DeepNLP/ICLR-2023-Accepted-Papers huggingface dataset:
Does Learning from Decentralized Non-IID Unlabeled Data Benefit from Self Supervision?
Authors: Lirui Wang,Kaiqing Zhang,Yunzhu Li,Yonglong Tian,Russ Tedrake

The success of machine learning relies heavily on massive amounts of data, which are usually generated and stored across a range of diverse and distributed data sources. Decentralized learning has thus been advocated and widely deployed to make efficient use of distributed datasets, with an extensive focus on supervised learning (SL) problems. Unfortunately, the majority of real-world data are unlabeled and can be highly heterogeneous across sources. In this work, we carefully study decentralized learning with unlabeled data through the lens of self-supervised learning (SSL), specifically contrastive visual representation learning. We study the effectiveness of a range of contrastive learning algorithms under a decentralized learning setting, on relatively large-scale datasets including ImageNet-100, MS-COCO, and a new real-world robotic warehouse dataset. Our experiments show that the decentralized SSL (Dec-SSL) approach is robust to the heterogeneity of decentralized datasets, and learns useful representation for object classification, detection, and segmentation tasks, even when combined with the simple and standard decentralized learning algorithm of Federated Averaging (FedAvg). This robustness makes it possible to significantly reduce communication and to reduce the participation ratio of data sources with only minimal drops in performance. Interestingly, using the same amount of data, the representation learned by Dec-SSL can not only perform on par with that learned by centralized SSL which requires communication and excessive data storage costs, but also sometimes outperform representations extracted from decentralized SL which requires extra knowledge about the data labels. Finally, we provide theoretical insights into understanding why data heterogeneity is less of a concern for Dec-SSL objectives, and introduce feature alignment and clustering techniques to develop a new Dec-SSL algorithm that further improves the performance, in the face of highly non-IID data. Our study presents positive evidence to embrace unlabeled data in decentralized learning, and we hope to provide new insights into whether and why decentralized SSL is effective and/or even advantageous.
Malign Overfitting: Interpolation and Invariance are Fundamentally at Odds
Authors: Yoav Wald,Gal Yona,Uri Shalit,Yair Carmon

Learned classifiers should often possess certain invariance properties meant to encourage fairness, robustness, or out-of-distribution generalization. 
However, multiple recent works empirically demonstrate that common invariance-inducing regularizers are ineffective in the over-parameterized regime, in which classifiers perfectly fit (i.e. interpolate) the training data. This suggests that the phenomenon of ``benign overfitting," in which models generalize well despite interpolating, might not favorably extend to settings in which robustness or fairness are desirable. 

In this work, we provide a theoretical justification for these observations. We prove that---even in the simplest of settings---any interpolating learning rule (with an arbitrarily small margin) will not satisfy these invariance properties. We then propose and analyze an algorithm that---in the same setting---successfully learns a non-interpolating classifier that is provably invariant. We validate our theoretical observations on simulated data and the Waterbirds dataset.
Exploring and Exploiting Decision Boundary Dynamics for Adversarial Robustness
Authors: Yuancheng Xu,Yanchao Sun,Micah Goldblum,Tom Goldstein,Furong Huang

The robustness of a deep classifier can be characterized by its margins: the decision boundary's distances to natural data points. However, it is unclear whether existing robust training methods effectively increase the margin for each vulnerable point during training. To understand this, we propose a continuous-time framework for quantifying the relative speed of the decision boundary with respect to each individual point. Through visualizing the moving speed of the decision boundary under Adversarial Training, one of the most effective robust training algorithms, a surprising moving-behavior is revealed: the decision boundary moves away from some vulnerable points but simultaneously moves closer to others, decreasing their margins. To alleviate these conflicting dynamics of the decision boundary, we propose Dynamics-aware Robust Training (DyART), which encourages the decision boundary to engage in movement that prioritizes increasing smaller margins. In contrast to prior works, DyART directly operates on the margins rather than their indirect approximations, allowing for more targeted and effective robustness improvement. Experiments on the CIFAR-10 and Tiny-ImageNet datasets verify that DyART alleviates the conflicting dynamics of the decision boundary and obtains improved robustness under various perturbation sizes compared to the state-of-the-art defenses. Our code is available at https://github.com/Yuancheng-Xu/Dynamics-Aware-Robust-Training.
SMART: Sentences as Basic Units for Text Evaluation
Authors: Reinald Kim Amplayo,Peter J Liu,Yao Zhao,Shashi Narayan

Widely used evaluation metrics for text generation either do not work well with longer texts or fail to evaluate all aspects of text quality. In this paper, we introduce a new metric called SMART to mitigate such limitations. Specifically, we treat sentences as basic units of matching instead of tokens, and use a sentence matching function to soft-match candidate and reference sentences. Candidate sentences are also compared to sentences in the source documents to allow grounding (e.g., factuality) evaluation. Our results show that system-level correlations of our proposed metric with a model-based matching function outperforms all competing metrics on the SummEval summarization meta-evaluation dataset, while the same metric with a string-based matching function is competitive with current model-based metrics. The latter does not use any neural model, which is useful during model development phases where resources can be limited and fast evaluation is required. SMART also outperforms all factuality evaluation metrics on the TRUE benchmark. Finally, we also conducted extensive analyses showing that our proposed metrics work well with longer  summaries and are less biased towards specific models.
Tier Balancing: Towards Dynamic Fairness over Underlying Causal Factors
Authors: Zeyu Tang,Yatong Chen,Yang Liu,Kun Zhang

The pursuit of long-term fairness involves the interplay between decision-making and the underlying data generating process. In this paper, through causal modeling with a directed acyclic graph (DAG) on the decision-distribution interplay, we investigate the possibility of achieving long-term fairness from a dynamic perspective. We propose Tier Balancing, a technically more challenging but more natural notion to achieve in the context of long-term, dynamic fairness analysis. Different from previous fairness notions that are defined purely on observed variables, our notion goes one step further, capturing behind-the-scenes situation changes on the unobserved latent causal factors that directly carry out the influence from the current decision to the future data distribution. Under the specified dynamics, we prove that in general one cannot achieve the long-term fairness goal only through one-step interventions. Furthermore, in the effort of approaching long-term fairness, we consider the mission of "getting closer to" the long-term fairness goal and present possibility and impossibility results accordingly.
Anamnesic Neural Differential Equations with Orthogonal Polynomial Projections
Authors: Edward De Brouwer,Rahul G Krishnan

Neural ordinary differential equations (Neural ODEs) are an effective framework for learning dynamical systems from irregularly sampled time series data. These models provide a continuous-time latent representation of the underlying dynamical system where new observations at arbitrary time points can be used to update the latent representation of the dynamical system. Existing parameterizations for the dynamics functions of Neural ODEs limit the ability of the model to retain global information about the time series; specifically, a piece-wise integration of the latent process between observations can result in a loss of memory on the dynamic patterns of previously observed data points. We propose PolyODE, a Neural ODE that models the latent continuous-time process as a projection onto a basis of orthogonal polynomials. This formulation enforces long-range memory and preserves a global representation of the underlying dynamical system. Our construction is backed by favourable theoretical guarantees and in a series of experiments, we demonstrate that it outperforms previous works in the reconstruction of past and future data, and in downstream prediction tasks.
AutoTransfer: AutoML with Knowledge Transfer - An Application to Graph Neural Networks
Authors: Kaidi Cao,Jiaxuan You,Jiaju Liu,Jure Leskovec

AutoML has demonstrated remarkable success in finding an effective neural architecture for a given machine learning task defined by a specific dataset and an evaluation metric. However, most present AutoML techniques consider each task independently from scratch, which requires exploring many architectures, leading to high computational cost. Here we propose AutoTransfer, an AutoML solution that improves search efficiency by transferring the prior architectural design knowledge to the novel task of interest. Our key innovation includes a task-model bank that captures the model performance over a diverse set of GNN architectures and tasks, and a computationally efficient task embedding that can accurately measure the similarity among different tasks. Based on the task-model bank and the task embeddings, we estimate the design priors of desirable models of the novel task, by aggregating a similarity-weighted sum of the top-K design distributions on tasks that are similar to the task of interest. The computed design priors can be used with any AutoML search algorithm. We evaluate AutoTransfer on six datasets in the graph machine learning domain. Experiments demonstrate that (i) our proposed task embedding can be computed efficiently, and that tasks with similar embeddings have similar best-performing architectures; (ii) AutoTransfer significantly improves search efficiency with the transferred design priors, reducing the number of explored architectures by an order of magnitude. Finally, we release GNN-Bank-101, a large-scale dataset of detailed GNN training information of 120,000 task-model combinations to facilitate and inspire future research.
Temporal Dependencies in Feature Importance for Time Series Prediction
Authors: Kin Kwan Leung,Clayton Rooke,Jonathan Smith,Saba Zuberi,Maksims Volkovs

Time series data introduces two key challenges for explainability methods: firstly, observations of the same feature over subsequent time steps are not independent, and secondly, the same feature can have varying importance to model predictions over time. In this paper, we propose Windowed Feature Importance in Time (WinIT), a feature removal based explainability approach to address these issues. Unlike existing feature removal explanation methods, WinIT explicitly accounts for the temporal dependence between different observations of the same feature in the construction of its importance score. Furthermore, WinIT captures the varying importance of a feature over time, by summarizing its importance over a window of past time steps. We conduct an extensive empirical study on synthetic and real-world data, compare against a wide range of leading explainability methods, and explore the impact of various evaluation strategies. Our results show that WinIT achieves significant gains over existing methods, with more consistent performance across different evaluation metrics.
Characterizing the spectrum of the NTK via a power series expansion
Authors: Michael Murray,Hui Jin,Benjamin Bowman,Guido Montufar

Under mild conditions on the network initialization we derive a power series expansion for the Neural Tangent Kernel (NTK) of arbitrarily deep feedforward networks in the infinite width limit. We provide expressions for the coefficients of this power series which depend on both the Hermite coefficients of the activation function as well as the depth of the network. We observe faster decay of the Hermite coefficients leads to faster decay in the NTK coefficients and explore the role of depth. Using this series, first we relate the effective rank of the NTK to the effective rank of the input-data Gram. Second, for data drawn uniformly on the sphere we study the eigenvalues of the NTK, analyzing the impact of the choice of activation function. Finally, for generic data and activation functions with sufficiently fast Hermite coefficient decay, we derive an asymptotic upper bound on the spectrum of the NTK.
A critical look at the evaluation of GNNs under heterophily: Are we really making progress?
Authors: Oleg Platonov,Denis Kuznedelev,Michael Diskin,Artem Babenko,Liudmila Prokhorenkova

Node classification is a classical graph representation learning task on which Graph Neural Networks (GNNs) have recently achieved strong results. However, it is often believed that standard GNNs only work well for homophilous graphs, i.e., graphs where edges tend to connect nodes of the same class. Graphs without this property are called heterophilous, and it is typically assumed that specialized methods are required to achieve strong performance on such graphs. In this work, we challenge this assumption. First, we show that the standard datasets used for evaluating heterophily-specific models have serious drawbacks, making results obtained by using them unreliable. The most significant of these drawbacks is the presence of a large number of duplicate nodes in the datasets Squirrel and Chameleon, which leads to train-test data leakage. We show that removing duplicate nodes strongly affects GNN performance on these datasets. Then, we propose a set of heterophilous graphs of varying properties that we believe can serve as a better benchmark for evaluating the performance of GNNs under heterophily. We show that standard GNNs achieve strong results on these heterophilous graphs, almost always outperforming specialized models. Our datasets and the code for reproducing our experiments are available at https://github.com/yandex-research/heterophilous-graphs
A Non-monotonic Self-terminating Language Model
Authors: Eugene Choi,Kyunghyun Cho,Cheolhyoung Lee

Recent large-scale neural autoregressive sequence models have shown impressive performances on a variety of natural language generation tasks. However, their generated sequences often exhibit degenerate properties such as non-termination, undesirable repetition, and premature termination, when generated with decoding algorithms such as greedy search, beam search, top-$k$ sampling, and nucleus sampling. In this paper, we focus on the problem of non-terminating sequences resulting from an incomplete decoding algorithm. We first define an incomplete probable decoding algorithm which includes greedy search, top-$k$ sampling, and nucleus sampling, beyond the incomplete decoding algorithm originally put forward by Welleck et al. (2020). We then propose a non-monotonic self-terminating language model, which significantly relaxes the constraint of monotonically increasing termination probability in the originally proposed self-terminating language model by Welleck et al. (2020), to address the issue of non-terminating sequences when using incomplete probable decoding algorithms. We prove that our proposed model prevents non-terminating sequences when using not only incomplete probable decoding algorithms but also beam search. We empirically validate our model on sequence completion tasks with various architectures.
Learning to Segment from Noisy Annotations: A Spatial Correction Approach
Authors: Jiachen Yao,Yikai Zhang,Songzhu Zheng,Mayank Goswami,Prateek Prasanna,Chao Chen

Noisy labels can significantly affect the performance of deep neural networks (DNNs). In medical image segmentation tasks, annotations are error-prone due to the high demand in annotation time and in the annotators' expertise. Existing methods mostly tackle label noise in classification tasks. Their independent-noise assumptions do not fit label noise in segmentation task. In this paper, we propose a novel noise model for segmentation problems that encodes spatial correlation and bias, which are prominent in segmentation annotations. Further, to mitigate such label noise, we propose a label correction method to recover true label progressively. We provide theoretical guarantees of the correctness of the proposed method. Experiments show that our approach outperforms current state-of-the-art methods on both synthetic and real-world noisy annotations.
Measuring Forgetting of Memorized Training Examples
Authors: Matthew Jagielski,Om Thakkar,Florian Tramer,Daphne Ippolito,Katherine Lee,Nicholas Carlini,Eric Wallace,Shuang Song,Abhradeep Guha Thakurta,Nicolas Papernot,Chiyuan Zhang

Machine learning models exhibit two seemingly contradictory phenomena: training data memorization and various forms of forgetting. In memorization, models overfit specific training examples and become susceptible to privacy attacks. In forgetting, examples which appeared early in training are forgotten by the end. In this work, we connect these phenomena.
We propose a technique to measure to what extent models ``forget'' the specifics of training examples, becoming less susceptible to privacy attacks on examples they have not seen recently.
We show that, while non-convexity can prevent forgetting from happening in the worst-case, standard image,speech, and language models empirically do forget examples over time.
We identify nondeterminism as a potential explanation, showing that deterministically trained models do not forget.
Our results suggest that examples seen early when training with extremely large datasets---for instance those examples used to pre-train a model---may observe privacy benefits at the expense of examples seen later.
MaskViT: Masked Visual Pre-Training for Video Prediction
Authors: Agrim Gupta,Stephen Tian,Yunzhi Zhang,Jiajun Wu,Roberto Martín-Martín,Li Fei-Fei

The ability to predict future visual observations conditioned on past observations and motor commands can enable embodied agents to plan solutions to a variety of tasks in complex environments. This work shows that we can create good video prediction models by pre-training transformers via masked visual modeling. Our approach, named MaskViT, is based on two simple design decisions. First, for memory and training efficiency, we use two types of window attention: spatial and spatiotemporal. Second, during training, we mask a variable percentage of tokens instead of a fixed mask ratio. For inference, MaskViT generates all tokens via iterative refinement where we incrementally decrease the masking ratio following a mask scheduling function. On several datasets we demonstrate that MaskViT outperforms prior works in video prediction, is parameter efficient, and can generate high resolution videos ($256 \times $256). Further, we demonstrate the benefits of inference speedup (up to $512 \times$) due to iterative decoding by using MaskViT for planning on a real robot. Our work suggests that we can endow embodied agents with powerful predictive models by leveraging the general framework of masked visual modeling with minimal domain knowledge.
Text Summarization with Oracle Expectation
Authors: Yumo Xu,Mirella Lapata

Extractive summarization produces summaries by identifying and concatenating the most important sentences in a document. Since most summarization datasets do not come with gold labels indicating whether document sentences are summary-worthy, different labeling algorithms have been proposed to extrapolate oracle extracts for model training. In this work, we identify two flaws with the widely used greedy labeling approach: it delivers suboptimal and deterministic oracles. To alleviate both issues, we propose a simple yet effective labeling algorithm that creates soft, expectation-based sentence labels. We define a new learning objective for extractive summarization which incorporates learning signals from multiple oracle summaries and prove it is equivalent to estimating the oracle expectation for each document sentence. Without any architectural modifications, the proposed labeling scheme achieves superior performance on a variety of summarization benchmarks across domains and languages, in both supervised and zero-shot settings.
Continuous-time identification of dynamic state-space models by deep subspace encoding
Authors: Gerben I. Beintema,Maarten Schoukens,Roland Tóth

Continuous-time (CT) modeling has proven to provide improved sample efficiency and interpretability in learning the dynamical behavior of physical systems compared to discrete-time (DT) models. However, even with numerous recent developments, the CT nonlinear state-space (NL-SS) model identification problem remains to be solved in full, considering common experimental aspects such as the presence of external inputs, measurement noise, latent states, and general robustness. This paper presents a novel estimation method that addresses all these aspects and that can obtain state-of-the-art results on multiple benchmarks with compact fully connected neural networks capturing the CT dynamics. The proposed estimation method called the subspace encoder approach (SUBNET) ascertains these results by efficiently approximating the complete simulation loss by evaluating short simulations on subsections of the data, by using an encoder function to estimate the initial state for each subsection and a novel state-derivative normalization to ensure stability and good numerical conditioning of the training process. We prove that the use of subsections increases cost function smoothness together with the necessary requirements for the existence of the encoder function and we show that the proposed state-derivative normalization is essential for reliable estimation of CT NL-SS models.
How to Train your HIPPO: State Space Models with Generalized Orthogonal Basis Projections
Authors: Albert Gu,Isys Johnson,Aman Timalsina,Atri Rudra,Christopher Re

Linear time-invariant state space models (SSM) are a classical model from engineering and statistics, that have recently been shown to be very promising in machine learning through the Structured State Space sequence model (S4). A core component of S4 involves initializing the SSM state matrix to a particular matrix called a HiPPO matrix, which was empirically important for S4's ability to handle long sequences. However, the specific matrix that S4 uses was actually derived in previous work for a particular *time-varying* dynamical system, and the use of this matrix as a *time-invariant* SSM had no known mathematical interpretation. Consequently, the theoretical mechanism by which S4 models long-range dependencies actually remains unexplained. We derive a more general and intuitive formulation of the HiPPO framework, which provides a simple mathematical interpretation of S4 as a decomposition onto exponentially-warped Legendre polynomials, explaining its ability to capture long dependencies. Our generalization introduces a theoretically rich class of SSMs that also lets us derive more intuitive S4 variants for other bases such as the Fourier basis, and explains other aspects of training S4, such as how to initialize the important timescale parameter. These insights improve S4's performance to 86% on the Long Range Arena benchmark, with 96% on the most difficult Path-X task.