pwc-archive/papers-with-abstracts huggingface dataset:
An Anytime Algorithm for Good Arm Identification
Authors: Marc Jourdan, Clémence Réda
Date: 2023-10-16 00:00:00

In good arm identification (GAI), the goal is to identify one arm whose average performance exceeds a given threshold, referred to as good arm, if it exists. Few works have studied GAI in the fixed-budget setting, when the sampling budget is fixed beforehand, or the anytime setting, when a recommendation can be asked at any time. We propose APGAI, an anytime and parameter-free sampling rule for GAI in stochastic bandits. APGAI can be straightforwardly used in fixed-confidence and fixed-budget settings. First, we derive upper bounds on its probability of error at any time. They show that adaptive strategies are more efficient in detecting the absence of good arms than uniform sampling. Second, when APGAI is combined with a stopping rule, we prove upper bounds on the expected sampling complexity, holding at any confidence level. Finally, we show good empirical performance of APGAI on synthetic and real-world data. Our work offers an extensive overview of the GAI problem in all settings.
Hamming Encoder: Mining Discriminative k-mers for Discrete Sequence Classification
Authors: Junjie Dong, Mudi Jiang, Lianyu Hu, Zengyou He
Date: 2023-10-16 00:00:00
Tasks: Classification

Sequence classification has numerous applications in various fields. Despite extensive studies in the last decades, many challenges still exist, particularly in pattern-based methods. Existing pattern-based methods measure the discriminative power of each feature individually during the mining process, leading to the result of missing some combinations of features with discriminative power. Furthermore, it is difficult to ensure the overall discriminative performance after converting sequences into feature vectors. To address these challenges, we propose a novel approach called Hamming Encoder, which utilizes a binarized 1D-convolutional neural network (1DCNN) architecture to mine discriminative k-mer sets. In particular, we adopt a Hamming distance-based similarity measure to ensure consistency in the feature mining and classification procedure. Our method involves training an interpretable CNN encoder for sequential data and performing a gradient-based search for discriminative k-mer combinations. Experiments show that the Hamming Encoder method proposed in this paper outperforms existing state-of-the-art methods in terms of classification accuracy.
A Survey on Quantum Machine Learning: Current Trends, Challenges, Opportunities, and the Road Ahead
Authors: Kamila Zaman, Alberto Marchisio, Muhammad Abdullah Hanif, Muhammad Shafique
Date: 2023-10-16 00:00:00
Tasks: Quantum Machine Learning, Survey

Quantum Computing (QC) claims to improve the efficiency of solving complex problems, compared to classical computing. When QC is integrated with Machine Learning (ML), it creates a Quantum Machine Learning (QML) system. This paper aims to provide a thorough understanding of the foundational concepts of QC and its notable advantages over classical computing. Following this, we delve into the key aspects of QML in a detailed and comprehensive manner. In this survey, we investigate a variety of QML algorithms, discussing their applicability across different domains. We examine quantum datasets, highlighting their unique characteristics and advantages. The survey also covers the current state of hardware technologies, providing insights into the latest advancements and their implications for QML. Additionally, we review the software tools and simulators available for QML development, discussing their features and usability. Furthermore, we explore practical applications of QML, illustrating how it can be leveraged to solve real-world problems more efficiently than classical ML methods. This survey aims to consolidate the current landscape of QML and outline key opportunities and challenges for future research.
Time integration schemes based on neural networks for solving partial differential equations on coarse grids
Authors: Xinxin Yan, Zhideng Zhou, Xiaohan Cheng, Xiaolei Yang
Date: 2023-10-16 00:00:00

The accuracy of solving partial differential equations (PDEs) on coarse grids is greatly affected by the choice of discretization schemes. In this work, we propose to learn time integration schemes based on neural networks which satisfy three distinct sets of mathematical constraints, i.e., unconstrained, semi-constrained with the root condition, and fully-constrained with both root and consistency conditions. We focus on the learning of 3-step linear multistep methods, which we subsequently applied to solve three model PDEs, i.e., the one-dimensional heat equation, the one-dimensional wave equation, and the one-dimensional Burgers' equation. The results show that the prediction error of the learned fully-constrained scheme is close to that of the Runge-Kutta method and Adams-Bashforth method. Compared to the traditional methods, the learned unconstrained and semi-constrained schemes significantly reduce the prediction error on coarse grids. On a grid that is 4 times coarser than the reference grid, the mean square error shows a reduction of up to an order of magnitude for some of the heat equation cases, and a substantial improvement in phase prediction for the wave equation. On a 32 times coarser grid, the mean square error for the Burgers' equation can be reduced by up to 35% to 40%.
Mimicking the Maestro: Exploring the Efficacy of a Virtual AI Teacher in Fine Motor Skill Acquisition
Authors: Hadar Mulian, Segev Shlomov, Lior Limonad, Alessia Noccaro, Silvia Buscaglione
Date: 2023-10-16 00:00:00
Tasks: Imitation Learning, reinforcement-learning, Reinforcement Learning

Motor skills, especially fine motor skills like handwriting, play an essential role in academic pursuits and everyday life. Traditional methods to teach these skills, although effective, can be time-consuming and inconsistent. With the rise of advanced technologies like robotics and artificial intelligence, there is increasing interest in automating such teaching processes using these technologies, via human-robot and human-computer interactions. In this study, we examine the potential of a virtual AI teacher in emulating the techniques of human educators for motor skill acquisition. We introduce an AI teacher model that captures the distinct characteristics of human instructors. Using a Reinforcement Learning environment tailored to mimic teacher-learner interactions, we tested our AI model against four guiding hypotheses, emphasizing improved learner performance, enhanced rate of skill acquisition, and reduced variability in learning outcomes. Our findings, validated on synthetic learners, revealed significant improvements across all tested hypotheses. Notably, our model showcased robustness across different learners and settings and demonstrated adaptability to handwriting. This research underscores the potential of integrating Reinforcement Learning and Imitation Learning models with robotics in revolutionizing the teaching of critical motor skills.
Leveraging heterogeneous spillover in maximizing contextual bandit rewards
Authors: Ahmed Sayeed Faruk, Elena Zheleva
Date: 2023-10-16 00:00:00
Tasks: Multi-Armed Bandits, Recommendation Systems

Recommender systems relying on contextual multi-armed bandits continuously improve relevant item recommendations by taking into account the contextual information. The objective of bandit algorithms is to learn the best arm (e.g., best item to recommend) for each user and thus maximize the cumulative rewards from user engagement with the recommendations. The context that these algorithms typically consider are the user and item attributes. However, in the context of social networks where $\textit{the action of one user can influence the actions and rewards of other users,}$ neighbors' actions are also a very important context, as they can have not only predictive power but also can impact future rewards through spillover. Moreover, influence susceptibility can vary for different people based on their preferences and the closeness of ties to other users which leads to heterogeneity in the spillover effects. Here, we present a framework that allows contextual multi-armed bandits to account for such heterogeneous spillovers when choosing the best arm for each user. Our experiments on several semi-synthetic and real-world datasets show that our framework leads to significantly higher rewards than existing state-of-the-art solutions that ignore the network information and potential spillover.
Leveraging Topological Maps in Deep Reinforcement Learning for Multi-Object Navigation
Authors: Simon Hakenes, Tobias Glasmachers
Date: 2023-10-16 00:00:00
Tasks: Deep Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

This work addresses the challenge of navigating expansive spaces with sparse rewards through Reinforcement Learning (RL). Using topological maps, we elevate elementary actions to object-oriented macro actions, enabling a simple Deep Q-Network (DQN) agent to solve otherwise practically impossible environments.
On the Properties and Estimation of Pointwise Mutual Information Profiles
Authors: Paweł Czyż, Frederic Grabowski, Julia E. Vogt, Niko Beerenwinkel, Alexander Marx
Date: 2023-10-16 00:00:00
Tasks: Mutual Information Estimation, Uncertainty Quantification

The pointwise mutual information profile, or simply profile, is the distribution of pointwise mutual information for a given pair of random variables. One of its important properties is that its expected value is precisely the mutual information between these random variables. In this paper, we analytically describe the profiles of multivariate normal distributions and introduce a novel family of distributions, Bend and Mix Models, for which the profile can be accurately estimated using Monte Carlo methods. We then show how Bend and Mix Models can be used to study the limitations of existing mutual information estimators, investigate the behavior of neural critics used in variational estimators, and understand the effect of experimental outliers on mutual information estimation. Finally, we show how Bend and Mix Models can be used to obtain model-based Bayesian estimates of mutual information, suitable for problems with available domain expertise in which uncertainty quantification is necessary.
Structural transfer learning of non-Gaussian DAG
Authors: Mingyang Ren, Xin He, Junhui Wang
Date: 2023-10-16 00:00:00
Tasks: Functional Connectivity, Transfer Learning

Directed acyclic graph (DAG) has been widely employed to represent directional relationships among a set of collected nodes. Yet, the available data in one single study is often limited for accurate DAG reconstruction, whereas heterogeneous data may be collected from multiple relevant studies. It remains an open question how to pool the heterogeneous data together for better DAG structure reconstruction in the target study. In this paper, we first introduce a novel set of structural similarity measures for DAG and then present a transfer DAG learning framework by effectively leveraging information from auxiliary DAGs of different levels of similarities. Our theoretical analysis shows substantial improvement in terms of DAG reconstruction in the target study, even when no auxiliary DAG is overall similar to the target DAG, which is in sharp contrast to most existing transfer learning methods. The advantage of the proposed transfer DAG learning is also supported by extensive numerical experiments on both synthetic data and multi-site brain functional connectivity network data.
GEVO-ML: Optimizing Machine Learning Code with Evolutionary Computation
Authors: Jhe-Yu Liou, Stephanie Forrest, Carole-Jean Wu
Date: 2023-10-16 00:00:00

Parallel accelerators, such as GPUs, are key enablers for large-scale Machine Learning (ML) applications. However, ML model developers often lack detailed knowledge of the underlying system architectures, while system programmers usually do not have a high-level understanding of the ML model that runs on the specific system. To mitigate this gap between two relevant aspects of domain knowledge, this paper proposes GEVO-ML, a tool for automatically discovering optimization opportunities and tuning the performance of ML kernels, where the model and training/prediction processes are uniformly represented in a single intermediate language, the Multiple-Layer Intermediate Representation (MLIR). GEVO-ML uses multi-objective evolutionary search to find edits (mutations) to MLIR code that ultimately runs on GPUs, improving performance on desired criteria while retaining required functionality. We demonstrate GEVO-ML on two different ML workloads for both model training and prediction. GEVO-ML finds significant Pareto improvements for these models, achieving 90.43% performance improvement when model accuracy is relaxed by 2%, from 91.2% to 89.3%. For the training workloads, GEVO-ML finds a 4.88% improvement in model accuracy, from 91% to 96%, without sacrificing training or testing speed. Our analysis of key GEVO-ML mutations reveals diverse code modifications, while might be foreign to human developers, achieving similar effects with how human developers improve model design, for example, by changing learning rates or pruning non-essential layer parameters.
Bongard-OpenWorld: Few-Shot Reasoning for Free-form Visual Concepts in the Real World
Authors: Rujie Wu, Xiaojian Ma, Zhenliang Zhang, Wei Wang, Qing Li, Song-Chun Zhu, Yizhou Wang
Date: 2023-10-16 00:00:00
Tasks: Few-Shot Learning, Form, Logical Reasoning, Visual Reasoning

We introduce Bongard-OpenWorld, a new benchmark for evaluating real-world few-shot reasoning for machine vision. It originates from the classical Bongard Problems (BPs): Given two sets of images (positive and negative), the model needs to identify the set that query images belong to by inducing the visual concepts, which is exclusively depicted by images from the positive set. Our benchmark inherits the few-shot concept induction of the original BPs while adding the two novel layers of challenge: 1) open-world free-form concepts, as the visual concepts in Bongard-OpenWorld are unique compositions of terms from an open vocabulary, ranging from object categories to abstract visual attributes and commonsense factual knowledge; 2) real-world images, as opposed to the synthetic diagrams used by many counterparts. In our exploration, Bongard-OpenWorld already imposes a significant challenge to current few-shot reasoning algorithms. We further investigate to which extent the recently introduced Large Language Models (LLMs) and Vision-Language Models (VLMs) can solve our task, by directly probing VLMs, and combining VLMs and LLMs in an interactive reasoning scheme. We even conceived a neuro-symbolic reasoning approach that reconciles LLMs & VLMs with logical reasoning to emulate the human problem-solving process for Bongard Problems. However, none of these approaches manage to close the human-machine gap, as the best learner achieves 64% accuracy while human participants easily reach 91%. We hope Bongard-OpenWorld can help us better understand the limitations of current visual intelligence and facilitate future research on visual agents with stronger few-shot visual reasoning capabilities.
Interpretable Predictive Models to Understand Risk Factors for Maternal and Fetal Outcomes
Authors: Tomas M. Bosschieter, Zifei Xu, Hui Lan, Benjamin J. Lengerich, Harsha Nori, Ian Painter, Vivienne Souter, Rich Caruana
Date: 2023-10-16 00:00:00

Although most pregnancies result in a good outcome, complications are not uncommon and can be associated with serious implications for mothers and babies. Predictive modeling has the potential to improve outcomes through better understanding of risk factors, heightened surveillance for high risk patients, and more timely and appropriate interventions, thereby helping obstetricians deliver better care. We identify and study the most important risk factors for four types of pregnancy complications: (i) severe maternal morbidity, (ii) shoulder dystocia, (iii) preterm preeclampsia, and (iv) antepartum stillbirth. We use an Explainable Boosting Machine (EBM), a high-accuracy glass-box learning method, for prediction and identification of important risk factors. We undertake external validation and perform an extensive robustness analysis of the EBM models. EBMs match the accuracy of other black-box ML methods such as deep neural networks and random forests, and outperform logistic regression, while being more interpretable. EBMs prove to be robust. The interpretability of the EBM models reveals surprising insights into the features contributing to risk (e.g. maternal height is the second most important feature for shoulder dystocia) and may have potential for clinical application in the prediction and prevention of serious complications in pregnancy.
AdaLomo: Low-memory Optimization with Adaptive Learning Rate
Authors: Kai Lv, Hang Yan, Qipeng Guo, Haijun Lv, Xipeng Qiu
Date: 2023-10-16 00:00:00

Large language models have achieved remarkable success, but their extensive parameter size necessitates substantial memory for training, thereby setting a high threshold. While the recently proposed low-memory optimization (LOMO) reduces memory footprint, its optimization technique, akin to stochastic gradient descent, is sensitive to hyper-parameters and exhibits suboptimal convergence, failing to match the performance of the prevailing optimizer for large language models, AdamW. Through empirical analysis of the Adam optimizer, we found that, compared to momentum, the adaptive learning rate is more critical for bridging the gap. Building on this insight, we introduce the low-memory optimization with adaptive learning rate (AdaLomo), which offers an adaptive learning rate for each parameter. To maintain memory efficiency, we employ non-negative matrix factorization for the second-order moment estimation in the optimizer state. Additionally, we suggest the use of a grouped update normalization to stabilize convergence. Our experiments with instruction-tuning and further pre-training demonstrate that AdaLomo achieves results on par with AdamW, while significantly reducing memory requirements, thereby lowering the hardware barrier to training large language models. The code is accessible at https://github.com/OpenLMLab/LOMO.
An Interpretable Deep-Learning Framework for Predicting Hospital Readmissions From Electronic Health Records
Authors: Fabio Azzalini, Tommaso Dolci, Marco Vagaggini
Date: 2023-10-16 00:00:00
Tasks: Readmission Prediction, Word Embeddings

With the increasing availability of patients' data, modern medicine is shifting towards prospective healthcare. Electronic health records contain a variety of information useful for clinical patient description and can be exploited for the construction of predictive models, given that similar medical histories will likely lead to similar progressions. One example is unplanned hospital readmission prediction, an essential task for reducing hospital costs and improving patient health. Despite predictive models showing very good performances especially with deep-learning models, they are often criticized for the poor interpretability of their results, a fundamental characteristic in the medical field, where incorrect predictions might have serious consequences for the patient health. In this paper we propose a novel, interpretable deep-learning framework for predicting unplanned hospital readmissions, supported by NLP findings on word embeddings and by neural-network models (ConvLSTM) for better handling temporal data. We validate our system on the two predictive tasks of hospital readmission within 30 and 180 days, using real-world data. In addition, we introduce and test a model-dependent technique to make the representation of results easily interpretable by the medical staff. Our solution achieves better performances compared to traditional models based on machine learning, while providing at the same time more interpretable results.
Hypergraph Echo State Network
Authors: Justin Lien
Date: 2023-10-16 00:00:00
Tasks: Binary Classification

A hypergraph as a generalization of graphs records higher-order interactions among nodes, yields a more flexible network model, and allows non-linear features for a group of nodes. In this article, we propose a hypergraph echo state network (HypergraphESN) as a generalization of graph echo state network (GraphESN) designed for efficient processing of hypergraph-structured data, derive convergence conditions for the algorithm, and discuss its versatility in comparison to GraphESN. The numerical experiments on the binary classification tasks demonstrate that HypergraphESN exhibits comparable or superior accuracy performance to GraphESN for hypergraph-structured data, and accuracy increases if more higher-order interactions in a network are identified.
On permutation symmetries in Bayesian neural network posteriors: a variational perspective
Date: 2023-10-16 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Combinatorial Optimization

The elusive nature of gradient-based optimization in neural networks is tied to their loss landscape geometry, which is poorly understood. However recent work has brought solid evidence that there is essentially no loss barrier between the local solutions of gradient descent, once accounting for weight-permutations that leave the network's computation unchanged. This raises questions for approximate inference in Bayesian neural networks (BNNs), where we are interested in marginalizing over multiple points in the loss landscape. In this work, we first extend the formalism of marginalized loss barrier and solution interpolation to BNNs, before proposing a matching algorithm to search for linearly connected solutions. This is achieved by aligning the distributions of two independent approximate Bayesian solutions with respect to permutation matrices. We build on the results of Ainsworth et al. (2023), reframing the problem as a combinatorial optimization one, using an approximation to the sum of bilinear assignment problem. We then experiment on a variety of architectures and datasets, finding nearly zero marginalized loss barriers for linearly connected solutions.
DNA: Denoised Neighborhood Aggregation for Fine-grained Category Discovery
Authors: Wenbin An, Feng Tian, Wenkai Shi, Yan Chen, Qinghua Zheng, Qianying Wang, Ping Chen
Date: 2023-10-16 00:00:00
Tasks: Representation Learning

Discovering fine-grained categories from coarsely labeled data is a practical and challenging task, which can bridge the gap between the demand for fine-grained analysis and the high annotation cost. Previous works mainly focus on instance-level discrimination to learn low-level features, but ignore semantic similarities between data, which may prevent these models learning compact cluster representations. In this paper, we propose Denoised Neighborhood Aggregation (DNA), a self-supervised framework that encodes semantic structures of data into the embedding space. Specifically, we retrieve k-nearest neighbors of a query as its positive keys to capture semantic similarities between data and then aggregate information from the neighbors to learn compact cluster representations, which can make fine-grained categories more separatable. However, the retrieved neighbors can be noisy and contain many false-positive keys, which can degrade the quality of learned embeddings. To cope with this challenge, we propose three principles to filter out these false neighbors for better representation learning. Furthermore, we theoretically justify that the learning objective of our framework is equivalent to a clustering loss, which can capture semantic similarities between data to form compact fine-grained clusters. Extensive experiments on three benchmark datasets show that our method can retrieve more accurate neighbors (21.31% accuracy improvement) and outperform state-of-the-art models by a large margin (average 9.96% improvement on three metrics). Our code and data are available at https://github.com/Lackel/DNA.