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Social Aspects · Accountability, Transparency and Interpretability

Guihong Li, Hsiang Hsu, Chun-Fu Chen, Radu Marculescu

Machine unlearning has emerged as a new paradigm to deliberately forget data samples from a given model in order to adhere to stringent regulations.However, existing machine unlearning methods have been primarily focused on classification models, leaving the landscape of unlearning for generative models relatively unexplored.This paper serves as a bridge, addressing the gap by providing a unifying framework of machine unlearning for image-to-image generative models.Within this framework, we propose a computationally-efficient algorithm, underpinned by rigorous theoretical analysis, that demonstrates negligible performance degradation on the retain samples, while effectively removing the information from the forget samples. Empirical studies on two large-scale datasets, ImageNet-1K and Places-365, further show that our algorithm does not rely on the availability of the retain samples, which further complies with data retention policy.To our best knowledge, this work is the first that represents systemic, theoretical, empirical explorations of machine unlearning specifically tailored for image-to-image generative models.

Deep Learning · Graph Neural Networks

Hanqing Zeng, Hanjia Lyu, Diyi Hu, Yinglong Xia, Jiebo Luo

Realistic graphs contain both (1) rich self-features of nodes and (2) informative structures of neighborhoods, jointly handled by a Graph Neural Network (GNN) in the typical setup. We propose to decouple the two modalities by **M**ixture **o**f **w**eak and **st**rong experts (**Mowst**), where the weak expert is a light-weight Multi-layer Perceptron (MLP), and the strong expert is an off-the-shelf GNN. To adapt the experts' collaboration to different target nodes, we propose a "confidence" mechanism based on the dispersion of the weak expert's prediction logits. The strong expert is conditionally activated in the low-confidence region when either the node's classification relies on neighborhood information, or the weak expert has low model quality. We reveal interesting training dynamics by analyzing the influence of the confidence function on loss: our training algorithm encourages the specialization of each expert by effectively generating soft splitting of the graph. In addition, our "confidence" design imposes a desirable bias toward the strong expert to benefit from GNN's better generalization capability. Mowst is easy to optimize and achieves strong expressive power, with a computation cost comparable to a single GNN. Empirically, Mowst on 4 backbone GNN architectures show significant accuracy improvement on 6 standard node classification benchmarks, including both homophilous and heterophilous graphs (https://github.com/facebookresearch/mowst-gnn).

Deep Learning · Sequential Models, Time series

Seunghan Lee, Taeyoung Park, Kibok Lee

Contrastive learning has shown to be effective to learn representations from time series in a self-supervised way.However, contrasting similar time series instances or values from adjacent timestamps within a time series leads to ignore their inherent correlations, which results in deteriorating the quality of learned representations.To address this issue, we propose \textit{SoftCLT}, a simple yet effective soft contrastive learning strategy for time series.This is achieved by introducing instance-wise and temporal contrastive loss with soft assignments ranging from zero to one.Specifically, we define soft assignments for 1) instance-wise contrastive loss by distance between time series on the data space, warping and 2) temporal contrastive loss by the difference of timestamps.SoftCLT is a plug-and-play method for time series contrastive learning that improves the quality of learned representations without bells and whistles.In experiments, we demonstrate that SoftCLT consistently improves the performance in various downstream tasks including classification, semi-supervised learning, transfer learning, and anomaly detection, showing state-of-the-art performance.Code is available at this repository: https://github.com/seunghan96/softclt.

Deep Learning · Sequential Models, Time series

Seunghan Lee, Taeyoung Park, Kibok Lee

Masked time series modeling has recently gained much attention as a self-supervised representation learning strategy for time series.Inspired by masked image modeling in computer vision, recent works first patchify and partially mask out time series, and then train Transformers to capture the dependencies between patches by predicting masked patches from unmasked patches.However, we argue that capturing such patch dependencies might not be an optimal strategy for time series representation learning;rather, learning to embed patches independently results in better time series representations.Specifically, we propose to use 1) the simple patch reconstruction task, which autoencode each patch without looking at other patches, and 2) the simple patch-wise MLP that embeds each patch independently.In addition, we introduce complementary contrastive learning to hierarchically capture adjacent time series information efficiently.Our proposed method improves time series forecasting and classification performance compared to state-of-the-art Transformer-based models, while it is more efficient in terms of the number of parameters and training time.Code is available at this repository: https://github.com/seunghan96/pits.

Social Aspects · Fairness, Equity, Justice and Safety

Pangpang Liu, Yichuan Zhao

Machine learning algorithms are commonly being deployed in decision-making systems that have a direct impact on human lives. However, if these algorithms are trained solely to minimize training/test errors, they may inadvertently discriminate against individuals based on their sensitive attributes, such as gender, race or age. Recently, algorithms that ensure the fairness are developed in the machine learning community. Fairness criteria are applied by these algorithms to measure the fairness, but they often use the point estimate to assess the fairness and fail to consider the uncertainty of the sample fairness criterion once the algorithms are deployed. We suggest that assessing the fairness should take the uncertainty into account. In this paper, we use the covariance as a proxy for the fairness and develop the confidence region of the covariance vector using empirical likelihood \citep{Owen1988}. Our confidence region based fairness constraints for classification take uncertainty into consideration during fairness assessment. The proposed confidence region can be used to test the fairness and impose fairness constraint using the significant level as a tool to balance the accuracy and fairness. Simulation studies show that our method exactly covers the target Type I error rate and effectively balances the trade-off between accuracy and fairness. Finally, we conduct data analysis to demonstrate the effectiveness of our method.

Miscellaneous Aspects of Machine Learning · Representation Learning

Zhongqi Yue, Jiankun Wang, Qianru Sun, Lei Ji, Eric Chang, Hanwang Zhang

Representation learning is all about discovering the hidden modular attributes that generate the data faithfully. We explore the potential of Denoising Diffusion Probabilistic Model (DM) in unsupervised learning of the modular attributes. We build a theoretical framework that connects the diffusion time-steps and the hidden attributes, which serves as an effective inductive bias for unsupervised learning. Specifically, the forward diffusion process incrementally adds Gaussian noise to samples at each time-step, which essentially collapses different samples into similar ones by losing attributes, e.g., fine-grained attributes such as texture are lost with less noise added (i.e., early time-steps), while coarse-grained ones such as shape are lost by adding more noise (i.e., late time-steps). To disentangle the modular attributes, at each time-step t, we learn a t-specific feature to compensate for the newly lost attribute, and the set of all {1,...,t}-specific features, corresponding to the cumulative set of lost attributes, are trained to make up for the reconstruction error of a pre-trained DM at time-step t. On CelebA, FFHQ, and Bedroom datasets, the learned feature significantly improves attribute classification and enables faithful counterfactual generation, e.g., interpolating only one specified attribute between two images, validating the disentanglement quality. Codes are in https://github.com/yue-zhongqi/diti.

Deep Learning · Robustness

Anna Bair, Hongxu Yin, Maying Shen, Pavlo Molchanov, Jose M. Alvarez

Robustness and compactness are two essential attributes of deep learning models that are deployed in the real world. The goals of robustness and compactness may seem to be at odds, since robustness requires generalization across domains, while the process of compression exploits specificity in one domain. We introduce \textit{Adaptive Sharpness-Aware Pruning (AdaSAP)}, which unifies these goals through the lens of network sharpness. The AdaSAP method produces sparse networks that are robust to input variations which are \textit{unseen at training time}. We achieve this by strategically incorporating weight perturbations in order to optimize the loss landscape. This allows the model to be both primed for pruning and regularized for improved robustness. AdaSAP improves the robust accuracy of pruned models on image classification by up to +6\% on ImageNet C and +4\% on ImageNet V2, and on object detection by +4\% on a corrupted Pascal VOC dataset, over a wide range of compression ratios, pruning criteria, and network architectures, outperforming recent pruning art by large margins.

Applications · Neuroscience, Cognitive Science

T. Anderson Keller, Lyle Muller, Terrence Sejnowski, Max Welling

Traveling waves of neural activity have been observed throughout the brain at a diversity of regions and scales; however, their precise computational role is still debated. One physically inspired hypothesis suggests that the cortical sheet may act like a wave-propagating system capable of invertibly storing a short-term memory of sequential stimuli through induced waves traveling across the cortical surface, and indeed many experimental results from neuroscience correlate wave activity with memory tasks. To date, however, the computational implications of this idea have remained hypothetical due to the lack of a simple recurrent neural network architecture capable of exhibiting such waves. In this work, we introduce a model to fill this gap, which we denote the Wave-RNN (wRNN), and demonstrate how such an architecture indeed efficiently encodes the recent past through a suite of synthetic memory tasks where wRNNs learn faster and reach significantly lower error than wave-free counterparts. We further explore the implications of this memory storage system on more complex sequence modeling tasks such as sequential image classification and find that wave-based models not only again outperform comparable wave-free RNNs while using significantly fewer parameters, but additionally perform comparably to more complex gated architectures such as LSTMs and GRUs.

Social Aspects · Accountability, Transparency and Interpretability

Krzysztof Kacprzyk, Tennison Liu, Mihaela van der Schaar

Transparent machine learning (ML) models are essential for ensuring interpretability and trustworthiness in decision-making systems, particularly in high-stakes domains such as healthcare, finance, and criminal justice. While transparent machine learning models have been proposed for classification and regression, time series forecasting presents some unique challenges for ensuring transparency. In particular, currently used bottom-up approaches that focus on the values of the time series at specific time points (usually regularly spaced) do not provide a holistic understanding of the entire time series. This limits the applicability of ML in many critical areas. To open up these domains for ML, we propose a top-down framework of bi-level transparency, which involves understanding the higher-level trends and the lower-level properties of the predicted time series. Applying this framework, we develop TIMEVIEW, a transparent ML model for time series forecasting based on static features, complemented with an interactive visualization tool. Through a series of experiments, we demonstrate the efficacy and interpretability of our approach, paving the way for more transparent and reliable applications of ML in various domains.

Deep Learning · Graph Neural Networks

Florian Frantzen, Michael Schaub

Triggered by limitations of graph-based deep learning methods in terms of computational expressivity and model flexibility, recent years have seen a surge of interest in computational models that operate on higher-order topological domains such as hypergraphs and simplicial complexes. While the increased expressivity of these models can indeed lead to a better classification performance and a more faithful representation of the underlying system, the computational cost of these higher-order models can increase dramatically. To this end, we here explore a simplicial complex neural network learning architecture based on random walks and fast 1D convolutions (SCRaWl), in which we can adjust the increase in computational cost by varying the length and number of random walks considered while accounting for higher-order relationships. Importantly, due to the random walk-based design, the expressivity of the proposed architecture is provably incomparable to that of existing message-passing simplicial neural networks. We empirically evaluate SCRaWl on real-world datasets and show that it outperforms other simplicial neural networks.

Deep Learning · Other Representation Learning

Jianhao Yuan, Jie Zhang, Shuyang Sun, Philip Torr, Bo ZHAO

Synthetic training data has gained prominence in numerous learning tasks and scenarios, offering advantages such as dataset augmentation, generalization evaluation, and privacy preservation. Despite these benefits, the efficiency of synthetic data generated bycurrent methodologies remains inferior when training advanced deep models exclusively, limiting its practical utility. To address this challenge, we analyze the principles underlying training data synthesis for supervised learning and elucidate a principled theoretical framework from the distribution-matching perspective that explicates the mechanisms governing synthesis efficacy. Through extensive experiments, we demonstrate the effectiveness of our synthetic data across diverse image classification tasks, both as a replacement for and augmentation to real datasets, while also benefits such as out-of-distribution generalization, privacy preservation, and scalability. Specifically, we achieve 70.9% top1 classification accuracy on ImageNet1K when training solely with synthetic data equivalentto 1 × the original real data size, which increases to 76.0% when scaling up to 10 × synthetic data.

Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques

Anshuman Chhabra, Peizhao Li, Prasant Mohapatra, Hongfu Liu

Classification models are ubiquitously deployed in society and necessitate high utility, fairness, and robustness performance. Current research efforts mainly focus on improving model architectures and learning algorithms on fixed datasets to achieve this goal. In contrast, in this paper, we address an orthogonal yet crucial problem: given a fixed convex learning model (or a convex surrogate for a non-convex model) and a function of interest, we assess what data benefits the model by interpreting the feature space, and then aim to improve performance as measured by this function. To this end, we propose the use of influence estimation models for interpreting the classifier's performance from the perspective of the data feature space. Additionally, we propose data selection approaches based on influence that enhance model utility, fairness, and robustness. Through extensive experiments on synthetic and real-world datasets, we validate and demonstrate the effectiveness of our approaches not only for conventional classification scenarios, but also under more challenging scenarios such as distribution shifts, fairness poisoning attacks, utility evasion attacks, online learning, and active learning.

Deep Learning · Robustness

Huaxiu Yao, Xinyu Yang, Xinyi Pan, Shengchao Liu, Pang Wei Koh, Chelsea Finn

Distribution shift presents a significant challenge in machine learning, where models often underperform during the test stage when faced with a different distribution than the one they were trained on. In this paper, we focus on domain shifts, which occur when the model is applied to new domains that are different from the ones it was trained on, and propose a new approach called DG. Unlike previous approaches that aim to learn a single model that is domain invariant, DG leverages domain similarities based on domain metadata to learn domain-specific models. Concretely, DG learns a set of training-domain-specific functions during the training stage and reweights them based on domain relations during the test stage. These domain relations can be directly obtained and learned from domain metadata. Under mild assumptions, we theoretically prove that using domain relations to reweight training-domain-specific functions achieves stronger out-of-domain generalization compared to the conventional averaging approach. Empirically, we evaluate the effectiveness of DG using both toy and real-world datasets for tasks such as temperature regression, land use classification, and molecule-protein binding affinity prediction. Our results show that DG consistently outperforms state-of-the-art methods.

Deep Learning · Graph Neural Networks

Charilaos Kanatsoulis, Alejandro Ribeiro

Graph Neural Networks (GNNs) are powerful representation learning tools that have achieved remarkable performance in various downstream tasks. However, there are still open questions regarding their ability to count and list substructures, which play a crucial role in biological and social networks. In this work, we fill this gap and characterize the representation {and generalization} power of GNNs in terms of their ability to produce powerful representations that count substructures. In particular, we study the message-passing operations of GNNs with random node input in a novel fashion, and show how they can produce equivariant representations that are associated with high-order statistical moments. Using these representations, we prove that GNNs can learn how to count cycles, {cliques}, quasi-cliques, and the number of connected components in a graph. We also provide new insights into the generalization capacity of GNNs. Our analysis is constructive and enables the design of a generic GNN architecture that shows remarkable performance in four distinct tasks: cycle detection, cycle counting, graph classification, and molecular property prediction.

Deep Learning · Graph Neural Networks

Namyong Park, Xing Wang, Antoine Simoulin, Shuai Yang, Grey Yang, Ryan Rossi, Puja Trivedi, Nesreen Ahmed

Graph neural networks (GNNs) have achieved remarkable success across a wide range of applications, such as recommendation, drug discovery, and question answering. Behind the success of GNNs lies the backpropagation (BP) algorithm, which is the de facto standard for training deep neural networks (NNs). However, despite its effectiveness, BP imposes several constraints, which are not only biologically implausible, but also limit the scalability, parallelism, and flexibility in learning NNs. Examples of such constraints include storage of neural activities computed in the forward pass for use in the subsequent backward pass, and the dependence of parameter updates on non-local signals. To address these limitations, the forward-forward algorithm (FF) was recently proposed as an alternative to BP in the image classification domain, which trains NNs by performing two forward passes over positive and negative data. Inspired by this advance, we propose ForwardGNN in this work, a new forward learning procedure for GNNs, which avoids the constraints imposed by BP via an effective layer-wise local forward training. ForwardGNN extends the original FF to deal with graph data and GNNs, and makes it possible to operate without generating negative inputs (hence no longer forward-forward). Further, ForwardGNN enables each layer to learn from both the bottom-up and top-down signals without relying on the backpropagation of errors. Extensive experiments on real-world datasets show the effectiveness and generality of the proposed forward graph learning framework. We release our code at https://github.com/facebookresearch/forwardgnn.

Theory · Learning Theory

Gerard Ben Arous, Reza Gheissari, Jiaoyang Huang, Aukosh Jagannath

We rigorously study the joint evolution of training dynamics via stochastic gradient descent (SGD) and the spectra of empirical Hessian and gradient matrices. We prove that in two canonical classification tasks for multi-class high-dimensional mixtures and either 1 or 2-layer neural networks, the SGD trajectory rapidly aligns with emerging low-rank outlier eigenspaces of the Hessian and gradient matrices. Moreover, in multi-layer settings this alignment occurs per layer, with the final layer's outlier eigenspace evolving over the course of training, and exhibiting rank deficiency when the SGD converges to sub-optimal classifiers. This establishes some of the rich predictions that have arisen from extensive numerical studies in the last decade about the spectra of Hessian and information matrices over the course of training in overparametrized networks.

Theory · Learning Theory

Christopher Mohri, Daniel Andor, Eunsol Choi, Michael Collins, Anqi Mao, Yutao Zhong

We study the problem of classification with a reject option for a fixed predictor, crucial to natural language processing. We introduce a new problem formulation for this scenario, and an algorithm minimizing a new surrogate loss function. We provide a complete theoretical analysis of the surrogate loss function with a strong $H$-consistency guarantee. For evaluation, we choose the \textit{decontextualization} task, and provide a manually-labelled dataset of $2\mathord,000$ examples. Our algorithm significantly outperforms the baselines considered, with a $\sim 25$% improvement in coverage when halving the error rate, which is only $\sim 3$% away from the theoretical limit.

Deep Learning · Graph Neural Networks

Meng-Chieh Lee, Haiyang Yu, Jian Zhang, Vassilis N. Ioannidis, Xiang song, Soji Adeshina, Da Zheng, Christos Faloutsos

Given a node-attributed graph, and a graph task (link prediction or node classification), can we tell if a graph neural network (GNN) will perform well? More specifically, do the graph structure and the node features carry enough usable information for the task? Our goals are(1) to develop a fast tool to measure how much information is in the graph structure and in the node features, and(2) to exploit the information to solve the task, if there is enough.We propose NetInfoF, a framework including NetInfoF_Probe and NetInfoF_Act, for the measurement and the exploitation of network usable information (NUI), respectively. Given a graph data, NetInfoF_Probe measures NUI without any model training, and NetInfoF_Act solves link prediction and node classification, while two modules share the same backbone.In summary, NetInfoF has following notable advantages:(a) General, handling both link prediction and node classification;(b) Principled, with theoretical guarantee and closed-form solution;(c) Effective, thanks to the proposed adjustment to node similarity;(d) Scalable, scaling linearly with the input size.In our carefully designed synthetic datasets, NetInfoF correctly identifies the ground truth of NUI and is the only method being robust to all graph scenarios. Applied on real-world datasets, NetInfoF wins in 11 out of 12 times on link prediction compared to general GNN baselines.

Applications · Language, Speech and Dialog

Eliya Segev, Maya Alroy, Ronen Katsir, Noam Wies, Ayana Shenhav, Yael Ben-Oren, David Zar, Oren Tadmor, Jacob Bitterman, Amnon Shashua 等

Connectionist Temporal Classification (CTC) is a widely used criterion for training supervised sequence-to-sequence (seq2seq) models. It learns the alignments between the input and output sequences by marginalizing over the perfect alignments (that yield the ground truth), at the expense of the imperfect ones. This dichotomy, and in particular the equal treatment of all perfect alignments, results in a lack of controllability over the predicted alignments. This controllability is essential for capturing properties that hold significance in real-world applications. Here we propose Align With Purpose (AWP), a general Plug-and-Play framework for enhancing a desired property in models trained with the CTC criterion. We do that by complementing the CTC loss with an additional loss term that prioritizes alignments according to a desired property. AWP does not require any intervention in the CTC loss function, and allows to differentiate between both perfect and imperfect alignments for a variety of properties. We apply our framework in the domain of Automatic Speech Recognition (ASR) and show its generality in terms of property selection, architectural choice, and scale of the training dataset (up to 280,000 hours). To demonstrate the effectiveness of our framework, we apply it to two unrelated properties: token emission time for latency optimization and word error rate (WER). For the former, we report an improvement of up to 590ms in latency optimization with a minor reduction in WER, and for the latter, we report a relative improvement of 4.5% in WER over the baseline models. To the best of our knowledge, these applications have never been demonstrated to work on this scale of data. Notably, our method can be easily implemented using only a fewlines of code and can be extended to other alignment-free loss functions and to domains other than ASR.

Social Aspects · Accountability, Transparency and Interpretability

Xiaxia Wang, David Jaime Tena Cucala, Bernardo Grau, Ian Horrocks

There is increasing interest in methods for extracting interpretable rules from ML models trained to solve a wide range of tasks over knowledge graphs (KGs), such as KG completion, node classification, question answering and recommendation. Many such approaches, however, lack formal guarantees establishing the precise relationship between the model and the extracted rules, and this lack of assurance becomes especially problematic when the extracted rules are applied in safety-critical contexts or to ensure compliance with legal requirements. Recent research has examined whether the rules derived from the influential Neural-LP model exhibit soundness (or completeness), which means that the results obtained by applying the model to any dataset always contain (or are contained in) the results obtained by applying the rules to the same dataset. In this paper, we extend this analysis to the context of DRUM, an approach that has demonstrated superior practical performance. After observing that the rules currently extracted from a DRUM model can be unsound and/or incomplete, we propose a novel algorithm where the output rules, expressed in an extension of Datalog, ensure both soundness and completeness. This algorithm, however, can be inefficient in practice and hence we propose additional constraints to DRUM models facilitating rule extraction, albeit at the expense of reduced expressive power.