pwc-archive/papers-with-abstracts huggingface dataset:
Anytime Neural Architecture Search on Tabular Data
Authors: Naili Xing, Shaofeng Cai, Zhaojing Luo, Beng Chin Ooi, Jian Pei
Date: 2024-03-15 00:00:00
Tasks: Neural Architecture Search

The increasing demand for tabular data analysis calls for transitioning from manual architecture design to Neural Architecture Search (NAS). This transition demands an efficient and responsive anytime NAS approach that is capable of returning current optimal architectures within any given time budget while progressively enhancing architecture quality with increased budget allocation. However, the area of research on Anytime NAS for tabular data remains unexplored. To this end, we introduce ATLAS, the first anytime NAS approach tailored for tabular data. ATLAS introduces a novel two-phase filtering-and-refinement optimization scheme with joint optimization, combining the strengths of both paradigms of training-free and training-based architecture evaluation. Specifically, in the filtering phase, ATLAS employs a new zero-cost proxy specifically designed for tabular data to efficiently estimate the performance of candidate architectures, thereby obtaining a set of promising architectures. Subsequently, in the refinement phase, ATLAS leverages a fixed-budget search algorithm to schedule the training of the promising candidates, so as to accurately identify the optimal architecture. To jointly optimize the two phases for anytime NAS, we also devise a budget-aware coordinator that delivers high NAS performance within constraints. Experimental evaluations demonstrate that our ATLAS can obtain a good-performing architecture within any predefined time budget and return better architectures as and when a new time budget is made available. Overall, it reduces the search time on tabular data by up to 82.75x compared to existing NAS approaches.
DSP: Dynamic Sequence Parallelism for Multi-Dimensional Transformers
Authors: Xuanlei Zhao, Shenggan Cheng, Chang Chen, Zangwei Zheng, Ziming Liu, Zheming Yang, Yang You
Date: 2024-03-15 00:00:00
Tasks: Text Generation, Video Generation

Scaling multi-dimensional transformers to long sequences is indispensable across various domains. However, the challenges of large memory requirements and slow speeds of such sequences necessitate sequence parallelism. All existing approaches fall under the category of embedded sequence parallelism, which are limited to shard along a single sequence dimension, thereby introducing significant communication overhead. However, the nature of multi-dimensional transformers involves independent calculations across multiple sequence dimensions. To this end, we propose Dynamic Sequence Parallelism (DSP) as a novel abstraction of sequence parallelism. DSP dynamically switches the parallel dimension among all sequences according to the computation stage with efficient resharding strategy. DSP offers significant reductions in communication costs, adaptability across modules, and ease of implementation with minimal constraints. Experimental evaluations demonstrate DSP's superiority over state-of-the-art embedded sequence parallelism methods by remarkable throughput improvements ranging from 32.2% to 10x, with less than 25% communication volume.
Open Continual Feature Selection via Granular-Ball Knowledge Transfer
Authors: Xuemei Cao, Xin Yang, Shuyin Xia, Guoyin Wang, Tianrui Li
Date: 2024-03-15 00:00:00
Tasks: Continual Learning, feature selection, Transfer Learning

This paper presents a novel framework for continual feature selection (CFS) in data preprocessing, particularly in the context of an open and dynamic environment where unknown classes may emerge. CFS encounters two primary challenges: the discovery of unknown knowledge and the transfer of known knowledge. To this end, the proposed CFS method combines the strengths of continual learning (CL) with granular-ball computing (GBC), which focuses on constructing a granular-ball knowledge base to detect unknown classes and facilitate the transfer of previously learned knowledge for further feature selection. CFS consists of two stages: initial learning and open learning. The former aims to establish an initial knowledge base through multi-granularity representation using granular-balls. The latter utilizes prior granular-ball knowledge to identify unknowns, updates the knowledge base for granular-ball knowledge transfer, reinforces old knowledge, and integrates new knowledge. Subsequently, we devise an optimal feature subset mechanism that incorporates minimal new features into the existing optimal subset, often yielding superior results during each period. Extensive experimental results on public benchmark datasets demonstrate our method's superiority in terms of both effectiveness and efficiency compared to state-of-the-art feature selection methods.
Interpretable Machine Learning for Survival Analysis
Authors: Sophie Hanna Langbein, Mateusz Krzyziński, Mikołaj Spytek, Hubert Baniecki, Przemysław Biecek, Marvin N. Wright
Date: 2024-03-15 00:00:00
Tasks: Explainable artificial intelligence, Explainable Artificial Intelligence (XAI), Fairness, Feature Importance, Interpretable Machine Learning, Survival Analysis

With the spread and rapid advancement of black box machine learning models, the field of interpretable machine learning (IML) or explainable artificial intelligence (XAI) has become increasingly important over the last decade. This is particularly relevant for survival analysis, where the adoption of IML techniques promotes transparency, accountability and fairness in sensitive areas, such as clinical decision making processes, the development of targeted therapies, interventions or in other medical or healthcare related contexts. More specifically, explainability can uncover a survival model's potential biases and limitations and provide more mathematically sound ways to understand how and which features are influential for prediction or constitute risk factors. However, the lack of readily available IML methods may have deterred medical practitioners and policy makers in public health from leveraging the full potential of machine learning for predicting time-to-event data. We present a comprehensive review of the limited existing amount of work on IML methods for survival analysis within the context of the general IML taxonomy. In addition, we formally detail how commonly used IML methods, such as such as individual conditional expectation (ICE), partial dependence plots (PDP), accumulated local effects (ALE), different feature importance measures or Friedman's H-interaction statistics can be adapted to survival outcomes. An application of several IML methods to real data on data on under-5 year mortality of Ghanaian children from the Demographic and Health Surveys (DHS) Program serves as a tutorial or guide for researchers, on how to utilize the techniques in practice to facilitate understanding of model decisions or predictions.
Matrix Completion via Nonsmooth Regularization of Fully Connected Neural Networks
Authors: Sajad Faramarzi, Farzan Haddadi, Sajjad Amini, Masoud Ahookhosh
Date: 2024-03-15 00:00:00
Tasks: Matrix Completion, Missing Values

Conventional matrix completion methods approximate the missing values by assuming the matrix to be low-rank, which leads to a linear approximation of missing values. It has been shown that enhanced performance could be attained by using nonlinear estimators such as deep neural networks. Deep fully connected neural networks (FCNNs), one of the most suitable architectures for matrix completion, suffer from over-fitting due to their high capacity, which leads to low generalizability. In this paper, we control over-fitting by regularizing the FCNN model in terms of the $\ell_{1}$ norm of intermediate representations and nuclear norm of weight matrices. As such, the resulting regularized objective function becomes nonsmooth and nonconvex, i.e., existing gradient-based methods cannot be applied to our model. We propose a variant of the proximal gradient method and investigate its convergence to a critical point. In the initial epochs of FCNN training, the regularization terms are ignored, and through epochs, the effect of that increases. The gradual addition of nonsmooth regularization terms is the main reason for the better performance of the deep neural network with nonsmooth regularization terms (DNN-NSR) algorithm. Our simulations indicate the superiority of the proposed algorithm in comparison with existing linear and nonlinear algorithms.
Fast and reliable uncertainty quantification with neural network ensembles for industrial image classification
Authors: Arthur Thuy, Dries F. Benoit
Date: 2024-03-15 00:00:00
Tasks: Diversity, image-classification, Image Classification, Uncertainty Quantification

Image classification with neural networks (NNs) is widely used in industrial processes, situations where the model likely encounters unknown objects during deployment, i.e., out-of-distribution (OOD) data. Worryingly, NNs tend to make confident yet incorrect predictions when confronted with OOD data. To increase the models' reliability, they should quantify the uncertainty in their own predictions, communicating when the output should (not) be trusted. Deep ensembles, composed of multiple independent NNs, have been shown to perform strongly but are computationally expensive. Recent research has proposed more efficient NN ensembles, namely the snapshot, batch, and multi-input multi-output ensemble. This study investigates the predictive and uncertainty performance of efficient NN ensembles in the context of image classification for industrial processes. It is the first to provide a comprehensive comparison and it proposes a novel Diversity Quality metric to quantify the ensembles' performance on the in-distribution and OOD sets in one single metric. The results highlight the batch ensemble as a cost-effective and competitive alternative to the deep ensemble. It matches the deep ensemble in both uncertainty and accuracy while exhibiting considerable savings in training time, test time, and memory storage.
Explainability through uncertainty: Trustworthy decision-making with neural networks
Authors: Arthur Thuy, Dries F. Benoit
Date: 2024-03-15 00:00:00
Tasks: Decision Making, Explainable artificial intelligence, Explainable Artificial Intelligence (XAI)

Uncertainty is a key feature of any machine learning model and is particularly important in neural networks, which tend to be overconfident. This overconfidence is worrying under distribution shifts, where the model performance silently degrades as the data distribution diverges from the training data distribution. Uncertainty estimation offers a solution to overconfident models, communicating when the output should (not) be trusted. Although methods for uncertainty estimation have been developed, they have not been explicitly linked to the field of explainable artificial intelligence (XAI). Furthermore, literature in operations research ignores the actionability component of uncertainty estimation and does not consider distribution shifts. This work proposes a general uncertainty framework, with contributions being threefold: (i) uncertainty estimation in ML models is positioned as an XAI technique, giving local and model-specific explanations; (ii) classification with rejection is used to reduce misclassifications by bringing a human expert in the loop for uncertain observations; (iii) the framework is applied to a case study on neural networks in educational data mining subject to distribution shifts. Uncertainty as XAI improves the model's trustworthiness in downstream decision-making tasks, giving rise to more actionable and robust machine learning systems in operations research.
Online Policy Learning from Offline Preferences
Authors: Guoxi Zhang, Han Bao, Hisashi Kashima
Date: 2024-03-15 00:00:00
Tasks: continuous-control, Continuous Control

In preference-based reinforcement learning (PbRL), a reward function is learned from a type of human feedback called preference. To expedite preference collection, recent works have leveraged \emph{offline preferences}, which are preferences collected for some offline data. In this scenario, the learned reward function is fitted on the offline data. If a learning agent exhibits behaviors that do not overlap with the offline data, the learned reward function may encounter generalizability issues. To address this problem, the present study introduces a framework that consolidates offline preferences and \emph{virtual preferences} for PbRL, which are comparisons between the agent's behaviors and the offline data. Critically, the reward function can track the agent's behaviors using the virtual preferences, thereby offering well-aligned guidance to the agent. Through experiments on continuous control tasks, this study demonstrates the effectiveness of incorporating the virtual preferences in PbRL.
Regularization-Based Efficient Continual Learning in Deep State-Space Models
Authors: Yuanhang Zhang, Zhidi Lin, Yiyong Sun, Feng Yin, Carsten Fritsche
Date: 2024-03-15 00:00:00
Tasks: Continual Learning, State Space Models

Deep state-space models (DSSMs) have gained popularity in recent years due to their potent modeling capacity for dynamic systems. However, existing DSSM works are limited to single-task modeling, which requires retraining with historical task data upon revisiting a forepassed task. To address this limitation, we propose continual learning DSSMs (CLDSSMs), which are capable of adapting to evolving tasks without catastrophic forgetting. Our proposed CLDSSMs integrate mainstream regularization-based continual learning (CL) methods, ensuring efficient updates with constant computational and memory costs for modeling multiple dynamic systems. We also conduct a comprehensive cost analysis of each CL method applied to the respective CLDSSMs, and demonstrate the efficacy of CLDSSMs through experiments on real-world datasets. The results corroborate that while various competing CL methods exhibit different merits, the proposed CLDSSMs consistently outperform traditional DSSMs in terms of effectively addressing catastrophic forgetting, enabling swift and accurate parameter transfer to new tasks.
A Structure-Preserving Kernel Method for Learning Hamiltonian Systems
Authors: Jianyu Hu, Juan-Pablo Ortega, Daiying Yin
Date: 2024-03-15 00:00:00
Tasks: regression

A structure-preserving kernel ridge regression method is presented that allows the recovery of nonlinear Hamiltonian functions out of datasets made of noisy observations of Hamiltonian vector fields. The method proposes a closed-form solution that yields excellent numerical performances that surpass other techniques proposed in the literature in this setup. From the methodological point of view, the paper extends kernel regression methods to problems in which loss functions involving linear functions of gradients are required and, in particular, a differential reproducing property and a Representer Theorem are proved in this context. The relation between the structure-preserving kernel estimator and the Gaussian posterior mean estimator is analyzed. A full error analysis is conducted that provides convergence rates using fixed and adaptive regularization parameters. The good performance of the proposed estimator together with the convergence rate is illustrated with various numerical experiments.
Accurate and Data-Efficient Micro-XRD Phase Identification Using Multi-Task Learning: Application to Hydrothermal Fluids
Authors: Yanfei Li, Juejing Liu, Xiaodong Zhao, Wenjun Liu, Tong Geng, Ang Li, Xin Zhang
Date: 2024-03-15 00:00:00
Tasks: Binary Classification, Deep Learning, Multi-Task Learning

Traditional analysis of highly distorted micro-X-ray diffraction ({\mu}-XRD) patterns from hydrothermal fluid environments is a time-consuming process, often requiring substantial data preprocessing and labeled experimental data. This study demonstrates the potential of deep learning with a multitask learning (MTL) architecture to overcome these limitations. We trained MTL models to identify phase information in {\mu}-XRD patterns, minimizing the need for labeled experimental data and masking preprocessing steps. Notably, MTL models showed superior accuracy compared to binary classification CNNs. Additionally, introducing a tailored cross-entropy loss function improved MTL model performance. Most significantly, MTL models tuned to analyze raw and unmasked XRD patterns achieved close performance to models analyzing preprocessed data, with minimal accuracy differences. This work indicates that advanced deep learning architectures like MTL can automate arduous data handling tasks, streamline the analysis of distorted XRD patterns, and reduce the reliance on labor-intensive experimental datasets.
LyZNet: A Lightweight Python Tool for Learning and Verifying Neural Lyapunov Functions and Regions of Attraction
Authors: Jun Liu, Yiming Meng, Maxwell Fitzsimmons, Ruikun Zhou
Date: 2024-03-15 00:00:00

In this paper, we describe a lightweight Python framework that provides integrated learning and verification of neural Lyapunov functions for stability analysis. The proposed tool, named LyZNet, learns neural Lyapunov functions using physics-informed neural networks (PINNs) to solve Zubov's equation and verifies them using satisfiability modulo theories (SMT) solvers. What distinguishes this tool from others in the literature is its ability to provide verified regions of attraction close to the domain of attraction. This is achieved by encoding Zubov's partial differential equation (PDE) into the PINN approach. By embracing the non-convex nature of the underlying optimization problems, we demonstrate that in cases where convex optimization, such as semidefinite programming, fails to capture the domain of attraction, our neural network framework proves more successful. The tool also offers automatic decomposition of coupled nonlinear systems into a network of low-dimensional subsystems for compositional verification. We illustrate the tool's usage and effectiveness with several numerical examples, including both non-trivial low-dimensional nonlinear systems and high-dimensional systems. The repository of the tool can be found at https://git.uwaterloo.ca/hybrid-systems-lab/lyznet.
Graph Enhanced Reinforcement Learning for Effective Group Formation in Collaborative Problem Solving
Authors: Zheng Fang, Fucai Ke, Jae Young Han, Zhijie Feng, Toby Cai
Date: 2024-03-15 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning

This study addresses the challenge of forming effective groups in collaborative problem-solving environments. Recognizing the complexity of human interactions and the necessity for efficient collaboration, we propose a novel approach leveraging graph theory and reinforcement learning. Our methodology involves constructing a graph from a dataset where nodes represent participants, and edges signify the interactions between them. We conceptualize each participant as an agent within a reinforcement learning framework, aiming to learn an optimal graph structure that reflects effective group dynamics. Clustering techniques are employed to delineate clear group structures based on the learned graph. Our approach provides theoretical solutions based on evaluation metrics and graph measurements, offering insights into potential improvements in group effectiveness and reductions in conflict incidences. This research contributes to the fields of collaborative work and educational psychology by presenting a data-driven, analytical approach to group formation. It has practical implications for organizational team building, classroom settings, and any collaborative scenario where group dynamics are crucial. The study opens new avenues for exploring the application of graph theory and reinforcement learning in social and behavioral sciences, highlighting the potential for empirical validation in future work.
Prediction of Vessel Arrival Time to Pilotage Area Using Multi-Data Fusion and Deep Learning
Authors: Xiaocai Zhang, Xiuju Fu, Zhe Xiao, Haiyan Xu, Xiaoyang Wei, Jimmy Koh, Daichi Ogawa, Zheng Qin
Date: 2024-03-15 00:00:00
Tasks: Density Estimation, Prediction

This paper investigates the prediction of vessels' arrival time to the pilotage area using multi-data fusion and deep learning approaches. Firstly, the vessel arrival contour is extracted based on Multivariate Kernel Density Estimation (MKDE) and clustering. Secondly, multiple data sources, including Automatic Identification System (AIS), pilotage booking information, and meteorological data, are fused before latent feature extraction. Thirdly, a Temporal Convolutional Network (TCN) framework that incorporates a residual mechanism is constructed to learn the hidden arrival patterns of the vessels. Extensive tests on two real-world data sets from Singapore have been conducted and the following promising results have been obtained: 1) fusion of pilotage booking information and meteorological data improves the prediction accuracy, with pilotage booking information having a more significant impact; 2) using discrete embedding for the meteorological data performs better than using continuous embedding; 3) the TCN outperforms the state-of-the-art baseline methods in regression tasks, exhibiting Mean Absolute Error (MAE) ranging from 4.58 min to 4.86 min; and 4) approximately 89.41% to 90.61% of the absolute prediction residuals fall within a time frame of 10 min.
Online GNN Evaluation Under Test-time Graph Distribution Shifts
Authors: Xin Zheng, Dongjin Song, Qingsong Wen, Bo Du, Shirui Pan
Date: 2024-03-15 00:00:00

Evaluating the performance of a well-trained GNN model on real-world graphs is a pivotal step for reliable GNN online deployment and serving. Due to a lack of test node labels and unknown potential training-test graph data distribution shifts, conventional model evaluation encounters limitations in calculating performance metrics (e.g., test error) and measuring graph data-level discrepancies, particularly when the training graph used for developing GNNs remains unobserved during test time. In this paper, we study a new research problem, online GNN evaluation, which aims to provide valuable insights into the well-trained GNNs's ability to effectively generalize to real-world unlabeled graphs under the test-time graph distribution shifts. Concretely, we develop an effective learning behavior discrepancy score, dubbed LeBeD, to estimate the test-time generalization errors of well-trained GNN models. Through a novel GNN re-training strategy with a parameter-free optimality criterion, the proposed LeBeD comprehensively integrates learning behavior discrepancies from both node prediction and structure reconstruction perspectives. This enables the effective evaluation of the well-trained GNNs' ability to capture test node semantics and structural representations, making it an expressive metric for estimating the generalization error in online GNN evaluation. Extensive experiments on real-world test graphs under diverse graph distribution shifts could verify the effectiveness of the proposed method, revealing its strong correlation with ground-truth test errors on various well-trained GNN models.
Recurrent Drafter for Fast Speculative Decoding in Large Language Models
Authors: Yunfei Cheng, Aonan Zhang, Xuanyu Zhang, Chong Wang, Yi Wang
Date: 2024-03-14 00:00:00
Tasks: Benchmarking, Knowledge Distillation

We present Recurrent Drafter (ReDrafter), an advanced speculative decoding approach that achieves state-of-the-art speedup for large language models (LLMs) inference. The performance gains are driven by three key aspects: (1) leveraging a recurrent neural network (RNN) as the draft model conditioning on LLM's hidden states, (2) applying a dynamic tree attention algorithm over beam search results to eliminate duplicated prefixes in candidate sequences, and (3) training through knowledge distillation from the LLM. ReDrafter accelerates Vicuna inference in MT-Bench by up to 2.8x with a PyTorch implementation on Nvidia H100 GPUs. To demonstrate its practicality in real environments, we also validated its effectiveness for on-device applications by implementing the approach in MLX and benchmarking performance on Metal GPUs in Apple Silicon chips, achieving up to 2.3x speedup.