pwc-archive/papers-with-abstracts huggingface dataset:
Brain-Inspired Spike Echo State Network Dynamics for Aero-Engine Intelligent Fault Prediction
Authors: Mo-Ran Liu, Tao Sun, Xi-Ming Sun
Date: 2024-06-14 00:00:00
Tasks: Parameter Prediction, Prediction, Time Series

Aero-engine fault prediction aims to accurately predict the development trend of the future state of aero-engines, so as to diagnose faults in advance. Traditional aero-engine parameter prediction methods mainly use the nonlinear mapping relationship of time series data but generally ignore the adequate spatiotemporal features contained in aero-engine data. To this end, we propose a brain-inspired spike echo state network (Spike-ESN) model for aero-engine intelligent fault prediction, which is used to effectively capture the evolution process of aero-engine time series data in the framework of spatiotemporal dynamics. In the proposed approach, we design a spike input layer based on Poisson distribution inspired by the spike neural encoding mechanism of biological neurons, which can extract the useful temporal characteristics in aero-engine sequence data. Then, the temporal characteristics are input into a spike reservoir through the current calculation method of spike accumulation in neurons, which projects the data into a high-dimensional sparse space. In addition, we use the ridge regression method to read out the internal state of the spike reservoir. Finally, the experimental results of aero-engine states prediction demonstrate the superiority and potential of the proposed method.
Human-level molecular optimization driven by mol-gene evolution
Authors: Jiebin Fang, Churu Mao, Yuchen Zhu, Xiaoming Chen, Chang-Yu Hsieh, Zhongjun Ma
Date: 2024-06-13 00:00:00
Tasks: Drug Discovery, Quantization

De novo molecule generation allows the search for more drug-like hits across a vast chemical space. However, lead optimization is still required, and the process of optimizing molecular structures faces the challenge of balancing structural novelty with pharmacological properties. This study introduces the Deep Genetic Molecular Modification Algorithm (DGMM), which brings structure modification to the level of medicinal chemists. A discrete variational autoencoder (D-VAE) is used in DGMM to encode molecules as quantization code, mol-gene, which incorporates deep learning into genetic algorithms for flexible structural optimization. The mol-gene allows for the discovery of pharmacologically similar but structurally distinct compounds, and reveals the trade-offs of structural optimization in drug discovery. We demonstrate the effectiveness of the DGMM in several applications.
Proximal Interacting Particle Langevin Algorithms
Authors: Paula Cordero Encinar, Francesca R. Crucinio, O. Deniz Akyildiz
Date: 2024-06-20 00:00:00
Tasks: Deblurring, Image Deblurring, Matrix Completion, parameter estimation

We introduce a class of algorithms, termed proximal interacting particle Langevin algorithms (PIPLA), for inference and learning in latent variable models whose joint probability density is non-differentiable. Leveraging proximal Markov chain Monte Carlo techniques and interacting particle Langevin algorithms, we propose three algorithms tailored to the problem of estimating parameters in a non-differentiable statistical model. We prove nonasymptotic bounds for the parameter estimates produced by the different algorithms in the strongly log-concave setting and provide comprehensive numerical experiments on various models to demonstrate the effectiveness of the proposed methods. In particular, we demonstrate the utility of our family of algorithms for sparse Bayesian logistic regression, training of sparse Bayesian neural networks or neural networks with non-differentiable activation functions, image deblurring, and sparse matrix completion. Our theory and experiments together show that PIPLA family can be the de facto choice for parameter estimation problems in non-differentiable latent variable models.
Concentration of a sparse Bayesian model with Horseshoe prior in estimating high-dimensional precision matrix
Authors: The Tien Mai
Date: 2024-06-20 00:00:00

Precision matrices are crucial in many fields such as social networks, neuroscience, and economics, representing the edge structure of Gaussian graphical models (GGMs), where a zero in an off-diagonal position of the precision matrix indicates conditional independence between nodes. In high-dimensional settings where the dimension of the precision matrix \( p \) exceeds the sample size \( n \) and the matrix is sparse, methods like graphical Lasso, graphical SCAD, and CLIME are popular for estimating GGMs. While frequentist methods are well-studied, Bayesian approaches for (unstructured) sparse precision matrices are less explored. The graphical horseshoe estimate by \cite{li2019graphical}, applying the global-local horseshoe prior, shows superior empirical performance, but theoretical work for sparse precision matrix estimations using shrinkage priors is limited. This paper addresses these gaps by providing concentration results for the tempered posterior with the fully specified horseshoe prior in high-dimensional settings. Moreover, we also provide novel theoretical results for model misspecification, offering a general oracle inequality for the posterior. A concise set of simulations is performed to validate our theoretical findings.
Enhancing multivariate post-processed visibility predictions utilizing CAMS forecasts
Authors: Mária Lakatos, Sándor Baran
Date: 2024-06-20 00:00:00

In our contemporary era, meteorological weather forecasts increasingly incorporate ensemble predictions of visibility - a parameter of great importance in aviation, maritime navigation, and air quality assessment, with direct implications for public health. However, this weather variable falls short of the predictive accuracy achieved for other quantities issued by meteorological centers. Therefore, statistical post-processing is recommended to enhance the reliability and accuracy of predictions. By estimating the predictive distributions of the variables with the aid of historical observations and forecasts, one can achieve statistical consistency between true observations and ensemble predictions. Visibility observations, following the recommendation of the World Meteorological Organization, are typically reported in discrete values; hence, the predictive distribution of the weather quantity takes the form of a discrete parametric law. Recent studies demonstrated that the application of classification algorithms can successfully improve the skill of such discrete forecasts; however, a frequently emerging issue is that certain spatial and/or temporal dependencies could be lost between marginals. Based on visibility ensemble forecasts of the European Centre for Medium-Range Weather Forecasts for 30 locations in Central Europe, we investigate whether the inclusion of Copernicus Atmosphere Monitoring Service (CAMS) predictions of the same weather quantity as an additional covariate could enhance the skill of the post-processing methods and whether it contributes to the successful integration of spatial dependence between marginals. Our study confirms that post-processed forecasts are substantially superior to raw and climatological predictions, and the utilization of CAMS forecasts provides a further significant enhancement both in the univariate and multivariate setup.
Semi-supervised Regression Analysis with Model Misspecification and High-dimensional Data
Authors: Ye Tian, Peng Wu, Zhiqiang Tan
Date: 2024-06-20 00:00:00
Tasks: regression, Transfer Learning, valid

The accessibility of vast volumes of unlabeled data has sparked growing interest in semi-supervised learning (SSL) and covariate shift transfer learning (CSTL). In this paper, we present an inference framework for estimating regression coefficients in conditional mean models within both SSL and CSTL settings, while allowing for the misspecification of conditional mean models. We develop an augmented inverse probability weighted (AIPW) method, employing regularized calibrated estimators for both propensity score (PS) and outcome regression (OR) nuisance models, with PS and OR models being sequentially dependent. We show that when the PS model is correctly specified, the proposed estimator achieves consistency, asymptotic normality, and valid confidence intervals, even with possible OR model misspecification and high-dimensional data. Moreover, by suppressing detailed technical choices, we demonstrate that previous methods can be unified within our AIPW framework. Our theoretical findings are verified through extensive simulation studies and a real-world data application.
Cluster Quilting: Spectral Clustering for Patchwork Learning
Authors: Lili Zheng, Andersen Chang, Genevera I. Allen
Date: 2024-06-19 00:00:00
Tasks: Clustering, Data Integration

Patchwork learning arises as a new and challenging data collection paradigm where both samples and features are observed in fragmented subsets. Due to technological limits, measurement expense, or multimodal data integration, such patchwork data structures are frequently seen in neuroscience, healthcare, and genomics, among others. Instead of analyzing each data patch separately, it is highly desirable to extract comprehensive knowledge from the whole data set. In this work, we focus on the clustering problem in patchwork learning, aiming at discovering clusters amongst all samples even when some are never jointly observed for any feature. We propose a novel spectral clustering method called Cluster Quilting, consisting of (i) patch ordering that exploits the overlapping structure amongst all patches, (ii) patchwise SVD, (iii) sequential linear mapping of top singular vectors for patch overlaps, followed by (iv) k-means on the combined and weighted singular vectors. Under a sub-Gaussian mixture model, we establish theoretical guarantees via a non-asymptotic misclustering rate bound that reflects both properties of the patch-wise observation regime as well as the clustering signal and noise dependencies. We also validate our Cluster Quilting algorithm through extensive empirical studies on both simulated and real data sets in neuroscience and genomics, where it discovers more accurate and scientifically more plausible clusters than other approaches.
Evaluation of Missing Data Analytical Techniques in Longitudinal Research: Traditional and Machine Learning Approaches
Authors: Dandan Tang, Xin Tong
Date: 2024-06-19 00:00:00
Tasks: Imputation

Missing Not at Random (MNAR) and nonnormal data are challenging to handle. Traditional missing data analytical techniques such as full information maximum likelihood estimation (FIML) may fail with nonnormal data as they are built on normal distribution assumptions. Two-Stage Robust Estimation (TSRE) does manage nonnormal data, but both FIML and TSRE are less explored in longitudinal studies under MNAR conditions with nonnormal distributions. Unlike traditional statistical approaches, machine learning approaches do not require distributional assumptions about the data. More importantly, they have shown promise for MNAR data; however, their application in longitudinal studies, addressing both Missing at Random (MAR) and MNAR scenarios, is also underexplored. This study utilizes Monte Carlo simulations to assess and compare the effectiveness of six analytical techniques for missing data within the growth curve modeling framework. These techniques include traditional approaches like FIML and TSRE, machine learning approaches by single imputation (K-Nearest Neighbors and missForest), and machine learning approaches by multiple imputation (micecart and miceForest). We investigate the influence of sample size, missing data rate, missing data mechanism, and data distribution on the accuracy and efficiency of model estimation. Our findings indicate that FIML is most effective for MNAR data among the tested approaches. TSRE excels in handling MAR data, while missForest is only advantageous in limited conditions with a combination of very skewed distributions, very large sample sizes (e.g., n larger than 1000), and low missing data rates.
Under the Hood of Tabular Data Generation Models: Benchmarks with Extensive Tuning
Authors: G. Charbel N. Kindji, Lina Maria Rojas-Barahona, Elisa Fromont, Tanguy Urvoy
Date: 2024-06-18 00:00:00
Tasks: GPU, Hyperparameter Optimization, Imputation, Tabular Data Generation

The ability to train generative models that produce realistic, safe and useful tabular data is essential for data privacy, imputation, oversampling, explainability or simulation. However, generating tabular data is not straightforward due to its heterogeneity, non-smooth distributions, complex dependencies and imbalanced categorical features. Although diverse methods have been proposed in the literature, there is a need for a unified evaluation, under the same conditions, on a variety of datasets. This study addresses this need by fully considering the optimization of: hyperparameters, feature encodings, and architectures. We investigate the impact of dataset-specific tuning on five recent model families for tabular data generation through an extensive benchmark on 16 datasets. These datasets vary in terms of size (an average of 80,000 rows), data types, and domains. We also propose a reduced search space for each model that allows for quick optimization, achieving nearly equivalent performance at a significantly lower cost. Our benchmark demonstrates that, for most models, large-scale dataset-specific tuning substantially improves performance compared to the original configurations. Furthermore, we confirm that diffusion-based models generally outperform other models on tabular data. However, this advantage is not significant when the entire tuning and training process is restricted to the same GPU budget.
The Promise of Analog Deep Learning: Recent Advances, Challenges and Opportunities
Authors: Aditya Datar, Pramit Saha
Date: 2024-06-13 00:00:00
Tasks: Deep Learning

Much of the present-day Artificial Intelligence (AI) utilizes artificial neural networks, which are sophisticated computational models designed to recognize patterns and solve complex problems by learning from data. However, a major bottleneck occurs during a device's calculation of weighted sums for forward propagation and optimization procedure for backpropagation, especially for deep neural networks, or networks with numerous layers. Exploration into different methods of implementing neural networks is necessary for further advancement of the area. While a great deal of research into AI hardware in both directions, analog and digital implementation widely exists, much of the existing survey works lacks discussion on the progress of analog deep learning. To this end, we attempt to evaluate and specify the advantages and disadvantages, along with the current progress with regards to deep learning, for analog implementations. In this paper, our focus lies on the comprehensive examination of eight distinct analog deep learning methodologies across multiple key parameters. These parameters include attained accuracy levels, application domains, algorithmic advancements, computational speed, and considerations of energy efficiency and power consumption. We also identify the neural network-based experiments implemented using these hardware devices and discuss comparative performance achieved by the different analog deep learning methods along with an analysis of their current limitations. Overall, we find that Analog Deep Learning has great potential for future consumer-level applications, but there is still a long road ahead in terms of scalability. Most of the current implementations are more proof of concept and are not yet practically deployable for large-scale models.
Rating Multi-Modal Time-Series Forecasting Models (MM-TSFM) for Robustness Through a Causal Lens
Authors: Kausik Lakkaraju, Rachneet Kaur, Zhen Zeng, Parisa Zehtabi, Sunandita Patra, Biplav Srivastava, Marco Valtorta
Date: 2024-06-12 00:00:00
Tasks: Time Series, Time Series Forecasting

AI systems are notorious for their fragility; minor input changes can potentially cause major output swings. When such systems are deployed in critical areas like finance, the consequences of their uncertain behavior could be severe. In this paper, we focus on multi-modal time-series forecasting, where imprecision due to noisy or incorrect data can lead to erroneous predictions, impacting stakeholders such as analysts, investors, and traders. Recently, it has been shown that beyond numeric data, graphical transformations can be used with advanced visual models to achieve better performance. In this context, we introduce a rating methodology to assess the robustness of Multi-Modal Time-Series Forecasting Models (MM-TSFM) through causal analysis, which helps us understand and quantify the isolated impact of various attributes on the forecasting accuracy of MM-TSFM. We apply our novel rating method on a variety of numeric and multi-modal forecasting models in a large experimental setup (six input settings of control and perturbations, ten data distributions, time series from six leading stocks in three industries over a year of data, and five time-series forecasters) to draw insights on robust forecasting models and the context of their strengths. Within the scope of our study, our main result is that multi-modal (numeric + visual) forecasting, which was found to be more accurate than numeric forecasting in previous studies, can also be more robust in diverse settings. Our work will help different stakeholders of time-series forecasting understand the models` behaviors along trust (robustness) and accuracy dimensions to select an appropriate model for forecasting using our rating method, leading to improved decision-making.
LARP: Language Audio Relational Pre-training for Cold-Start Playlist Continuation
Authors: Rebecca Salganik, Xiaohao Liu, Yunshan Ma, Jian Kang, Tat-Seng Chua
Date: 2024-06-20 00:00:00
Tasks: Collaborative Filtering, Contrastive Learning, Representation Learning

As online music consumption increasingly shifts towards playlist-based listening, the task of playlist continuation, in which an algorithm suggests songs to extend a playlist in a personalized and musically cohesive manner, has become vital to the success of music streaming. Currently, many existing playlist continuation approaches rely on collaborative filtering methods to perform recommendation. However, such methods will struggle to recommend songs that lack interaction data, an issue known as the cold-start problem. Current approaches to this challenge design complex mechanisms for extracting relational signals from sparse collaborative data and integrating them into content representations. However, these approaches leave content representation learning out of scope and utilize frozen, pre-trained content models that may not be aligned with the distribution or format of a specific musical setting. Furthermore, even the musical state-of-the-art content modules are either (1) incompatible with the cold-start setting or (2) unable to effectively integrate cross-modal and relational signals. In this paper, we introduce LARP, a multi-modal cold-start playlist continuation model, to effectively overcome these limitations. LARP is a three-stage contrastive learning framework that integrates both multi-modal and relational signals into its learned representations. Our framework uses increasing stages of task-specific abstraction: within-track (language-audio) contrastive loss, track-track contrastive loss, and track-playlist contrastive loss. Experimental results on two publicly available datasets demonstrate the efficacy of LARP over uni-modal and multi-modal models for playlist continuation in a cold-start setting. Code and dataset are released at: https://github.com/Rsalganik1123/LARP.
EAGER: Two-Stream Generative Recommender with Behavior-Semantic Collaboration
Authors: Ye Wang, Jiahao Xun, Minjie Hong, Jieming Zhu, Tao Jin, Wang Lin, Haoyuan Li, Linjun Li, Yan Xia, Zhou Zhao, Zhenhua Dong
Date: 2024-06-20 00:00:00
Tasks: Retrieval, Sequential Recommendation

Generative retrieval has recently emerged as a promising approach to sequential recommendation, framing candidate item retrieval as an autoregressive sequence generation problem. However, existing generative methods typically focus solely on either behavioral or semantic aspects of item information, neglecting their complementary nature and thus resulting in limited effectiveness. To address this limitation, we introduce EAGER, a novel generative recommendation framework that seamlessly integrates both behavioral and semantic information. Specifically, we identify three key challenges in combining these two types of information: a unified generative architecture capable of handling two feature types, ensuring sufficient and independent learning for each type, and fostering subtle interactions that enhance collaborative information utilization. To achieve these goals, we propose (1) a two-stream generation architecture leveraging a shared encoder and two separate decoders to decode behavior tokens and semantic tokens with a confidence-based ranking strategy; (2) a global contrastive task with summary tokens to achieve discriminative decoding for each type of information; and (3) a semantic-guided transfer task designed to implicitly promote cross-interactions through reconstruction and estimation objectives. We validate the effectiveness of EAGER on four public benchmarks, demonstrating its superior performance compared to existing methods.
Unifying Graph Convolution and Contrastive Learning in Collaborative Filtering
Authors: Yihong Wu, Le Zhang, Fengran Mo, Tianyu Zhu, Weizhi Ma, Jian-Yun Nie
Date: 2024-06-20 00:00:00
Tasks: Collaborative Filtering, Contrastive Learning

Graph-based models and contrastive learning have emerged as prominent methods in Collaborative Filtering (CF). While many existing models in CF incorporate these methods in their design, there seems to be a limited depth of analysis regarding the foundational principles behind them. This paper bridges graph convolution, a pivotal element of graph-based models, with contrastive learning through a theoretical framework. By examining the learning dynamics and equilibrium of the contrastive loss, we offer a fresh lens to understand contrastive learning via graph theory, emphasizing its capability to capture high-order connectivity. Building on this analysis, we further show that the graph convolutional layers often used in graph-based models are not essential for high-order connectivity modeling and might contribute to the risk of oversmoothing. Stemming from our findings, we introduce Simple Contrastive Collaborative Filtering (SCCF), a simple and effective algorithm based on a naive embedding model and a modified contrastive loss. The efficacy of the algorithm is demonstrated through extensive experiments across four public datasets. The experiment code is available at \url{https://github.com/wu1hong/SCCF}. \end{abstract}