pwc-archive/papers-with-abstracts huggingface dataset:
Music auto-tagging in the long tail: A few-shot approach
Authors: T. Aleksandra Ma, Alexander Lerch
Date: 2024-09-12 00:00:00
Tasks: Few-Shot Learning, Music Auto-Tagging, TAG, Transfer Learning

In the realm of digital music, using tags to efficiently organize and retrieve music from extensive databases is crucial for music catalog owners. Human tagging by experts is labor-intensive but mostly accurate, whereas automatic tagging through supervised learning has approached satisfying accuracy but is restricted to a predefined set of training tags. Few-shot learning offers a viable solution to expand beyond this small set of predefined tags by enabling models to learn from only a few human-provided examples to understand tag meanings and subsequently apply these tags autonomously. We propose to integrate few-shot learning methodology into multi-label music auto-tagging by using features from pre-trained models as inputs to a lightweight linear classifier, also known as a linear probe. We investigate different popular pre-trained features, as well as different few-shot parametrizations with varying numbers of classes and samples per class. Our experiments demonstrate that a simple model with pre-trained features can achieve performance close to state-of-the-art models while using significantly less training data, such as 20 samples per tag. Additionally, our linear probe performs competitively with leading models when trained on the entire training dataset. The results show that this transfer learning-based few-shot approach could effectively address the issue of automatically assigning long-tail tags with only limited labeled data.
Virtual Node Generation for Node Classification in Sparsely-Labeled Graphs
Authors: Hang Cui, Tarek Abdelzaher
Date: 2024-09-12 00:00:00
Tasks: Graph Learning, Meta-Learning, Node Classification, Self-Supervised Learning

In the broader machine learning literature, data-generation methods demonstrate promising results by generating additional informative training examples via augmenting sparse labels. Such methods are less studied in graphs due to the intricate dependencies among nodes in complex topology structures. This paper presents a novel node generation method that infuses a small set of high-quality synthesized nodes into the graph as additional labeled nodes to optimally expand the propagation of labeled information. By simply infusing additional nodes, the framework is orthogonal to the graph learning and downstream classification techniques, and thus is compatible with most popular graph pre-training (self-supervised learning), semi-supervised learning, and meta-learning methods. The contribution lies in designing the generated node set by solving a novel optimization problem. The optimization places the generated nodes in a manner that: (1) minimizes the classification loss to guarantee training accuracy and (2) maximizes label propagation to low-confidence nodes in the downstream task to ensure high-quality propagation. Theoretically, we show that the above dual optimization maximizes the global confidence of node classification. Our Experiments demonstrate statistically significant performance improvements over 14 baselines on 10 publicly available datasets.
Dataset-Free Weight-Initialization on Restricted Boltzmann Machine
Authors: Muneki Yasuda, Ryosuke Maeno, Chako Takahashi
Date: 2024-09-12 00:00:00

In feed-forward neural networks, dataset-free weight-initialization methods such as LeCun, Xavier (or Glorot), and He initializations have been developed. These methods randomly determine the initial values of weight parameters based on specific distributions (e.g., Gaussian or uniform distributions) without using training datasets. To the best of the authors' knowledge, such a dataset-free weight-initialization method is yet to be developed for restricted Boltzmann machines (RBMs), which are probabilistic neural networks consisting of two layers. In this study, we derive a dataset-free weight-initialization method for Bernoulli--Bernoulli RBMs based on statistical mechanical analysis. In the proposed weight-initialization method, the weight parameters are drawn from a Gaussian distribution with zero mean. The standard deviation of the Gaussian distribution is optimized based on our hypothesis that a standard deviation providing a larger layer correlation (LC) between the two layers improves the learning efficiency. The expression of the LC is derived based on a statistical mechanical analysis. The optimal value of the standard deviation corresponds to the maximum point of the LC. The proposed weight-initialization method is identical to Xavier initialization in a specific case (i.e., when the sizes of the two layers are the same, the random variables of the layers are $\{-1,1\}$-binary, and all bias parameters are zero). The validity of the proposed weight-initialization method is demonstrated in numerical experiments using a toy and real-world datasets.
Critically Damped Third-Order Langevin Dynamics
Authors: Benjamin Sterling, Monica Bugallo
Date: 2024-09-12 00:00:00
Tasks: Denoising

While systems analysis has been studied for decades in the context of control theory, it has only been recently used to improve the convergence of Denoising Diffusion Probabilistic Models. This work describes a novel improvement to Third- Order Langevin Dynamics (TOLD), a recent diffusion method that performs better than its predecessors. This improvement, abbreviated TOLD++, is carried out by critically damping the TOLD forward transition matrix similarly to Dockhorn's Critically-Damped Langevin Dynamics (CLD). Specifically, it exploits eigen-analysis of the forward transition matrix to derive the optimal set of dynamics under the original TOLD scheme. TOLD++ is theoretically guaranteed to converge faster than TOLD, and its faster convergence is verified on the Swiss Roll toy dataset and CIFAR-10 dataset according to the FID metric.
Enhancing Q&A Text Retrieval with Ranking Models: Benchmarking, fine-tuning and deploying Rerankers for RAG
Authors: Gabriel de Souza P. Moreira, Ronay Ak, Benedikt Schifferer, Mengyao Xu, Radek Osmulski, Even Oldridge
Date: 2024-09-12 00:00:00
Tasks: Benchmarking, Question Answering, RAG, Retrieval, Retrieval-augmented Generation, Text Retrieval

Ranking models play a crucial role in enhancing overall accuracy of text retrieval systems. These multi-stage systems typically utilize either dense embedding models or sparse lexical indices to retrieve relevant passages based on a given query, followed by ranking models that refine the ordering of the candidate passages by its relevance to the query. This paper benchmarks various publicly available ranking models and examines their impact on ranking accuracy. We focus on text retrieval for question-answering tasks, a common use case for Retrieval-Augmented Generation systems. Our evaluation benchmarks include models some of which are commercially viable for industrial applications. We introduce a state-of-the-art ranking model, NV-RerankQA-Mistral-4B-v3, which achieves a significant accuracy increase of ~14% compared to pipelines with other rerankers. We also provide an ablation study comparing the fine-tuning of ranking models with different sizes, losses and self-attention mechanisms. Finally, we discuss challenges of text retrieval pipelines with ranking models in real-world industry applications, in particular the trade-offs among model size, ranking accuracy and system requirements like indexing and serving latency / throughput.
Ratio Divergence Learning Using Target Energy in Restricted Boltzmann Machines: Beyond Kullback--Leibler Divergence Learning
Authors: Yuichi Ishida, Yuma Ichikawa, Aki Dote, Toshiyuki Miyazawa, Koji Hukushima
Date: 2024-09-12 00:00:00

We propose ratio divergence (RD) learning for discrete energy-based models, a method that utilizes both training data and a tractable target energy function. We apply RD learning to restricted Boltzmann machines (RBMs), which are a minimal model that satisfies the universal approximation theorem for discrete distributions. RD learning combines the strength of both forward and reverse Kullback-Leibler divergence (KLD) learning, effectively addressing the "notorious" issues of underfitting with the forward KLD and mode-collapse with the reverse KLD. Since the summation of forward and reverse KLD seems to be sufficient to combine the strength of both approaches, we include this learning method as a direct baseline in numerical experiments to evaluate its effectiveness. Numerical experiments demonstrate that RD learning significantly outperforms other learning methods in terms of energy function fitting, mode-covering, and learning stability across various discrete energy-based models. Moreover, the performance gaps between RD learning and the other learning methods become more pronounced as the dimensions of target models increase.
Transformed Physics-Informed Neural Networks for The Convection-Diffusion Equation
Authors: Jiajing Guan, Howard Elman
Date: 2024-09-12 00:00:00

Singularly perturbed problems are known to have solutions with steep boundary layers that are hard to resolve numerically. Traditional numerical methods, such as Finite Difference Methods (FDMs), require a refined mesh to obtain stable and accurate solutions. As Physics-Informed Neural Networks (PINNs) have been shown to successfully approximate solutions to differential equations from various fields, it is natural to examine their performance on singularly perturbed problems. The convection-diffusion equation is a representative example of such a class of problems, and we consider the use of PINNs to produce numerical solutions of this equation. We study two ways to use PINNS: as a method for correcting oscillatory discrete solutions obtained using FDMs, and as a method for modifying reduced solutions of unperturbed problems. For both methods, we also examine the use of input transformation to enhance accuracy, and we explain the behavior of input transformations analytically, with the help of neural tangent kernels.
STAND: Data-Efficient and Self-Aware Precondition Induction for Interactive Task Learning
Authors: Daniel Weitekamp, Kenneth Koedinger
Date: 2024-09-11 00:00:00
Tasks: Active Learning, Holdout Set, tabular-classification

STAND is a data-efficient and computationally efficient machine learning approach that produces better classification accuracy than popular approaches like XGBoost on small-data tabular classification problems like learning rule preconditions from interactive training. STAND accounts for a complete set of good candidate generalizations instead of selecting a single generalization by breaking ties randomly. STAND can use any greedy concept construction strategy, like decision tree learning or sequential covering, and build a structure that approximates a version space over disjunctive normal logical statements. Unlike candidate elimination approaches to version-space learning, STAND does not suffer from issues of version-space collapse from noisy data nor is it restricted to learning strictly conjunctive concepts. More importantly, STAND can produce a measure called instance certainty that can predict increases in holdout set performance and has high utility as an active-learning heuristic. Instance certainty enables STAND to be self-aware of its own learning: it knows when it learns and what example will help it learn the most. We illustrate that instance certainty has desirable properties that can help users select next training problems, and estimate when training is complete in applications where users interactively teach an AI a complex program.
Gaussian Process Upper Confidence Bounds in Distributed Point Target Tracking over Wireless Sensor Networks
Authors: Xingchi Liu, Lyudmila Mihaylova, Jemin George, Tien Pham
Date: 2024-09-11 00:00:00
Tasks: Uncertainty Quantification

Uncertainty quantification plays a key role in the development of autonomous systems, decision-making, and tracking over wireless sensor networks (WSNs). However, there is a need of providing uncertainty confidence bounds, especially for distributed machine learning-based tracking, dealing with different volumes of data collected by sensors. This paper aims to fill in this gap and proposes a distributed Gaussian process (DGP) approach for point target tracking and derives upper confidence bounds (UCBs) of the state estimates. A unique contribution of this paper includes the derived theoretical guarantees on the proposed approach and its maximum accuracy for tracking with and without clutter measurements. Particularly, the developed approaches with uncertainty bounds are generic and can provide trustworthy solutions with an increased level of reliability. A novel hybrid Bayesian filtering method is proposed to enhance the DGP approach by adopting a Poisson measurement likelihood model. The proposed approaches are validated over a WSN case study, where sensors have limited sensing ranges. Numerical results demonstrate the tracking accuracy and robustness of the proposed approaches. The derived UCBs constitute a tool for trustworthiness evaluation of DGP approaches. The simulation results reveal that the proposed UCBs successfully encompass the true target states with 88% and 42% higher probability in X and Y coordinates, respectively, when compared to the confidence interval-based method.
Deep Learning of Dynamic Systems using System Identification Toolbox(TM)
Authors: Tianyu Dai, Khaled Aljanaideh, Rong Chen, Rajiv Singh, Alec Stothert, Lennart Ljung
Date: 2024-09-11 00:00:00
Tasks: Deep Learning, State Estimation, State Space Models

MATLAB(R) releases over the last 3 years have witnessed a continuing growth in the dynamic modeling capabilities offered by the System Identification Toolbox(TM). The emphasis has been on integrating deep learning architectures and training techniques that facilitate the use of deep neural networks as building blocks of nonlinear models. The toolbox offers neural state-space models which can be extended with auto-encoding features that are particularly suited for reduced-order modeling of large systems. The toolbox contains several other enhancements that deepen its integration with the state-of-art machine learning techniques, leverage auto-differentiation features for state estimation, and enable a direct use of raw numeric matrices and timetables for training models.
Learning Robust Observable to Address Noise in Quantum Machine Learning
Authors: Bikram Khanal, Pablo Rivas
Date: 2024-09-11 00:00:00
Tasks: Quantum Machine Learning

Quantum Machine Learning (QML) has emerged as a promising field that combines the power of quantum computing with the principles of machine learning. One of the significant challenges in QML is dealing with noise in quantum systems, especially in the Noisy Intermediate-Scale Quantum (NISQ) era. Noise in quantum systems can introduce errors in quantum computations and degrade the performance of quantum algorithms. In this paper, we propose a framework for learning observables that are robust against noisy channels in quantum systems. We demonstrate that it is possible to learn observables that remain invariant under the effects of noise and show that this can be achieved through a machine-learning approach. We present a toy example using a Bell state under a depolarization channel to illustrate the concept of robust observables. We then describe a machine-learning framework for learning such observables across six two-qubit quantum circuits and five noisy channels. Our results show that it is possible to learn observables that are more robust to noise than conventional observables. We discuss the implications of this finding for quantum machine learning, including potential applications in enhancing the stability of QML models in noisy environments. By developing techniques for learning robust observables, we can improve the performance and reliability of quantum machine learning models in the presence of noise, contributing to the advancement of practical QML applications in the NISQ era.
Leveraging User-Generated Reviews for Recommender Systems with Dynamic Headers
Authors: Shanu Vashishtha, Abhay Kumar, Lalitesh Morishetti, Kaushiki Nag, Kannan Achan
Date: 2024-09-11 00:00:00
Tasks: Graph Neural Network, Recommendation Systems

E-commerce platforms have a vast catalog of items to cater to their customers' shopping interests. Most of these platforms assist their customers in the shopping process by offering optimized recommendation carousels, designed to help customers quickly locate their desired items. Many models have been proposed in academic literature to generate and enhance the ranking and recall set of items in these carousels. Conventionally, the accompanying carousel title text (header) of these carousels remains static. In most instances, a generic text such as "Items similar to your current viewing" is utilized. Fixed variations such as the inclusion of specific attributes "Other items from a similar seller" or "Items from a similar brand" in addition to "frequently bought together" or "considered together" are observed as well. This work proposes a novel approach to customize the header generation process of these carousels. Our work leverages user-generated reviews that lay focus on specific attributes (aspects) of an item that were favorably perceived by users during their interaction with the given item. We extract these aspects from reviews and train a graph neural network-based model under the framework of a conditional ranking task. We refer to our innovative methodology as Dynamic Text Snippets (DTS) which generates multiple header texts for an anchor item and its recall set. Our approach demonstrates the potential of utilizing user-generated reviews and presents a unique paradigm for exploring increasingly context-aware recommendation systems.
Generalization Error Bound for Quantum Machine Learning in NISQ Era -- A Survey
Authors: Bikram Khanal, Pablo Rivas, Arun Sanjel, Korn Sooksatra, Ernesto Quevedo, Alejandro Rodriguez
Date: 2024-09-11 00:00:00
Tasks: Articles, Quantum Machine Learning

Despite the mounting anticipation for the quantum revolution, the success of Quantum Machine Learning (QML) in the Noisy Intermediate-Scale Quantum (NISQ) era hinges on a largely unexplored factor: the generalization error bound, a cornerstone of robust and reliable machine learning models. Current QML research, while exploring novel algorithms and applications extensively, is predominantly situated in the context of noise-free, ideal quantum computers. However, Quantum Circuit (QC) operations in NISQ-era devices are susceptible to various noise sources and errors. In this article, we conduct a Systematic Mapping Study (SMS) to explore the state-of-the-art generalization bound for supervised QML in NISQ-era and analyze the latest practices in the field. Our study systematically summarizes the existing computational platforms with quantum hardware, datasets, optimization techniques, and the common properties of the bounds found in the literature. We further present the performance accuracy of various approaches in classical benchmark datasets like the MNIST and IRIS datasets. The SMS also highlights the limitations and challenges in QML in the NISQ era and discusses future research directions to advance the field. Using a detailed Boolean operators query in five reliable indexers, we collected 544 papers and filtered them to a small set of 37 relevant articles. This filtration was done following the best practice of SMS with well-defined research questions and inclusion and exclusion criteria.
When More Data Hurts: Optimizing Data Coverage While Mitigating Diversity Induced Underfitting in an Ultra-Fast Machine-Learned Potential
Authors: Jason B. Gibson, Tesia D. Janicki, Ajinkya C. Hire, Chris Bishop, J. Matthew D. Lane, Richard G. Hennig
Date: 2024-09-11 00:00:00
Tasks: Diversity

Machine-learned interatomic potentials (MLIPs) are becoming an essential tool in materials modeling. However, optimizing the generation of training data used to parameterize the MLIPs remains a significant challenge. This is because MLIPs can fail when encountering local enviroments too different from those present in the training data. The difficulty of determining \textit{a priori} the environments that will be encountered during molecular dynamics (MD) simulation necessitates diverse, high-quality training data. This study investigates how training data diversity affects the performance of MLIPs using the Ultra-Fast Force Field (UF$^3$) to model amorphous silicon nitride. We employ expert and autonomously generated data to create the training data and fit four force-field variants to subsets of the data. Our findings reveal a critical balance in training data diversity: insufficient diversity hinders generalization, while excessive diversity can exceed the MLIP's learning capacity, reducing simulation accuracy. Specifically, we found that the UF$^3$ variant trained on a subset of the training data, in which nitrogen-rich structures were removed, offered vastly better prediction and simulation accuracy than any other variant. By comparing these UF$^3$ variants, we highlight the nuanced requirements for creating accurate MLIPs, emphasizing the importance of application-specific training data to achieve optimal performance in modeling complex material behaviors.
Automated Discovery of Pairwise Interactions from Unstructured Data
Authors: Zuheng, Xu, Moksh Jain, Ali Denton, Shawn Whitfield, Aniket Didolkar, Berton Earnshaw, Jason Hartford
Date: 2024-09-11 00:00:00
Tasks: Active Learning

Pairwise interactions between perturbations to a system can provide evidence for the causal dependencies of the underlying underlying mechanisms of a system. When observations are low dimensional, hand crafted measurements, detecting interactions amounts to simple statistical tests, but it is not obvious how to detect interactions between perturbations affecting latent variables. We derive two interaction tests that are based on pairwise interventions, and show how these tests can be integrated into an active learning pipeline to efficiently discover pairwise interactions between perturbations. We illustrate the value of these tests in the context of biology, where pairwise perturbation experiments are frequently used to reveal interactions that are not observable from any single perturbation. Our tests can be run on unstructured data, such as the pixels in an image, which enables a more general notion of interaction than typical cell viability experiments, and can be run on cheaper experimental assays. We validate on several synthetic and real biological experiments that our tests are able to identify interacting pairs effectively. We evaluate our approach on a real biological experiment where we knocked out 50 pairs of genes and measured the effect with microscopy images. We show that we are able to recover significantly more known biological interactions than random search and standard active learning baselines.