pwc-archive/papers-with-abstracts huggingface dataset:
Word Sense Disambiguation in Persian: Can AI Finally Get It Right?
Authors: Seyed Moein Ayyoubzadeh, Kourosh Shahnazari
Date: 2024-05-24 00:00:00
Tasks: Navigate, Sentence, Word Sense Disambiguation

Homograph disambiguation, the task of distinguishing words with identical spellings but different meanings, poses a substantial challenge in natural language processing. In this study, we introduce a novel dataset tailored for Persian homograph disambiguation. Our work encompasses a thorough exploration of various embeddings, evaluated through the cosine similarity method and their efficacy in downstream tasks like classification. Our investigation entails training a diverse array of lightweight machine learning and deep learning models for phonograph disambiguation. We scrutinize the models' performance in terms of Accuracy, Recall, and F1 Score, thereby gaining insights into their respective strengths and limitations. The outcomes of our research underscore three key contributions. First, we present a newly curated Persian dataset, providing a solid foundation for future research in homograph disambiguation. Second, our comparative analysis of embeddings highlights their utility in different contexts, enriching the understanding of their capabilities. Third, by training and evaluating a spectrum of models, we extend valuable guidance for practitioners in selecting suitable strategies for homograph disambiguation tasks. In summary, our study unveils a new dataset, scrutinizes embeddings through diverse perspectives, and benchmarks various models for homograph disambiguation. These findings empower researchers and practitioners to navigate the intricate landscape of homograph-related challenges effectively.
Explaining Graph Neural Networks with Large Language Models: A Counterfactual Perspective for Molecular Property Prediction
Authors: Yinhan He, Zaiyi Zheng, Patrick Soga, Yaozhen Zhu, Yushun Dong, Jundong Li
Date: 2024-10-19 00:00:00
Tasks: counterfactual, Counterfactual Explanation, Decision Making, Drug Discovery, Hallucination, Molecular Property Prediction, Property Prediction

In recent years, Graph Neural Networks (GNNs) have become successful in molecular property prediction tasks such as toxicity analysis. However, due to the black-box nature of GNNs, their outputs can be concerning in high-stakes decision-making scenarios, e.g., drug discovery. Facing such an issue, Graph Counterfactual Explanation (GCE) has emerged as a promising approach to improve GNN transparency. However, current GCE methods usually fail to take domain-specific knowledge into consideration, which can result in outputs that are not easily comprehensible by humans. To address this challenge, we propose a novel GCE method, LLM-GCE, to unleash the power of large language models (LLMs) in explaining GNNs for molecular property prediction. Specifically, we utilize an autoencoder to generate the counterfactual graph topology from a set of counterfactual text pairs (CTPs) based on an input graph. Meanwhile, we also incorporate a CTP dynamic feedback module to mitigate LLM hallucination, which provides intermediate feedback derived from the generated counterfactuals as an attempt to give more faithful guidance. Extensive experiments demonstrate the superior performance of LLM-GCE. Our code is released on https://github.com/YinhanHe123/new\_LLM4GNNExplanation.
Pipeline Gradient-based Model Training on Analog In-memory Accelerators
Authors: Zhaoxian Wu, Quan Xiao, Tayfun Gokmen, Hsinyu Tsai, Kaoutar El Maghraoui, Tianyi Chen
Date: 2024-10-19 00:00:00

Aiming to accelerate the training of large deep neural models (DNN) in an energy-efficient way, an analog in-memory computing (AIMC) accelerator emerges as a solution with immense potential. In AIMC accelerators, trainable weights are kept in memory without the need to move from memory to processors during the training, reducing a bunch of overhead. However, although the in-memory feature enables efficient computation, it also constrains the use of data parallelism since copying weights from one AIMC to another is expensive. To enable parallel training using AIMC, we propose synchronous and asynchronous pipeline parallelism for AIMC accelerators inspired by the pipeline in digital domains. This paper provides a theoretical convergence guarantee for both synchronous and asynchronous pipelines in terms of both sampling and clock cycle complexity, which is non-trivial since the physical characteristic of AIMC accelerators leads to analog updates that suffer from asymmetric bias. The simulations of training DNN on real datasets verify the efficiency of pipeline training.
Less is More: Parameter-Efficient Selection of Intermediate Tasks for Transfer Learning
Authors: David Schulte, Felix Hamborg, Alan Akbik
Date: 2024-10-19 00:00:00
Tasks: Avg, Language Modeling, Language Modelling, Sentiment Analysis, Sentiment Classification, Transfer Learning

Intermediate task transfer learning can greatly improve model performance. If, for example, one has little training data for emotion detection, first fine-tuning a language model on a sentiment classification dataset may improve performance strongly. But which task to choose for transfer learning? Prior methods producing useful task rankings are infeasible for large source pools, as they require forward passes through all source language models. We overcome this by introducing Embedding Space Maps (ESMs), light-weight neural networks that approximate the effect of fine-tuning a language model. We conduct the largest study on NLP task transferability and task selection with 12k source-target pairs. We find that applying ESMs on a prior method reduces execution time and disk space usage by factors of 10 and 278, respectively, while retaining high selection performance (avg. regret@5 score of 2.95).
Collaborative State Fusion in Partially Known Multi-agent Environments
Authors: Tianlong Zhou, Jun Shang, Weixiong Rao
Date: 2024-10-19 00:00:00
Tasks: State Estimation

In this paper, we study the collaborative state fusion problem in a multi-agent environment, where mobile agents collaborate to track movable targets. Due to the limited sensing range and potential errors of on-board sensors, it is necessary to aggregate individual observations to provide target state fusion for better target state estimation. Existing schemes do not perform well due to (1) impractical assumption of the fully known prior target state-space model and (2) observation outliers from individual sensors. To address the issues, we propose a two-stage collaborative fusion framework, namely \underline{L}earnable Weighted R\underline{o}bust \underline{F}usion (\textsf{LoF}). \textsf{LoF} combines a local state estimator (e.g., Kalman Filter) with a learnable weight generator to address the mismatch between the prior state-space model and underlying patterns of moving targets. Moreover, given observation outliers, we develop a time-series soft medoid(TSM) scheme to perform robust fusion. We evaluate \textsf{LoF} in a collaborative detection simulation environment with promising results. In an example setting with 4 agents and 2 targets, \textsf{LoF} leads to a 9.1\% higher fusion gain compared to the state-of-the-art.
Controllable RANSAC-based Anomaly Detection via Hypothesis Testing
Authors: Le Hong Phong, Ho Ngoc Luat, Vo Nguyen Le Duy
Date: 2024-10-19 00:00:00
Tasks: Anomaly Detection, regression

Detecting the presence of anomalies in regression models is a crucial task in machine learning, as anomalies can significantly impact the accuracy and reliability of predictions. Random Sample Consensus (RANSAC) is one of the most popular robust regression methods for addressing this challenge. However, this method lacks the capability to guarantee the reliability of the anomaly detection (AD) results. In this paper, we propose a novel statistical method for testing the AD results obtained by RANSAC, named CTRL-RANSAC (controllable RANSAC). The key strength of the proposed method lies in its ability to control the probability of misidentifying anomalies below a pre-specified level $\alpha$ (e.g., $\alpha = 0.05$). By examining the selection strategy of RANSAC and leveraging the Selective Inference (SI) framework, we prove that achieving controllable RANSAC is indeed feasible. Furthermore, we introduce a more strategic and computationally efficient approach to enhance the true detection rate and overall performance of the CTRL-RANSAC. Experiments conducted on synthetic and real-world datasets robustly support our theoretical results, showcasing the superior performance of the proposed method.
Generalizable Prediction Model of Molten Salt Mixture Density with Chemistry-Informed Transfer Learning
Authors: Julian Barra, Shayan Shahbazi, Anthony Birri, Rajni Chahal, Ibrahim Isah, Muhammad Nouman Anwar, Tyler Starkus, Prasanna Balaprakash, Stephen Lam
Date: 2024-10-19 00:00:00
Tasks: Transfer Learning

Optimally designing molten salt applications requires knowledge of their thermophysical properties, but existing databases are incomplete, and experiments are challenging. Ideal mixing and Redlich-Kister models are computationally cheap but lack either accuracy or generality. To address this, a transfer learning approach using deep neural networks (DNNs) is proposed, combining Redlich-Kister models, experimental data, and ab initio properties. The approach predicts molten salt density with high accuracy ($r^{2}$ > 0.99, MAPE < 1%), outperforming the alternatives.
Accelerating k-Means Clustering with Cover Trees
Authors: Andreas Lang, Erich Schubert
Date: 2024-10-19 00:00:00
Tasks: Clustering

The k-means clustering algorithm is a popular algorithm that partitions data into k clusters. There are many improvements to accelerate the standard algorithm. Most current research employs upper and lower bounds on point-to-cluster distances and the triangle inequality to reduce the number of distance computations, with only arrays as underlying data structures. These approaches cannot exploit that nearby points are likely assigned to the same cluster. We propose a new k-means algorithm based on the cover tree index, that has relatively low overhead and performs well, for a wider parameter range, than previous approaches based on the k-d tree. By combining this with upper and lower bounds, as in state-of-the-art approaches, we obtain a hybrid algorithm that combines the benefits of tree aggregation and bounds-based filtering.
The shape of the brain's connections is predictive of cognitive performance: an explainable machine learning study
Authors: Yui Lo, Yuqian Chen, Dongnan Liu, Wan Liu, Leo Zekelman, Jarrett Rushmore, Fan Zhang, Yogesh Rathi, Nikos Makris, Alexandra J. Golby, Weidong Cai, Lauren J. O'Donnell
Date: 2024-10-19 00:00:00
Tasks: Diffusion  MRI

The shape of the brain's white matter connections is relatively unexplored in diffusion MRI tractography analysis. While it is known that tract shape varies in populations and across the human lifespan, it is unknown if the variability in dMRI tractography-derived shape may relate to the brain's functional variability across individuals. This work explores the potential of leveraging tractography fiber cluster shape measures to predict subject-specific cognitive performance. We implement machine learning models to predict individual cognitive performance scores. We study a large-scale database from the HCP-YA study. We apply an atlas-based fiber cluster parcellation to the dMRI tractography of each individual. We compute 15 shape, microstructure, and connectivity features for each fiber cluster. Using these features as input, we train a total of 210 models to predict 7 different NIH Toolbox cognitive performance assessments. We apply an explainable AI technique, SHAP, to assess the importance of each fiber cluster for prediction. Our results demonstrate that shape measures are predictive of individual cognitive performance. The studied shape measures, such as irregularity, diameter, total surface area, volume, and branch volume, are as effective for prediction as microstructure and connectivity measures. The overall best-performing feature is a shape feature, irregularity, which describes how different a cluster's shape is from an idealized cylinder. Further interpretation using SHAP values suggest that fiber clusters with features highly predictive of cognitive ability are widespread throughout the brain, including fiber clusters from the superficial association, deep association, cerebellar, striatal, and projection pathways. This study demonstrates the strong potential of shape descriptors to enhance the study of the brain's white matter and its relationship to cognitive function.
Deep Equilibrium Algorithmic Reasoning
Authors: Dobrik Georgiev, JJ Wilson, Davide Buffelli, Pietro Liò
Date: 2024-10-19 00:00:00

Neural Algorithmic Reasoning (NAR) research has demonstrated that graph neural networks (GNNs) could learn to execute classical algorithms. However, most previous approaches have always used a recurrent architecture, where each iteration of the GNN matches an iteration of the algorithm. In this paper we study neurally solving algorithms from a different perspective: since the algorithm's solution is often an equilibrium, it is possible to find the solution directly by solving an equilibrium equation. Our approach requires no information on the ground-truth number of steps of the algorithm, both during train and test time. Furthermore, the proposed method improves the performance of GNNs on executing algorithms and is a step towards speeding up existing NAR models. Our empirical evidence, leveraging algorithms from the CLRS-30 benchmark, validates that one can train a network to solve algorithmic problems by directly finding the equilibrium. We discuss the practical implementation of such models and propose regularisations to improve the performance of these equilibrium reasoners.
Asymptotic Time-Uniform Inference for Parameters in Averaged Stochastic Approximation
Authors: Chuhan Xie, Kaicheng Jin, Jiadong Liang, Zhihua Zhang
Date: 2024-10-19 00:00:00
Tasks: valid

We study time-uniform statistical inference for parameters in stochastic approximation (SA), which encompasses a bunch of applications in optimization and machine learning. To that end, we analyze the almost-sure convergence rates of the averaged iterates to a scaled sum of Gaussians in both linear and nonlinear SA problems. We then construct three types of asymptotic confidence sequences that are valid uniformly across all times with coverage guarantees, in an asymptotic sense that the starting time is sufficiently large. These coverage guarantees remain valid if the unknown covariance matrix is replaced by its plug-in estimator, and we conduct experiments to validate our methodology.
Weakly-supervised diagnosis identification from Italian discharge letters
Authors: Vittorio Torri, Elisa Barbieri, Anna Cantarutti, Carlo Giaquinto, Francesca Ieva
Date: 2024-10-19 00:00:00
Tasks: Document Classification, text-classification, Text Classification

Objective: Recognizing diseases from discharge letters is crucial for cohort selection and epidemiological analyses, as this is the only type of data consistently produced across hospitals. This is a classic document classification problem, typically requiring supervised learning. However, manual annotation of large datasets of discharge letters is uncommon since it is extremely time-consuming. We propose a novel weakly-supervised pipeline to recognize diseases from Italian discharge letters. Methods: Our Natural Language Processing pipeline is based on a fine-tuned version of the Italian Umberto model. The pipeline extracts diagnosis-related sentences from a subset of letters and applies a two-level clustering using the embeddings generated by the fine-tuned Umberto model. These clusters are summarized and those mapped to the diseases of interest are selected as weak labels. Finally, the same BERT-based model is trained using these weak labels to detect the targeted diseases. Results: A case study related to the identification of bronchiolitis with 33'176 Italian discharge letters from 44 hospitals in the Veneto Region shows the potential of our method, with an AUC of 77.7 % and an F1-Score of 75.1 % on manually annotated labels, improving compared to other non-supervised methods and with a limited loss compared to fully supervised methods. Results are robust to the cluster selection and the identified clusters highlight the potential to recognize a variety of diseases. Conclusions: This study demonstrates the feasibility of diagnosis identification from Italian discharge letters in the absence of labelled data. Our pipeline showed strong performance and robustness, and its flexibility allows for easy adaptation to various diseases. This approach offers a scalable solution for clinical text classification, reducing the need for manual annotation while maintaining good accuracy.
Testing the Efficacy of Hyperparameter Optimization Algorithms in Short-Term Load Forecasting
Authors: Tugrul Cabir Hakyemez, Omer Adar
Date: 2024-10-19 00:00:00
Tasks: Bayesian Optimization, Hyperparameter Optimization, Load Forecasting

Accurate forecasting of electrical demand is essential for maintaining a stable and reliable power grid, optimizing the allocation of energy resources, and promoting efficient energy consumption practices. This study investigates the effectiveness of five hyperparameter optimization (HPO) algorithms -- Random Search, Covariance Matrix Adaptation Evolution Strategy (CMA--ES), Bayesian Optimization, Partial Swarm Optimization (PSO), and Nevergrad Optimizer (NGOpt) across univariate and multivariate Short-Term Load Forecasting (STLF) tasks. Using the Panama Electricity dataset (n=48,049), we evaluate HPO algorithms' performances on a surrogate forecasting algorithm, XGBoost, in terms of accuracy (i.e., MAPE, $R^2$) and runtime. Performance plots visualize these metrics across varying sample sizes from 1,000 to 20,000, and Kruskal--Wallis tests assess the statistical significance of the performance differences. Results reveal significant runtime advantages for HPO algorithms over Random Search. In univariate models, Bayesian optimization exhibited the lowest accuracy among the tested methods. This study provides valuable insights for optimizing XGBoost in the STLF context and identifies areas for future research.
Statistical Inference for Feature Selection after Optimal Transport-based Domain Adaptation
Authors: Nguyen Thang Loi, Duong Tan Loc, Vo Nguyen Le Duy
Date: 2024-10-19 00:00:00
Tasks: Domain Adaptation, feature selection

Feature Selection (FS) under domain adaptation (DA) is a critical task in machine learning, especially when dealing with limited target data. However, existing methods lack the capability to guarantee the reliability of FS under DA. In this paper, we introduce a novel statistical method to statistically test FS reliability under DA, named SFS-DA (statistical FS-DA). The key strength of SFS-DA lies in its ability to control the false positive rate (FPR) below a pre-specified level $\alpha$ (e.g., 0.05) while maximizing the true positive rate. Compared to the literature on statistical FS, SFS-DA presents a unique challenge in addressing the effect of DA to ensure the validity of the inference on FS results. We overcome this challenge by leveraging the Selective Inference (SI) framework. Specifically, by carefully examining the FS process under DA whose operations can be characterized by linear and quadratic inequalities, we prove that achieving FPR control in SFS-DA is indeed possible. Furthermore, we enhance the true detection rate by introducing a more strategic approach. Experiments conducted on both synthetic and real-world datasets robustly support our theoretical results, showcasing the superior performance of the proposed SFS-DA method.
Iterative Methods via Locally Evolving Set Process
Authors: Baojian Zhou, Yifan Sun, Reza Babanezhad Harikandeh, Xingzhi Guo, Deqing Yang, Yanghua Xiao
Date: 2024-10-19 00:00:00

Given the damping factor $\alpha$ and precision tolerance $\epsilon$, \citet{andersen2006local} introduced Approximate Personalized PageRank (APPR), the \textit{de facto local method} for approximating the PPR vector, with runtime bounded by $\Theta(1/(\alpha\epsilon))$ independent of the graph size. Recently, \citet{fountoulakis2022open} asked whether faster local algorithms could be developed using $\tilde{O}(1/(\sqrt{\alpha}\epsilon))$ operations. By noticing that APPR is a local variant of Gauss-Seidel, this paper explores the question of \textit{whether standard iterative solvers can be effectively localized}. We propose to use the \textit{locally evolving set process}, a novel framework to characterize the algorithm locality, and demonstrate that many standard solvers can be effectively localized. Let $\overline{\operatorname{vol}}{ (S_t)}$ and $\overline{\gamma}_{t}$ be the running average of volume and the residual ratio of active nodes $\textstyle S_{t}$ during the process. We show $\overline{\operatorname{vol}}{ (S_t)}/\overline{\gamma}_{t} \leq 1/\epsilon$ and prove APPR admits a new runtime bound $\tilde{O}(\overline{\operatorname{vol}}(S_t)/(\alpha\overline{\gamma}_{t}))$ mirroring the actual performance. Furthermore, when the geometric mean of residual reduction is $\Theta(\sqrt{\alpha})$, then there exists $c \in (0,2)$ such that the local Chebyshev method has runtime $\tilde{O}(\overline{\operatorname{vol}}(S_{t})/(\sqrt{\alpha}(2-c)))$ without the monotonicity assumption. Numerical results confirm the efficiency of this novel framework and show up to a hundredfold speedup over corresponding standard solvers on real-world graphs.
Time-Varying Convex Optimization with $O(n)$ Computational Complexity
Authors: M. Rostami, S. S. Kia
Date: 2024-10-19 00:00:00
Tasks: Model Predictive Control

In this article, we consider the problem of unconstrained time-varying convex optimization, where the cost function changes with time. We provide an in-depth technical analysis of the problem and argue why freezing the cost at each time step and taking finite steps toward the minimizer is not the best tracking solution for this problem. We propose a set of algorithms that by taking into account the temporal variation of the cost aim to reduce the tracking error of the time-varying minimizer of the problem. The main contribution of our work is that our proposed algorithms only require the first-order derivatives of the cost function with respect to the decision variable. This approach significantly reduces computational cost compared to the existing algorithms, which use the inverse of the Hessian of the cost. Specifically, the proposed algorithms reduce the computational cost from $O(n^3)$ to $O(n)$ per timestep, where $n$ is the size of the decision variable. Avoiding the inverse of the Hessian also makes our algorithms applicable to non-convex optimization problems. We refer to these algorithms as $O(n)$-algorithms. These $O(n)$-algorithms are designed to solve the problem for different scenarios based on the available temporal information about the cost. We illustrate our results through various examples, including the solution of a model predictive control problem framed as a convex optimization problem with a streaming time-varying cost function.