pwc-archive/papers-with-abstracts huggingface dataset:
MaskINT: Video Editing via Interpolative Non-autoregressive Masked Transformers
Authors: Haoyu Ma, Shahin Mahdizadehaghdam, Bichen Wu, Zhipeng Fan, YuChao Gu, Wenliang Zhao, Lior Shapira, Xiaohui Xie
Date: 2023-12-19 00:00:00
Proceeding: CVPR 2024 1
Tasks: Video Editing

Recent advances in generative AI have significantly enhanced image and video editing, particularly in the context of text prompt control. State-of-the-art approaches predominantly rely on diffusion models to accomplish these tasks. However, the computational demands of diffusion-based methods are substantial, often necessitating large-scale paired datasets for training, and therefore challenging the deployment in real applications. To address these issues, this paper breaks down the text-based video editing task into two stages. First, we leverage an pre-trained text-to-image diffusion model to simultaneously edit few keyframes in an zero-shot way. Second, we introduce an efficient model called MaskINT, which is built on non-autoregressive masked generative transformers and specializes in frame interpolation between the edited keyframes, using the structural guidance from intermediate frames. Experimental results suggest that our MaskINT achieves comparable performance with diffusion-based methodologies, while significantly improve the inference time. This research offers a practical solution for text-based video editing and showcases the potential of non-autoregressive masked generative transformers in this domain.
Open Vocabulary Semantic Scene Sketch Understanding
Authors: Ahmed Bourouis, Judith Ellen Fan, Yulia Gryaditskaya
Date: 2023-12-18 00:00:00
Proceeding: CVPR 2024 1
Tasks: Disentanglement, Visual Prompt Tuning

We study the underexplored but fundamental vision problem of machine understanding of abstract freehand scene sketches. We introduce a sketch encoder that results in semantically-aware feature space, which we evaluate by testing its performance on a semantic sketch segmentation task. To train our model we rely only on the availability of bitmap sketches with their brief captions and do not require any pixel-level annotations. To obtain generalization to a large set of sketches and categories, we build on a vision transformer encoder pretrained with the CLIP model. We freeze the text encoder and perform visual-prompt tuning of the visual encoder branch while introducing a set of critical modifications. Firstly, we augment the classical key-query (k-q) self-attention blocks with value-value (v-v) self-attention blocks. Central to our model is a two-level hierarchical network design that enables efficient semantic disentanglement: The first level ensures holistic scene sketch encoding, and the second level focuses on individual categories. We, then, in the second level of the hierarchy, introduce a cross-attention between textual and visual branches. Our method outperforms zero-shot CLIP pixel accuracy of segmentation results by 37 points, reaching an accuracy of $85.5\%$ on the FS-COCO sketch dataset. Finally, we conduct a user study that allows us to identify further improvements needed over our method to reconcile machine and human understanding of scene sketches.
A note on regularised NTK dynamics with an application to PAC-Bayesian training
Authors: Eugenio Clerico, Benjamin Guedj
Date: 2023-12-20 00:00:00

We establish explicit dynamics for neural networks whose training objective has a regularising term that constrains the parameters to remain close to their initial value. This keeps the network in a lazy training regime, where the dynamics can be linearised around the initialisation. The standard neural tangent kernel (NTK) governs the evolution during the training in the infinite-width limit, although the regularisation yields an additional term appears in the differential equation describing the dynamics. This setting provides an appropriate framework to study the evolution of wide networks trained to optimise generalisation objectives such as PAC-Bayes bounds, and hence potentially contribute to a deeper theoretical understanding of such networks.
Enhancing Neural Training via a Correlated Dynamics Model
Authors: Jonathan Brokman, Roy Betser, Rotem Turjeman, Tom Berkov, Ido Cohen, Guy Gilboa
Date: 2023-12-20 00:00:00
Tasks: Federated Learning, image-classification, Image Classification, model

As neural networks grow in scale, their training becomes both computationally demanding and rich in dynamics. Amidst the flourishing interest in these training dynamics, we present a novel observation: Parameters during training exhibit intrinsic correlations over time. Capitalizing on this, we introduce Correlation Mode Decomposition (CMD). This algorithm clusters the parameter space into groups, termed modes, that display synchronized behavior across epochs. This enables CMD to efficiently represent the training dynamics of complex networks, like ResNets and Transformers, using only a few modes. Moreover, test set generalization is enhanced. We introduce an efficient CMD variant, designed to run concurrently with training. Our experiments indicate that CMD surpasses the state-of-the-art method for compactly modeled dynamics on image classification. Our modeling can improve training efficiency and lower communication overhead, as shown by our preliminary experiments in the context of federated learning.
Position Paper: Bridging the Gap Between Machine Learning and Sensitivity Analysis
Authors: Christian A. Scholbeck, Julia Moosbauer, Giuseppe Casalicchio, Hoshin Gupta, Bernd Bischl, Christian Heumann
Date: 2023-12-20 00:00:00
Tasks: Position, Sensitivity

We argue that interpretations of machine learning (ML) models or the model-building process can be seen as a form of sensitivity analysis (SA), a general methodology used to explain complex systems in many fields such as environmental modeling, engineering, or economics. We address both researchers and practitioners, calling attention to the benefits of a unified SA-based view of explanations in ML and the necessity to fully credit related work. We bridge the gap between both fields by formally describing how (a) the ML process is a system suitable for SA, (b) how existing ML interpretation methods relate to this perspective, and (c) how other SA techniques could be applied to ML.
Measurement-based quantum computation from Clifford quantum cellular automata
Authors: Hendrik Poulsen Nautrup, Hans J. Briegel
Date: 2023-12-20 00:00:00

Measurement-based quantum computation (MBQC) is a paradigm for quantum computation where computation is driven by local measurements on a suitably entangled resource state. In this work we show that MBQC is related to a model of quantum computation based on Clifford quantum cellular automata (CQCA). Specifically, we show that certain MBQCs can be directly constructed from CQCAs which yields a simple and intuitive circuit model representation of MBQC in terms of quantum computation based on CQCA. We apply this description to construct various MBQC-based Ans\"atze for parameterized quantum circuits, demonstrating that the different Ans\"atze may lead to significantly different performances on different learning tasks. In this way, MBQC yields a family of Hardware-efficient Ans\"atze that may be adapted to specific problem settings and is particularly well suited for architectures with translationally invariant gates such as neutral atoms.
Learning Fair Policies for Multi-stage Selection Problems from Observational Data
Authors: Zhuangzhuang Jia, Grani A. Hanasusanto, Phebe Vayanos, Weijun Xie
Date: 2023-12-20 00:00:00
Tasks: Causal Inference, Fairness

We consider the problem of learning fair policies for multi-stage selection problems from observational data. This problem arises in several high-stakes domains such as company hiring, loan approval, or bail decisions where outcomes (e.g., career success, loan repayment, recidivism) are only observed for those selected. We propose a multi-stage framework that can be augmented with various fairness constraints, such as demographic parity or equal opportunity. This problem is a highly intractable infinite chance-constrained program involving the unknown joint distribution of covariates and outcomes. Motivated by the potential impact of selection decisions on people's lives and livelihoods, we propose to focus on interpretable linear selection rules. Leveraging tools from causal inference and sample average approximation, we obtain an asymptotically consistent solution to this selection problem by solving a mixed binary conic optimization problem, which can be solved using standard off-the-shelf solvers. We conduct extensive computational experiments on a variety of datasets adapted from the UCI repository on which we show that our proposed approaches can achieve an 11.6% improvement in precision and a 38% reduction in the measure of unfairness compared to the existing selection policy.
Gappy local conformal auto-encoders for heterogeneous data fusion: in praise of rigidity
Authors: Erez Peterfreund, Iryna Burak, Ofir Lindenbaum, Jim Gimlett, Felix Dietrich, Ronald R. Coifman, Ioannis G. Kevrekidis
Date: 2023-12-20 00:00:00
Tasks: Local Distortion

Fusing measurements from multiple, heterogeneous, partial sources, observing a common object or process, poses challenges due to the increasing availability of numbers and types of sensors. In this work we propose, implement and validate an end-to-end computational pipeline in the form of a multiple-auto-encoder neural network architecture for this task. The inputs to the pipeline are several sets of partial observations, and the result is a globally consistent latent space, harmonizing (rigidifying, fusing) all measurements. The key enabler is the availability of multiple slightly perturbed measurements of each instance:, local measurement, "bursts", that allows us to estimate the local distortion induced by each instrument. We demonstrate the approach in a sequence of examples, starting with simple two-dimensional data sets and proceeding to a Wi-Fi localization problem and to the solution of a "dynamical puzzle" arising in spatio-temporal observations of the solutions of Partial Differential Equations.
Neural Stochastic Differential Equations with Change Points: A Generative Adversarial Approach
Authors: Zhongchang Sun, Yousef El-Laham, Svitlana Vyetrenko
Date: 2023-12-20 00:00:00
Tasks: Change Point Detection, Time Series

Stochastic differential equations (SDEs) have been widely used to model real world random phenomena. Existing works mainly focus on the case where the time series is modeled by a single SDE, which might be restrictive for modeling time series with distributional shift. In this work, we propose a change point detection algorithm for time series modeled as neural SDEs. Given a time series dataset, the proposed method jointly learns the unknown change points and the parameters of distinct neural SDE models corresponding to each change point. Specifically, the SDEs are learned under the framework of generative adversarial networks (GANs) and the change points are detected based on the output of the GAN discriminator in a forward pass. At each step of the proposed algorithm, the change points and the SDE model parameters are updated in an alternating fashion. Numerical results on both synthetic and real datasets are provided to validate the performance of our algorithm in comparison to classical change point detection benchmarks, standard GAN-based neural SDEs, and other state-of-the-art deep generative models for time series data.
Underwater Acoustic Signal Recognition Based on Salient Feature
Authors: Minghao Chen
Date: 2023-12-20 00:00:00
Tasks: Continual Learning, Deep Learning

With the rapid advancement of technology, the recognition of underwater acoustic signals in complex environments has become increasingly crucial. Currently, mainstream underwater acoustic signal recognition relies primarily on time-frequency analysis to extract spectral features, finding widespread applications in the field. However, existing recognition methods heavily depend on expert systems, facing limitations such as restricted knowledge bases and challenges in handling complex relationships. These limitations stem from the complexity and maintenance difficulties associated with rules or inference engines. Recognizing the potential advantages of deep learning in handling intricate relationships, this paper proposes a method utilizing neural networks for underwater acoustic signal recognition. The proposed approach involves continual learning of features extracted from spectra for the classification of underwater acoustic signals. Deep learning models can automatically learn abstract features from data and continually adjust weights during training to enhance classification performance.
Augment on Manifold: Mixup Regularization with UMAP
Authors: Yousef El-Laham, Elizabeth Fons, Dillon Daudert, Svitlana Vyetrenko
Date: 2023-12-20 00:00:00
Tasks: Data Augmentation, Deep Learning, Dimensionality Reduction

Data augmentation techniques play an important role in enhancing the performance of deep learning models. Despite their proven benefits in computer vision tasks, their application in the other domains remains limited. This paper proposes a Mixup regularization scheme, referred to as UMAP Mixup, designed for ``on-manifold" automated data augmentation for deep learning predictive models. The proposed approach ensures that the Mixup operations result in synthesized samples that lie on the data manifold of the features and labels by utilizing a dimensionality reduction technique known as uniform manifold approximation and projection. Evaluations across diverse regression tasks show that UMAP Mixup is competitive with or outperforms other Mixup variants, show promise for its potential as an effective tool for enhancing the generalization performance of deep learning models.
Molecular Hypergraph Neural Networks
Authors: Junwu Chen, Philippe Schwaller
Date: 2023-12-20 00:00:00
Tasks: Property Prediction

Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order connections like multi-center bonds and conjugated structures. To tackle this challenge, we introduce molecular hypergraphs and propose Molecular Hypergraph Neural Networks (MHNN) to predict the optoelectronic properties of organic semiconductors, where hyperedges represent conjugated structures. A general algorithm is designed for irregular high-order connections, which can efficiently operate on molecular hypergraphs with hyperedges of various orders. The results show that MHNN outperforms all baseline models on most tasks of OPV, OCELOTv1 and PCQM4Mv2 datasets. Notably, MHNN achieves this without any 3D geometric information, surpassing the baseline model that utilizes atom positions. Moreover, MHNN achieves better performance than pretrained GNNs under limited training data, underscoring its excellent data efficiency. This work provides a new strategy for more general molecular representations and property prediction tasks related to high-order connections.
Distribution-Dependent Rates for Multi-Distribution Learning
Authors: Rafael Hanashiro, Patrick Jaillet
Date: 2023-12-20 00:00:00
Tasks: Multi-Armed Bandits

To address the needs of modeling uncertainty in sensitive machine learning applications, the setup of distributionally robust optimization (DRO) seeks good performance uniformly across a variety of tasks. The recent multi-distribution learning (MDL) framework tackles this objective in a dynamic interaction with the environment, where the learner has sampling access to each target distribution. Drawing inspiration from the field of pure-exploration multi-armed bandits, we provide distribution-dependent guarantees in the MDL regime, that scale with suboptimality gaps and result in superior dependence on the sample size when compared to the existing distribution-independent analyses. We investigate two non-adaptive strategies, uniform and non-uniform exploration, and present non-asymptotic regret bounds using novel tools from empirical process theory. Furthermore, we devise an adaptive optimistic algorithm, LCB-DR, that showcases enhanced dependence on the gaps, mirroring the contrast between uniform and optimistic allocation in the multi-armed bandit literature.
Graphene: Infrastructure Security Posture Analysis with AI-generated Attack Graphs
Authors: Xin Jin, Charalampos Katsis, Fan Sang, Jiahao Sun, Elisa Bertino, Ramana Rao Kompella, Ashish Kundu
Date: 2023-12-20 00:00:00

The rampant occurrence of cybersecurity breaches imposes substantial limitations on the progress of network infrastructures, leading to compromised data, financial losses, potential harm to individuals, and disruptions in essential services. The current security landscape demands the urgent development of a holistic security assessment solution that encompasses vulnerability analysis and investigates the potential exploitation of these vulnerabilities as attack paths. In this paper, we propose Graphene, an advanced system designed to provide a detailed analysis of the security posture of computing infrastructures. Using user-provided information, such as device details and software versions, Graphene performs a comprehensive security assessment. This assessment includes identifying associated vulnerabilities and constructing potential attack graphs that adversaries can exploit. Furthermore, Graphene evaluates the exploitability of these attack paths and quantifies the overall security posture through a scoring mechanism. The system takes a holistic approach by analyzing security layers encompassing hardware, system, network, and cryptography. Furthermore, Graphene delves into the interconnections between these layers, exploring how vulnerabilities in one layer can be leveraged to exploit vulnerabilities in others. In this paper, we present the end-to-end pipeline implemented in Graphene, showcasing the systematic approach adopted for conducting this thorough security analysis.
LRS: Enhancing Adversarial Transferability through Lipschitz Regularized Surrogate
Authors: Tao Wu, Tie Luo, Donald C. Wunsch
Date: 2023-12-20 00:00:00
Tasks: Adversarial Robustness

The transferability of adversarial examples is of central importance to transfer-based black-box adversarial attacks. Previous works for generating transferable adversarial examples focus on attacking \emph{given} pretrained surrogate models while the connections between surrogate models and adversarial trasferability have been overlooked. In this paper, we propose {\em Lipschitz Regularized Surrogate} (LRS) for transfer-based black-box attacks, a novel approach that transforms surrogate models towards favorable adversarial transferability. Using such transformed surrogate models, any existing transfer-based black-box attack can run without any change, yet achieving much better performance. Specifically, we impose Lipschitz regularization on the loss landscape of surrogate models to enable a smoother and more controlled optimization process for generating more transferable adversarial examples. In addition, this paper also sheds light on the connection between the inner properties of surrogate models and adversarial transferability, where three factors are identified: smaller local Lipschitz constant, smoother loss landscape, and stronger adversarial robustness. We evaluate our proposed LRS approach by attacking state-of-the-art standard deep neural networks and defense models. The results demonstrate significant improvement on the attack success rates and transferability. Our code is available at https://github.com/TrustAIoT/LRS.
Pre-training of Molecular GNNs via Conditional Boltzmann Generator
Authors: Daiki Koge, Naoaki Ono, Shigehiko Kanaya
Date: 2023-12-20 00:00:00
Tasks: Molecular Property Prediction, Property Prediction

Learning representations of molecular structures using deep learning is a fundamental problem in molecular property prediction tasks. Molecules inherently exist in the real world as three-dimensional structures; furthermore, they are not static but in continuous motion in the 3D Euclidean space, forming a potential energy surface. Therefore, it is desirable to generate multiple conformations in advance and extract molecular representations using a 4D-QSAR model that incorporates multiple conformations. However, this approach is impractical for drug and material discovery tasks because of the computational cost of obtaining multiple conformations. To address this issue, we propose a pre-training method for molecular GNNs using an existing dataset of molecular conformations to generate a latent vector universal to multiple conformations from a 2D molecular graph. Our method, called Boltzmann GNN, is formulated by maximizing the conditional marginal likelihood of a conditional generative model for conformations generation. We show that our model has a better prediction performance for molecular properties than existing pre-training methods using molecular graphs and three-dimensional molecular structures.
Pyreal: A Framework for Interpretable ML Explanations
Authors: Alexandra Zytek, Wei-En Wang, Dongyu Liu, Laure Berti-Equille, Kalyan Veeramachaneni
Date: 2023-12-20 00:00:00
Tasks: Decision Making

Users in many domains use machine learning (ML) predictions to help them make decisions. Effective ML-based decision-making often requires explanations of ML models and their predictions. While there are many algorithms that explain models, generating explanations in a format that is comprehensible and useful to decision-makers is a nontrivial task that can require extensive development overhead. We developed Pyreal, a highly extensible system with a corresponding Python implementation for generating a variety of interpretable ML explanations. Pyreal converts data and explanations between the feature spaces expected by the model, relevant explanation algorithms, and human users, allowing users to generate interpretable explanations in a low-code manner. Our studies demonstrate that Pyreal generates more useful explanations than existing systems while remaining both easy-to-use and efficient.
AutoXPCR: Automated Multi-Objective Model Selection for Time Series Forecasting
Authors: Raphael Fischer, Amal Saadallah
Date: 2023-12-20 00:00:00
Tasks: AutoML, Meta-Learning, Model Selection, Time Series, Time Series Forecasting

Automated machine learning (AutoML) streamlines the creation of ML models. While most methods select the "best" model based on predictive quality, it's crucial to acknowledge other aspects, such as interpretability and resource consumption. This holds particular importance in the context of deep neural networks (DNNs), as these models are often perceived as computationally intensive black boxes. In the challenging domain of time series forecasting, DNNs achieve stunning results, but specialized approaches for automatically selecting models are scarce. In this paper, we propose AutoXPCR - a novel method for automated and explainable multi-objective model selection. Our approach leverages meta-learning to estimate any model's performance along PCR criteria, which encompass (P)redictive error, (C)omplexity, and (R)esource demand. Explainability is addressed on multiple levels, as our interactive framework can prioritize less complex models and provide by-product explanations of recommendations. We demonstrate practical feasibility by deploying AutoXPCR on over 1000 configurations across 114 data sets from various domains. Our method clearly outperforms other model selection approaches - on average, it only requires 20% of computation costs for recommending models with 90% of the best-possible quality.