pwc-archive/papers-with-abstracts huggingface dataset:
Reconstructing Spatiotemporal Data with C-VAEs
Authors: Tiago F. R. Ribeiro, Fernando Silva, Rogério Luís de C. Costa
Date: 2023-07-12 00:00:00
Tasks: Position

The continuous representation of spatiotemporal data commonly relies on using abstract data types, such as \textit{moving regions}, to represent entities whose shape and position continuously change over time. Creating this representation from discrete snapshots of real-world entities requires using interpolation methods to compute in-between data representations and estimate the position and shape of the object of interest at arbitrary temporal points. Existing region interpolation methods often fail to generate smooth and realistic representations of a region's evolution. However, recent advancements in deep learning techniques have revealed the potential of deep models trained on discrete observations to capture spatiotemporal dependencies through implicit feature learning. In this work, we explore the capabilities of Conditional Variational Autoencoder (C-VAE) models to generate smooth and realistic representations of the spatiotemporal evolution of moving regions. We evaluate our proposed approach on a sparsely annotated dataset on the burnt area of a forest fire. We apply compression operations to sample from the dataset and use the C-VAE model and other commonly used interpolation algorithms to generate in-between region representations. To evaluate the performance of the methods, we compare their interpolation results with manually annotated data and regions generated by a U-Net model. We also assess the quality of generated data considering temporal consistency metrics. The proposed C-VAE-based approach demonstrates competitive results in geometric similarity metrics. It also exhibits superior temporal consistency, suggesting that C-VAE models may be a viable alternative to modelling the spatiotemporal evolution of 2D moving regions.
Multimodal Molecular Pretraining via Modality Blending
Authors: Qiying Yu, Yudi Zhang, Yuyan Ni, Shikun Feng, Yanyan Lan, Hao Zhou, Jingjing Liu
Date: 2023-07-12 00:00:00
Tasks: Drug Discovery, molecular representation, Relation, Representation Learning, Self-Supervised Learning

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation learning. However, relying on straightforward alignment strategies that treat each modality separately, these methods fail to exploit the intrinsic correlation between 2D and 3D representations that reflect the underlying structural characteristics of molecules, and only perform coarse-grained molecule-level alignment. To derive fine-grained alignment and promote structural molecule understanding, we introduce an atomic-relation level "blend-then-predict" self-supervised learning approach, MoleBLEND, which first blends atom relations represented by different modalities into one unified relation matrix for joint encoding, then recovers modality-specific information for 2D and 3D structures individually. By treating atom relationships as anchors, MoleBLEND organically aligns and integrates visually dissimilar 2D and 3D modalities of the same molecule at fine-grained atomic level, painting a more comprehensive depiction of each molecule. Extensive experiments show that MoleBLEND achieves state-of-the-art performance across major 2D/3D molecular benchmarks. We further provide theoretical insights from the perspective of mutual-information maximization, demonstrating that our method unifies contrastive, generative (cross-modality prediction) and mask-then-predict (single-modality prediction) objectives into one single cohesive framework.
Local Conditional Neural Fields for Versatile and Generalizable Large-Scale Reconstructions in Computational Imaging
Authors: Hao Wang, Jiabei Zhu, Yunzhe Li, QianWan Yang, Lei Tian
Date: 2023-07-12 00:00:00
Tasks: Decoder, Image Reconstruction, Super-Resolution

Deep learning has transformed computational imaging, but traditional pixel-based representations limit their ability to capture continuous, multiscale details of objects. Here we introduce a novel Local Conditional Neural Fields (LCNF) framework, leveraging a continuous implicit neural representation to address this limitation. LCNF enables flexible object representation and facilitates the reconstruction of multiscale information. We demonstrate the capabilities of LCNF in solving the highly ill-posed inverse problem in Fourier ptychographic microscopy (FPM) with multiplexed measurements, achieving robust, scalable, and generalizable large-scale phase retrieval. Unlike traditional neural fields frameworks, LCNF incorporates a local conditional representation that promotes model generalization, learning multiscale information, and efficient processing of large-scale imaging data. By combining an encoder and a decoder conditioned on a learned latent vector, LCNF achieves versatile continuous-domain super-resolution image reconstruction. We demonstrate accurate reconstruction of wide field-of-view, high-resolution phase images using only a few multiplexed measurements. LCNF robustly captures the continuous object priors and eliminates various phase artifacts, even when it is trained on imperfect datasets. The framework exhibits strong generalization, reconstructing diverse objects even with limited training data. Furthermore, LCNF can be trained on a physics simulator using natural images and successfully applied to experimental measurements on biological samples. Our results highlight the potential of LCNF for solving large-scale inverse problems in computational imaging, with broad applicability in various deep-learning-based techniques.
Learning Decentralized Partially Observable Mean Field Control for Artificial Collective Behavior
Authors: Kai Cui, Sascha Hauck, Christian Fabian, Heinz Koeppl
Date: 2023-07-12 00:00:00
Tasks: Policy Gradient Methods, Reinforcement Learning (RL)

Recent reinforcement learning (RL) methods have achieved success in various domains. However, multi-agent RL (MARL) remains a challenge in terms of decentralization, partial observability and scalability to many agents. Meanwhile, collective behavior requires resolution of the aforementioned challenges, and remains of importance to many state-of-the-art applications such as active matter physics, self-organizing systems, opinion dynamics, and biological or robotic swarms. Here, MARL via mean field control (MFC) offers a potential solution to scalability, but fails to consider decentralized and partially observable systems. In this paper, we enable decentralized behavior of agents under partial information by proposing novel models for decentralized partially observable MFC (Dec-POMFC), a broad class of problems with permutation-invariant agents allowing for reduction to tractable single-agent Markov decision processes (MDP) with single-agent RL solution. We provide rigorous theoretical results, including a dynamic programming principle, together with optimality guarantees for Dec-POMFC solutions applied to finite swarms of interest. Algorithmically, we propose Dec-POMFC-based policy gradient methods for MARL via centralized training and decentralized execution, together with policy gradient approximation guarantees. In addition, we improve upon state-of-the-art histogram-based MFC by kernel methods, which is of separate interest also for fully observable MFC. We evaluate numerically on representative collective behavior tasks such as adapted Kuramoto and Vicsek swarming models, being on par with state-of-the-art MARL. Overall, our framework takes a step towards RL-based engineering of artificial collective behavior via MFC.
Auxiliary-Tasks Learning for Physics-Informed Neural Network-Based Partial Differential Equations Solving
Authors: Junjun Yan, Xinhai Chen, Zhichao Wang, Enqiang Zhou, Jie Liu
Date: 2023-07-12 00:00:00

Physics-informed neural networks (PINNs) have emerged as promising surrogate modes for solving partial differential equations (PDEs). Their effectiveness lies in the ability to capture solution-related features through neural networks. However, original PINNs often suffer from bottlenecks, such as low accuracy and non-convergence, limiting their applicability in complex physical contexts. To alleviate these issues, we proposed auxiliary-task learning-based physics-informed neural networks (ATL-PINNs), which provide four different auxiliary-task learning modes and investigate their performance compared with original PINNs. We also employ the gradient cosine similarity algorithm to integrate auxiliary problem loss with the primary problem loss in ATL-PINNs, which aims to enhance the effectiveness of the auxiliary-task learning modes. To the best of our knowledge, this is the first study to introduce auxiliary-task learning modes in the context of physics-informed learning. We conduct experiments on three PDE problems across different fields and scenarios. Our findings demonstrate that the proposed auxiliary-task learning modes can significantly improve solution accuracy, achieving a maximum performance boost of 96.62% (averaging 28.23%) compared to the original single-task PINNs. The code and dataset are open source at https://github.com/junjun-yan/ATL-PINN.
NetGPT: A Native-AI Network Architecture Beyond Provisioning Personalized Generative Services
Authors: Yuxuan Chen, Rongpeng Li, Zhifeng Zhao, Chenghui Peng, Jianjun Wu, Ekram Hossain, Honggang Zhang
Date: 2023-07-12 00:00:00

Large language models (LLMs) have triggered tremendous success to empower our daily life by generative information. The personalization of LLMs could further contribute to their applications due to better alignment with human intents. Towards personalized generative services, a collaborative cloud-edge methodology is promising, as it facilitates the effective orchestration of heterogeneous distributed communication and computing resources. In this article, we put forward NetGPT to capably synergize appropriate LLMs at the edge and the cloud based on their computing capacity. In addition, edge LLMs could efficiently leverage location-based information for personalized prompt completion, thus benefiting the interaction with the cloud LLM. In particular, we present the feasibility of NetGPT by leveraging low-rank adaptation-based fine-tuning of open-source LLMs (i.e., GPT-2-base model and LLaMA model), and conduct comprehensive numerical comparisons with alternative cloud-edge collaboration or cloud-only techniques, so as to demonstrate the superiority of NetGPT. Subsequently, we highlight the essential changes required for an artificial intelligence (AI)-native network architecture towards NetGPT, with emphasis on deeper integration of communications and computing resources and careful calibration of logical AI workflow. Furthermore, we demonstrate several benefits of NetGPT, which come as by-products, as the edge LLMs' capability to predict trends and infer intents promises a unified solution for intelligent network management & orchestration. We argue that NetGPT is a promising AI-native network architecture for provisioning beyond personalized generative services.
SoK: Comparing Different Membership Inference Attacks with a Comprehensive Benchmark
Authors: Jun Niu, Xiaoyan Zhu, Moxuan Zeng, Ge Zhang, Qingyang Zhao, Chunhui Huang, Yangming Zhang, Suyu An, Yangzhong Wang, Xinghui Yue, Zhipeng He, Weihao Guo, Kuo Shen, Peng Liu, Yulong Shen, Xiaohong Jiang, Jianfeng Ma, Yuqing Zhang
Date: 2023-07-12 00:00:00

Membership inference (MI) attacks threaten user privacy through determining if a given data example has been used to train a target model. However, it has been increasingly recognized that the "comparing different MI attacks" methodology used in the existing works has serious limitations. Due to these limitations, we found (through the experiments in this work) that some comparison results reported in the literature are quite misleading. In this paper, we seek to develop a comprehensive benchmark for comparing different MI attacks, called MIBench, which consists not only the evaluation metrics, but also the evaluation scenarios. And we design the evaluation scenarios from four perspectives: the distance distribution of data samples in the target dataset, the distance between data samples of the target dataset, the differential distance between two datasets (i.e., the target dataset and a generated dataset with only nonmembers), and the ratio of the samples that are made no inferences by an MI attack. The evaluation metrics consist of ten typical evaluation metrics. We have identified three principles for the proposed "comparing different MI attacks" methodology, and we have designed and implemented the MIBench benchmark with 84 evaluation scenarios for each dataset. In total, we have used our benchmark to fairly and systematically compare 15 state-of-the-art MI attack algorithms across 588 evaluation scenarios, and these evaluation scenarios cover 7 widely used datasets and 7 representative types of models. All codes and evaluations of MIBench are publicly available at https://github.com/MIBench/MIBench.github.io/blob/main/README.md.
Deep learning for dynamic graphs: models and benchmarks
Authors: Alessio Gravina, Davide Bacciu
Date: 2023-07-12 00:00:00
Tasks: Deep Learning, Model Selection, Representation Learning

Recent progress in research on Deep Graph Networks (DGNs) has led to a maturation of the domain of learning on graphs. Despite the growth of this research field, there are still important challenges that are yet unsolved. Specifically, there is an urge of making DGNs suitable for predictive tasks on realworld systems of interconnected entities, which evolve over time. With the aim of fostering research in the domain of dynamic graphs, at first, we survey recent advantages in learning both temporal and spatial information, providing a comprehensive overview of the current state-of-the-art in the domain of representation learning for dynamic graphs. Secondly, we conduct a fair performance comparison among the most popular proposed approaches on node and edge-level tasks, leveraging rigorous model selection and assessment for all the methods, thus establishing a sound baseline for evaluating new architectures and approaches
Learning Stochastic Dynamical Systems as an Implicit Regularization with Graph Neural Networks
Authors: Jin Guo, Ting Gao, Yufu Lan, Peng Zhang, Sikun Yang, Jinqiao Duan
Date: 2023-07-12 00:00:00
Tasks: Time Series

Stochastic Gumbel graph networks are proposed to learn high-dimensional time series, where the observed dimensions are often spatially correlated. To that end, the observed randomness and spatial-correlations are captured by learning the drift and diffusion terms of the stochastic differential equation with a Gumble matrix embedding, respectively. In particular, this novel framework enables us to investigate the implicit regularization effect of the noise terms in S-GGNs. We provide a theoretical guarantee for the proposed S-GGNs by deriving the difference between the two corresponding loss functions in a small neighborhood of weight. Then, we employ Kuramoto's model to generate data for comparing the spectral density from the Hessian Matrix of the two loss functions. Experimental results on real-world data, demonstrate that S-GGNs exhibit superior convergence, robustness, and generalization, compared with state-of-the-arts.
Online Laplace Model Selection Revisited
Authors: Jihao Andreas Lin, Javier Antorán, José Miguel Hernández-Lobato
Date: 2023-07-12 00:00:00
Tasks: model, Model Selection

The Laplace approximation provides a closed-form model selection objective for neural networks (NN). Online variants, which optimise NN parameters jointly with hyperparameters, like weight decay strength, have seen renewed interest in the Bayesian deep learning community. However, these methods violate Laplace's method's critical assumption that the approximation is performed around a mode of the loss, calling into question their soundness. This work re-derives online Laplace methods, showing them to target a variational bound on a mode-corrected variant of the Laplace evidence which does not make stationarity assumptions. Online Laplace and its mode-corrected counterpart share stationary points where 1. the NN parameters are a maximum a posteriori, satisfying the Laplace method's assumption, and 2. the hyperparameters maximise the Laplace evidence, motivating online methods. We demonstrate that these optima are roughly attained in practise by online algorithms using full-batch gradient descent on UCI regression datasets. The optimised hyperparameters prevent overfitting and outperform validation-based early stopping.
Interpreting deep embeddings for disease progression clustering
Authors: Anna Munoz-Farre, Antonios Poulakakis-Daktylidis, Dilini Mahesha Kothalawala, Andrea Rodriguez-Martinez
Date: 2023-07-12 00:00:00
Tasks: Clustering

We propose a novel approach for interpreting deep embeddings in the context of patient clustering. We evaluate our approach on a dataset of participants with type 2 diabetes from the UK Biobank, and demonstrate clinically meaningful insights into disease progression patterns.
Function-Space Regularization for Deep Bayesian Classification
Authors: Jihao Andreas Lin, Joe Watson, Pascal Klink, Jan Peters
Date: 2023-07-12 00:00:00
Tasks: Adversarial Robustness, Classification, image-classification, Image Classification, Uncertainty Quantification, Variational Inference

Bayesian deep learning approaches assume model parameters to be latent random variables and infer posterior distributions to quantify uncertainty, increase safety and trust, and prevent overconfident and unpredictable behavior. However, weight-space priors are model-specific, can be difficult to interpret and are hard to specify. Instead, we apply a Dirichlet prior in predictive space and perform approximate function-space variational inference. To this end, we interpret conventional categorical predictions from stochastic neural network classifiers as samples from an implicit Dirichlet distribution. By adapting the inference, the same function-space prior can be combined with different models without affecting model architecture or size. We illustrate the flexibility and efficacy of such a prior with toy experiments and demonstrate scalability, improved uncertainty quantification and adversarial robustness with large-scale image classification experiments.
Online Inventory Problems: Beyond the i.i.d. Setting with Online Convex Optimization
Date: 2023-07-12 00:00:00
Proceeding: NeurIPS 2023 11

We study multi-product inventory control problems where a manager makes sequential replenishment decisions based on partial historical information in order to minimize its cumulative losses. Our motivation is to consider general demands, losses and dynamics to go beyond standard models which usually rely on newsvendor-type losses, fixed dynamics, and unrealistic i.i.d. demand assumptions. We propose MaxCOSD, an online algorithm that has provable guarantees even for problems with non-i.i.d. demands and stateful dynamics, including for instance perishability. We consider what we call non-degeneracy assumptions on the demand process, and argue that they are necessary to allow learning.
Rhythm Modeling for Voice Conversion
Authors: Benjamin van Niekerk, Marc-André Carbonneau, Herman Kamper
Date: 2023-07-12 00:00:00
Tasks: Rhythm, Voice Conversion

Voice conversion aims to transform source speech into a different target voice. However, typical voice conversion systems do not account for rhythm, which is an important factor in the perception of speaker identity. To bridge this gap, we introduce Urhythmic-an unsupervised method for rhythm conversion that does not require parallel data or text transcriptions. Using self-supervised representations, we first divide source audio into segments approximating sonorants, obstruents, and silences. Then we model rhythm by estimating speaking rate or the duration distribution of each segment type. Finally, we match the target speaking rate or rhythm by time-stretching the speech segments. Experiments show that Urhythmic outperforms existing unsupervised methods in terms of quality and prosody. Code and checkpoints: https://github.com/bshall/urhythmic. Audio demo page: https://ubisoft-laforge.github.io/speech/urhythmic.
DDNAS: Discretized Differentiable Neural Architecture Search for Text Classification
Authors: Kuan-Chun Chen, Cheng-Te Li, Kuo-Jung Lee
Date: 2023-07-12 00:00:00
Tasks: Classification, Neural Architecture Search, Representation Learning, text-classification, Text Classification

Neural Architecture Search (NAS) has shown promising capability in learning text representation. However, existing text-based NAS neither performs a learnable fusion of neural operations to optimize the architecture, nor encodes the latent hierarchical categorization behind text input. This paper presents a novel NAS method, Discretized Differentiable Neural Architecture Search (DDNAS), for text representation learning and classification. With the continuous relaxation of architecture representation, DDNAS can use gradient descent to optimize the search. We also propose a novel discretization layer via mutual information maximization, which is imposed on every search node to model the latent hierarchical categorization in text representation. Extensive experiments conducted on eight diverse real datasets exhibit that DDNAS can consistently outperform the state-of-the-art NAS methods. While DDNAS relies on only three basic operations, i.e., convolution, pooling, and none, to be the candidates of NAS building blocks, its promising performance is noticeable and extensible to obtain further improvement by adding more different operations.
A Comprehensive Review of Automated Data Annotation Techniques in Human Activity Recognition
Authors: Florenc Demrozi, Cristian Turetta, Fadi Al Machot, Graziano Pravadelli, Philipp H. Kindt
Date: 2023-07-12 00:00:00
Tasks: Activity Recognition, Human Activity Recognition

Human Activity Recognition (HAR) has become one of the leading research topics of the last decade. As sensing technologies have matured and their economic costs have declined, a host of novel applications, e.g., in healthcare, industry, sports, and daily life activities have become popular. The design of HAR systems requires different time-consuming processing steps, such as data collection, annotation, and model training and optimization. In particular, data annotation represents the most labor-intensive and cumbersome step in HAR, since it requires extensive and detailed manual work from human annotators. Therefore, different methodologies concerning the automation of the annotation procedure in HAR have been proposed. The annotation problem occurs in different notions and scenarios, which all require individual solutions. In this paper, we provide the first systematic review on data annotation techniques for HAR. By grouping existing approaches into classes and providing a taxonomy, our goal is to support the decision on which techniques can be beneficially used in a given scenario.
Outlier detection in regression: conic quadratic formulations
Authors: Andrés Gómez, José Neto
Date: 2023-07-12 00:00:00
Tasks: Outlier Detection, regression

In many applications, when building linear regression models, it is important to account for the presence of outliers, i.e., corrupted input data points. Such problems can be formulated as mixed-integer optimization problems involving cubic terms, each given by the product of a binary variable and a quadratic term of the continuous variables. Existing approaches in the literature, typically relying on the linearization of the cubic terms using big-M constraints, suffer from weak relaxation and poor performance in practice. In this work we derive stronger second-order conic relaxations that do not involve big-M constraints. Our computational experiments indicate that the proposed formulations are several orders-of-magnitude faster than existing big-M formulations in the literature for this problem.