topology induced by multiple labels, which reduces the credibility of the messages delivered in graphs and overlooks the label correlations on graph data. Therefore, it is crucial to reduce the ambiguity and empower the GCNs for accurate classification. However, this is quite challenging due to the requirement of retaining the distinctiveness of each label while fully harnessing the correlation between labels simultaneously. To address these issues, in this paper, we propose a Correlation-aware Graph Convolutional Network (CorGCN) for multi-label node classification. By introducing a novel Correlation-Aware Graph Decomposition module, CorGCN can learn a graph that contains rich label-correlated information for each label. It then employs a Correlation-Enhanced Graph Convolution to model the relationships between labels during message passing to further bolster the classification process. Extensive experiments on five datasets demonstrate the effectiveness of our proposed CorGCN.
sbi reloaded: a toolkit for simulation-based inference workflows
Authors: Jan Boelts, Michael Deistler, Manuel Gloeckler, Álvaro Tejero-Cantero, Jan-Matthis Lueckmann, Guy Moss, Peter Steinbach, Thomas Moreau, Fabio Muratore, Julia Linhart, Conor Durkan, Julius Vetter, Benjamin Kurt Miller, Maternus Herold, Abolfazl Ziaeemehr, Matthijs Pals, Theo Gruner, Sebastian Bischoff, Nastya Krouglova, Richard Gao, Janne K. Lappalainen, Bálint Mucsányi, Felix Pei, Auguste Schulz, Zinovia Stefanidi, Pedro Rodrigues, Cornelius Schröder, Faried Abu Zaid, Jonas Beck, Jaivardhan Kapoor, David S. Greenberg, Pedro J. Gonçalves, Jakob H. Macke
Date: 2024-11-26 00:00:00
Tasks: Bayesian Inference, Diagnostic

Scientists and engineers use simulators to model empirically observed phenomena. However, tuning the parameters of a simulator to ensure its outputs match observed data presents a significant challenge. Simulation-based inference (SBI) addresses this by enabling Bayesian inference for simulators, identifying parameters that match observed data and align with prior knowledge. Unlike traditional Bayesian inference, SBI only needs access to simulations from the model and does not require evaluations of the likelihood-function. In addition, SBI algorithms do not require gradients through the simulator, allow for massive parallelization of simulations, and can perform inference for different observations without further simulations or training, thereby amortizing inference. Over the past years, we have developed, maintained, and extended $\texttt{sbi}$, a PyTorch-based package that implements Bayesian SBI algorithms based on neural networks. The $\texttt{sbi}$ toolkit implements a wide range of inference methods, neural network architectures, sampling methods, and diagnostic tools. In addition, it provides well-tested default settings but also offers flexibility to fully customize every step of the simulation-based inference workflow. Taken together, the $\texttt{sbi}$ toolkit enables scientists and engineers to apply state-of-the-art SBI methods to black-box simulators, opening up new possibilities for aligning simulations with empirically observed data.
On the Generalization of Handwritten Text Recognition Models
Authors: Carlos Garrido-Munoz, Jorge Calvo-Zaragoza
Date: 2024-11-26 00:00:00
Proceeding: CVPR 2025 1
Tasks: Domain Adaptation, Domain Generalization, Handwritten Text Recognition, HTR, Transfer Learning

Recent advances in Handwritten Text Recognition (HTR) have led to significant reductions in transcription errors on standard benchmarks under the i.i.d. assumption, thus focusing on minimizing in-distribution (ID) errors. However, this assumption does not hold in real-world applications, which has motivated HTR research to explore Transfer Learning and Domain Adaptation techniques. In this work, we investigate the unaddressed limitations of HTR models in generalizing to out-of-distribution (OOD) data. We adopt the challenging setting of Domain Generalization, where models are expected to generalize to OOD data without any prior access. To this end, we analyze 336 OOD cases from eight state-of-the-art HTR models across seven widely used datasets, spanning five languages. Additionally, we study how HTR models leverage synthetic data to generalize. We reveal that the most significant factor for generalization lies in the textual divergence between domains, followed by visual divergence. We demonstrate that the error of HTR models in OOD scenarios can be reliably estimated, with discrepancies falling below 10 points in 70\% of cases. We identify the underlying limitations of HTR models, laying the foundation for future research to address this challenge.
Privacy Preserving Federated Unsupervised Domain Adaptation with Application to Age Prediction from DNA Methylation Data
Authors: Cem Ata Baykara, Ali Burak Ünal, Nico Pfeifer, Mete Akgün
Date: 2024-11-26 00:00:00
Tasks: Domain Adaptation, Gaussian Processes, Privacy Preserving, Unsupervised Domain Adaptation

In computational biology, predictive models are widely used to address complex tasks, but their performance can suffer greatly when applied to data from different distributions. The current state-of-the-art domain adaptation method for high-dimensional data aims to mitigate these issues by aligning the input dependencies between training and test data. However, this approach requires centralized access to both source and target domain data, raising concerns about data privacy, especially when the data comes from multiple sources. In this paper, we introduce a privacy-preserving federated framework for unsupervised domain adaptation in high-dimensional settings. Our method employs federated training of Gaussian processes and weighted elastic nets to effectively address the problem of distribution shift between domains, while utilizing secure aggregation and randomized encoding to protect the local data of participating data owners. We evaluate our framework on the task of age prediction using DNA methylation data from multiple tissues, demonstrating that our approach performs comparably to existing centralized methods while maintaining data privacy, even in distributed environments where data is spread across multiple institutions. Our framework is the first privacy-preserving solution for high-dimensional domain adaptation in federated environments, offering a promising tool for fields like computational biology and medicine, where protecting sensitive data is essential.
AutoElicit: Using Large Language Models for Expert Prior Elicitation in Predictive Modelling
Authors: Alexander Capstick, Rahul G. Krishnan, Payam Barnaghi
Date: 2024-11-26 00:00:00
Tasks: Bayesian Inference, In-Context Learning, Model Selection

Large language models (LLMs) acquire a breadth of information across various domains. However, their computational complexity, cost, and lack of transparency often hinder their direct application for predictive tasks where privacy and interpretability are paramount. In fields such as healthcare, biology, and finance, specialised and interpretable linear models still hold considerable value. In such domains, labelled data may be scarce or expensive to obtain. Well-specified prior distributions over model parameters can reduce the sample complexity of learning through Bayesian inference; however, eliciting expert priors can be time-consuming. We therefore introduce AutoElicit to extract knowledge from LLMs and construct priors for predictive models. We show these priors are informative and can be refined using natural language. We perform a careful study contrasting AutoElicit with in-context learning and demonstrate how to perform model selection between the two methods. We find that AutoElicit yields priors that can substantially reduce error over uninformative priors, using fewer labels, and consistently outperform in-context learning. We show that AutoElicit saves over 6 months of labelling effort when building a new predictive model for urinary tract infections from sensor recordings of people living with dementia.
The Exploration of Neural Collapse under Imbalanced Data
Authors: Haixia Liu
Date: 2024-11-26 00:00:00

Neural collapse, a newly identified characteristic, describes a property of solutions during model training. In this paper, we explore neural collapse in the context of imbalanced data. We consider the $L$-extended unconstrained feature model with a bias term and provide a theoretical analysis of global minimizer. Our findings include: (1) Features within the same class converge to their class mean, similar to both the balanced case and the imbalanced case without bias. (2) The geometric structure is mainly on the left orthonormal transformation of the product of $L$ linear classifiers and the right transformation of the class-mean matrix. (3) Some rows of the left orthonormal transformation of the product of $L$ linear classifiers collapse to zeros and others are orthogonal, which relies on the singular values of $\hat Y=(I_K-1/N\mathbf{n}1^\top_K)D$, where $K$ is class size, $\mathbf{n}$ is the vector of sample size for each class, $D$ is the diagonal matrix whose diagonal entries are given by $\sqrt{\mathbf{n}}$. Similar results are for the columns of the right orthonormal transformation of the product of class-mean matrix and $D$. (4) The $i$-th row of the left orthonormal transformation of the product of $L$ linear classifiers aligns with the $i$-th column of the right orthonormal transformation of the product of class-mean matrix and $D$. (5) We provide the estimation of singular values about $\hat Y$. Our numerical experiments support these theoretical findings.
Disentangled Interpretable Representation for Efficient Long-term Time Series Forecasting
Authors: Yuang Zhao, Tianyu Li, Jiadong Chen, Shenrong Ye, Fuxin Jiang, Tieying Zhang, Xiaofeng Gao
Date: 2024-11-26 00:00:00
Tasks: Multivariate Time Series Forecasting, Time Series, Time Series Forecasting

Industry 5.0 introduces new challenges for Long-term Time Series Forecasting (LTSF), characterized by high-dimensional, high-resolution data and high-stakes application scenarios. Against this backdrop, developing efficient and interpretable models for LTSF becomes a key challenge. Existing deep learning and linear models often suffer from excessive parameter complexity and lack intuitive interpretability. To address these issues, we propose DiPE-Linear, a Disentangled interpretable Parameter-Efficient Linear network. DiPE-Linear incorporates three temporal components: Static Frequential Attention (SFA), Static Temporal Attention (STA), and Independent Frequential Mapping (IFM). These components alternate between learning in the frequency and time domains to achieve disentangled interpretability. The decomposed model structure reduces parameter complexity from quadratic in fully connected networks (FCs) to linear and computational complexity from quadratic to log-linear. Additionally, a Low-Rank Weight Sharing policy enhances the model's ability to handle multivariate series. Despite operating within a subspace of FCs with limited expressive capacity, DiPE-Linear demonstrates comparable or superior performance to both FCs and nonlinear models across multiple open-source and real-world LTSF datasets, validating the effectiveness of its sophisticatedly designed structure. The combination of efficiency, accuracy, and interpretability makes DiPE-Linear a strong candidate for advancing LTSF in both research and real-world applications. The source code is available at https://github.com/wintertee/DiPE-Linear.
On the Efficiency of NLP-Inspired Methods for Tabular Deep Learning
Authors: Anton Frederik Thielmann, Soheila Samiee
Date: 2024-11-26 00:00:00
Tasks: Computational Efficiency, Deep Learning, Language Modeling, Language Modelling, Mamba

Recent advancements in tabular deep learning (DL) have led to substantial performance improvements, surpassing the capabilities of traditional models. With the adoption of techniques from natural language processing (NLP), such as language model-based approaches, DL models for tabular data have also grown in complexity and size. Although tabular datasets do not typically pose scalability issues, the escalating size of these models has raised efficiency concerns. Despite its importance, efficiency has been relatively underexplored in tabular DL research. This paper critically examines the latest innovations in tabular DL, with a dual focus on performance and computational efficiency. The source code is available at https://github.com/basf/mamba-tabular.
P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching
Authors: Yaowei Jin, Qi Huang, Ziyang Song, Mingyue Zheng, Dan Teng, Qian Shi
Date: 2024-11-26 00:00:00

Biological processes, functions, and properties are intricately linked to the ensemble of protein conformations, rather than being solely determined by a single stable conformation. In this study, we have developed P2DFlow, a generative model based on SE(3) flow matching, to predict the structural ensembles of proteins. We specifically designed a valuable prior for the flow process and enhanced the model's ability to distinguish each intermediate state by incorporating an additional dimension to describe the ensemble data, which can reflect the physical laws governing the distribution of ensembles, so that the prior knowledge can effectively guide the generation process. When trained and evaluated on the MD datasets of ATLAS, P2DFlow outperforms other baseline models on extensive experiments, successfully capturing the observable dynamic fluctuations as evidenced in crystal structure and MD simulations. As a potential proxy agent for protein molecular simulation, the high-quality ensembles generated by P2DFlow could significantly aid in understanding protein functions across various scenarios. Code is available at https://github.com/BLEACH366/P2DFlow
An In-depth Investigation of Sparse Rate Reduction in Transformer-like Models
Authors: Yunzhe Hu, Difan Zou, Dong Xu
Date: 2024-11-26 00:00:00
Tasks: image-classification, Image Classification

Deep neural networks have long been criticized for being black-box. To unveil the inner workings of modern neural architectures, a recent work \cite{yu2024white} proposed an information-theoretic objective function called Sparse Rate Reduction (SRR) and interpreted its unrolled optimization as a Transformer-like model called Coding Rate Reduction Transformer (CRATE). However, the focus of the study was primarily on the basic implementation, and whether this objective is optimized in practice and its causal relationship to generalization remain elusive. Going beyond this study, we derive different implementations by analyzing layer-wise behaviors of CRATE, both theoretically and empirically. To reveal the predictive power of SRR on generalization, we collect a set of model variants induced by varied implementations and hyperparameters and evaluate SRR as a complexity measure based on its correlation with generalization. Surprisingly, we find out that SRR has a positive correlation coefficient and outperforms other baseline measures, such as path-norm and sharpness-based ones. Furthermore, we show that generalization can be improved using SRR as regularization on benchmark image classification datasets. We hope this paper can shed light on leveraging SRR to design principled models and study their generalization ability.