DeepNLP/ICLR-2023-Accepted-Papers huggingface dataset:
Anti-Symmetric DGN: a stable architecture for Deep Graph Networks
Authors: Alessio Gravina,Davide Bacciu,Claudio Gallicchio

Deep Graph Networks (DGNs) currently dominate the research landscape of learning from graphs, due to their efficiency and ability to implement an adaptive message-passing scheme between the nodes. However, DGNs are typically limited in their ability to propagate and preserve long-term dependencies between nodes, i.e., they suffer from the over-squashing phenomena. As a result, 
we can expect them to under-perform, since different problems require to capture interactions at different (and possibly large) radii in order to be effectively solved. In this work, we present Anti-Symmetric Deep Graph Networks (A-DGNs), a framework for stable and non-dissipative DGN design, conceived through the lens of ordinary differential equations. We give theoretical proof that our method is stable and non-dissipative, leading to two key results: long-range information between nodes is preserved, and no gradient vanishing or explosion occurs in training. We empirically validate the proposed approach on several graph benchmarks, showing that A-DGN yields to improved performance and enables to learn effectively even when dozens of layers are used.
Contrastive Learning for Unsupervised Domain Adaptation of Time Series
Authors: Yilmazcan Ozyurt,Stefan Feuerriegel,Ce Zhang

Unsupervised domain adaptation (UDA) aims at learning a machine learning model using a labeled source domain that performs well on a similar yet different, unlabeled target domain. UDA is important in many applications such as medicine, where it is used to adapt risk scores across different patient cohorts. In this paper, we develop a novel framework for UDA of time series data, called CLUDA. Specifically, we propose a contrastive learning framework to learn contextual representations in multivariate time series, so that these preserve label information for the prediction task. In our framework, we further capture the variation in the contextual representations between source and target domain via a custom nearest-neighbor contrastive learning. To the best of our knowledge, ours is the first framework to learn domain-invariant, contextual representation for UDA of time series data. We evaluate our framework using a wide range of time series datasets to demonstrate its effectiveness and show that it achieves state-of-the-art performance for time series UDA.
Online Low Rank Matrix Completion
Authors: Soumyabrata Pal,Prateek Jain

  We study the problem of online low-rank matrix completion with $\mathsf{M}$ users, $\mathsf{N}$ items and $\mathsf{T}$ rounds. In each round, the algorithm recommends one item per user, for which it gets a (noisy) reward sampled from a low-rank user-item preference matrix. The goal is to design a method with sub-linear regret (in $\mathsf{T}$) and nearly optimal dependence on $\mathsf{M}$ and $\mathsf{N}$. The problem can be easily mapped to the standard multi-armed bandit problem where each item is an independent arm, but that leads to poor regret as the correlation between arms and users is not exploited. On the other hand, exploiting the low-rank structure of reward matrix is challenging due to non-convexity of the low-rank manifold. We first demonstrate that the low-rank structure can be exploited  using a simple  explore-then-commit (ETC) approach that ensures a regret of $O(\mathsf{polylog} (\mathsf{M}+\mathsf{N}) \mathsf{T}^{2/3})$. That is, roughly only $\mathsf{polylog} (\mathsf{M}+\mathsf{N})$ item recommendations are required per user to get a non-trivial solution. We then improve our result for the  rank-$1$ setting which in itself is quite challenging and encapsulates some of the key issues. Here, we propose OCTAL (Online Collaborative filTering using iterAtive user cLustering) that guarantees nearly optimal regret of $O(\mathsf{polylog} (\mathsf{M}+\mathsf{N}) \mathsf{T}^{1/2})$. OCTAL is based on a novel technique of clustering users that allows iterative elimination of items and leads to a nearly optimal minimax rate.
Explaining RL Decisions with Trajectories
Authors: Shripad Vilasrao Deshmukh,Arpan Dasgupta,Balaji Krishnamurthy,Nan Jiang,Chirag Agarwal,Georgios Theocharous,Jayakumar Subramanian

Explanation is a key component for the adoption of reinforcement learning (RL) in many real-world decision-making problems. In the literature,  the explanation is often provided by saliency attribution to the features of the RL agent's state. In this work, we propose a complementary approach to these explanations, particularly for offline RL, where we attribute the policy decisions of a trained RL agent to the trajectories encountered by it during training. To do so, we encode trajectories in offline training data individually as well as collectively (encoding a set of trajectories). We then attribute policy decisions to a set of trajectories in this encoded space by estimating the sensitivity of the decision with respect to that set.  Further, we demonstrate the effectiveness of the proposed approach in terms of quality of attributions as well as practical scalability in diverse environments that involve both discrete and continuous state and action spaces such as grid-worlds, video games (Atari) and continuous control (MuJoCo). We also conduct a human study on a simple navigation task to observe how their understanding of the task compares with data attributed for a trained RL policy.
FastFill: Efficient Compatible Model Update
Authors: Florian Jaeckle,Fartash Faghri,Ali Farhadi,Oncel Tuzel,Hadi Pouransari

In many retrieval systems the original high dimensional data (e.g., images) is mapped to a lower dimensional feature through a learned embedding model. The task of retrieving the most similar data from a gallery set to a given query data is performed through similarity comparison on features. When the embedding model is updated, it might produce features that are not comparable/compatible with features already in the gallery computed with the old model. Subsequently, all features in the gallery need to be re-computed using the new embedding model -- a computationally expensive process called backfilling. Recently, compatible representation learning methods have been proposed to avoid back-filling. Despite their relative success, there is an inherent trade-off between new model performance and its compatibility with the old model. In this work, we introduce FastFill: a compatible model update process using feature alignment and policy based partial backfilling to promptly elevate retrieval performance. We show that previous backfilling strategies suffer from decreased performance and demonstrate the importance of both the training objective and the ordering in online partial backfilling. We propose a new training method for feature alignment between old and new embedding models using uncertainty estimation. Compared to previous works, we obtain significantly improved backfilling results on a variety of datasets: mAP on ImageNet (+4.4%), Places-365 (+2.7%), and VGG-Face2 (+1.3%). Further, we demonstrate that when updating a biased model with FastFill, the minority subgroup accuracy gap promptly vanishes with a small fraction of partial backfilling.
Learnable Graph Convolutional Attention Networks
Authors: Adrián Javaloy,Pablo Sanchez Martin,Amit Levi,Isabel Valera

Existing Graph Neural Networks (GNNs) compute the message exchange between nodes by either aggregating uniformly (convolving) the features of all the neighbor- ing nodes, or by applying a non-uniform score (attending) to the features. Recent works have shown the strengths and weaknesses of the resulting GNN architectures, respectively, GCNs and GATs. In this work, we aim at exploiting the strengths of both approaches to their full extent. To this end, we first introduce the graph convolutional attention layer (CAT), which relies on convolutions to compute the attention scores. Unfortunately, as in the case of GCNs and GATs, we show that there exists no clear winner between the three—neither theoretically nor in practice—as their performance directly depends on the nature of the data (i.e., of the graph and features). This result brings us to the main contribution of our work, the learnable graph convolutional attention network (L-CAT): a GNN architecture that automatically interpolates between GCN, GAT and CAT in each layer, by adding only two scalar parameters. Our results demonstrate that L-CAT is able to efficiently combine different GNN layers along the network, outperforming competing methods in a wide range of datasets, and resulting in a more robust model that reduces the need of cross-validating.
Scaffolding a Student to Instill Knowledge
Authors: Anil Kag,Durmus Alp Emre Acar,Aditya Gangrade,Venkatesh Saligrama

We propose a novel knowledge distillation (KD) method to selectively instill teacher knowledge into a student model motivated by situations where the student's capacity is significantly smaller than that of the teachers. In vanilla KD, the teacher primarily sets a predictive target for the student to follow, and we posit that this target is overly optimistic due to the student's lack of capacity. We develop a novel scaffolding scheme where the teacher, in addition to setting a predictive target, also scaffolds the student's prediction by censoring hard-to-learn examples. Scaffolding utilizes the same information as the teacher's soft-max predictions as inputs, and in this sense, our proposal can be viewed as a natural variant of vanilla KD. We show on synthetic examples that censoring hard-examples leads to smoothening the student's loss landscape so that the student encounters fewer local minima. As a result, it has good generalization properties. Against vanilla KD, we achieve improved performance and are comparable to more intrusive techniques that leverage feature matching on benchmark datasets.
User-Interactive Offline Reinforcement Learning
Authors: Phillip Swazinna,Steffen Udluft,Thomas Runkler

Offline reinforcement learning algorithms still lack trust in practice due to the risk that the learned policy performs worse than the original policy that generated the dataset or behaves in an unexpected way that is unfamiliar to the user. At the same time, offline RL algorithms are not able to tune their most important hyperparameter - the proximity of the learned policy to the original policy. We propose an algorithm that allows the user to tune this hyperparameter at runtime, thereby addressing both of the above mentioned issues simultaneously. This allows users to start with the original behavior and grant successively greater deviation, as well as stopping at any time when the policy deteriorates or the behavior is too far from the familiar one.
SLTUNET: A Simple Unified Model for Sign Language Translation
Authors: Biao Zhang,Mathias Müller,Rico Sennrich

Despite recent successes with neural models for sign language translation (SLT), translation quality still lags behind spoken languages because of the data scarcity and modality gap between sign video and text. To address both problems, we investigate strategies for cross-modality representation sharing for SLT. We propose SLTUNET, a simple unified neural model designed to support multiple SLTrelated tasks jointly, such as sign-to-gloss, gloss-to-text and sign-to-text translation. Jointly modeling different tasks endows SLTUNET with the capability to explore the cross-task relatedness that could help narrow the modality gap. In addition, this allows us to leverage the knowledge from external resources, such as abundant parallel data used for spoken-language machine translation (MT). We show in experiments that SLTUNET achieves competitive and even state-of-the-art performance on PHOENIX-2014T and CSL-Daily when augmented with MT data and equipped with a set of optimization techniques. We further use the DGS Corpus for end-to-end SLT for the first time. It covers broader domains with a significantly larger vocabulary, which is more challenging and which we consider to allow for a more realistic assessment of the current state of SLT than the former two. Still, SLTUNET obtains improved results on the DGS Corpus. Code is available at https://github.com/bzhangGo/sltunet.
Understanding the Generalization of Adam in Learning Neural Networks with Proper Regularization
Authors: Difan Zou,Yuan Cao,Yuanzhi Li,Quanquan Gu

Adaptive gradient methods such as Adam have gained increasing popularity in deep learning optimization. However, it has been observed in many deep learning applications such as image classification, Adam can converge to a different solution with a worse test error compared to (stochastic) gradient descent, even with a fine-tuned regularization.  In this paper, we provide a theoretical explanation for this phenomenon: we show that in the nonconvex setting of learning over-parameterized two-layer convolutional neural networks starting from the same random initialization, for a class of data distributions (inspired from image data), Adam and gradient descent (GD) can converge to different global solutions of the training objective with provably different generalization errors, even with weight decay regularization. In contrast, we show that if the training objective is convex, and the weight decay regularization is employed, any optimization algorithms including Adam and GD will converge to the same solution if the training is successful. This suggests that the generalization gap between Adam and SGD in the presence of weight decay regularization is closely tied to the nonconvex landscape of deep learning optimization, which cannot be covered by the recent neural tangent kernel (NTK) based analysis.
A law of adversarial risk, interpolation, and label noise
Authors: Daniel Paleka,Amartya Sanyal

In supervised learning, it has been shown that label noise in the data can be interpolated without penalties on test accuracy.  We show that interpolating label noise induces adversarial vulnerability, and prove the first theorem showing the relationship between label noise and adversarial risk for any data distribution.  Our results are almost tight if we do not make any assumptions on the inductive bias of the learning algorithm. We then investigate how different components of this problem affect this result including properties of the distribution. We also discuss non-uniform label noise distributions; and prove a new theorem showing uniform label noise induces nearly as large an adversarial risk as the worst poisoning with the same noise rate.  Then, we provide theoretical and empirical evidence that uniform label noise is more harmful than typical real-world label noise.  Finally, we show how inductive biases amplify the effect of label noise and argue the need for future work in this direction.
Learning ReLU networks to high uniform accuracy is intractable
Authors: Julius Berner,Philipp Grohs,Felix Voigtlaender

Statistical learning theory provides bounds on the necessary number of training samples needed to reach a prescribed accuracy in a learning problem formulated over a given target class. This accuracy is typically measured in terms of a generalization error, that is, an expected value of a given loss function. However, for several applications --- for example in a security-critical context or for problems in the computational sciences --- accuracy in this sense is not sufficient. In such cases, one would like to have guarantees for high accuracy on every input value, that is, with respect to the uniform norm. In this paper we precisely quantify the number of training samples needed for any conceivable training algorithm to guarantee a given uniform accuracy on any learning problem formulated over target classes containing (or consisting of) ReLU neural networks of a prescribed architecture. We prove that, under very general assumptions, the minimal number of training samples for this task scales exponentially both in the depth and the input dimension of the network architecture.
Active Learning for Object Detection with Evidential Deep Learning and Hierarchical Uncertainty Aggregation
Authors: Younghyun Park,Wonjeong Choi,Soyeong Kim,Dong-Jun Han,Jaekyun Moon

Despite the huge success of object detection, the training process still requires an immense amount of labeled data. Although various active learning solutions for object detection have been proposed, most existing works do not take advantage of epistemic uncertainty, which is an important metric for capturing the usefulness of the sample. Also, previous works pay little attention to the attributes of each bounding box (e.g., nearest object, box size) when computing the informativeness of an image. In this paper, we propose a new active learning strategy for object detection that overcomes the shortcomings of prior works. To make use of epistemic uncertainty, we adopt evidential deep learning (EDL) and propose a new module termed model evidence head (MEH), that makes EDL highly compatible with object detection. Based on the computed epistemic uncertainty of each bounding box, we propose hierarchical uncertainty aggregation (HUA) for obtaining the informativeness of an image. HUA realigns all bounding boxes into multiple levels based on the attributes and aggregates uncertainties in a bottom-up order, to effectively capture the context within the image. Experimental results show that our method outperforms existing state-of-the-art methods by a considerable margin.
How Sharpness-Aware Minimization Minimizes Sharpness?
Authors: Kaiyue Wen,Tengyu Ma,Zhiyuan Li

Sharpness-Aware Minimization (SAM) is a highly effective regularization technique for improving the generalization of deep neural networks for various settings. However, the underlying working of SAM remains elusive because of various intriguing approximations in the theoretical characterizations. SAM intends to penalize a notion of sharpness of the model but implements a computationally efficient variant; moreover, a third notion of sharpness was used for proving generalization guarantees. The subtle differences in these notions of sharpness can indeed lead to significantly different empirical results. This paper rigorously nails down the exact sharpness notion that SAM regularizes and clarifies the underlying mechanism. We also show that the two steps of approximations in the original motivation of SAM individually lead to inaccurate local conclusions, but their combination accidentally reveals the correct effect, when full-batch gradients are applied. Furthermore, we also prove that the stochastic version of SAM in fact regularizes the third notion of sharpness mentioned above, which is most likely to be the preferred notion for practical performance. The key mechanism behind this intriguing phenomenon is  the alignment between the gradient and the top eigenvector of Hessian when SAM is applied.
The Implicit Bias of Minima Stability in Multivariate Shallow ReLU Networks
Authors: Mor Shpigel Nacson,Rotem Mulayoff,Greg Ongie,Tomer Michaeli,Daniel Soudry

We study the type of solutions to which stochastic gradient descent converges when used to train a single hidden-layer multivariate ReLU network with the quadratic loss. Our results are based on a dynamical stability analysis. In the univariate case, it was shown that linearly stable minima correspond to network functions (predictors), whose second derivative has a bounded weighted $L^1$ norm. Notably, the bound gets smaller as the step size increases, implying that training with a large step size leads to `smoother' predictors. Here we generalize this result to the multivariate case, showing that a similar result applies to the Laplacian of the predictor. We demonstrate the tightness of our bound on the MNIST dataset, and show that it accurately captures the behavior of the solutions as a function of the step size. Additionally, we prove a depth separation result on the approximation power of ReLU networks corresponding to stable minima of the loss. Specifically, although shallow ReLU networks are universal approximators, we prove that stable shallow networks are not. Namely, there is a function that cannot be well-approximated by stable single hidden-layer ReLU networks trained with a non-vanishing step size. This is while the same function can be realized as a stable two hidden-layer ReLU network. Finally, we prove that if a function is sufficiently smooth (in a Sobolev sense) then it can be approximated arbitrarily well using shallow ReLU networks that correspond to stable solutions of gradient descent.
MAST: Masked Augmentation Subspace Training for Generalizable Self-Supervised Priors
Authors: Chen Huang,Hanlin Goh,Jiatao Gu,Joshua M. Susskind

Recent Self-Supervised Learning (SSL) methods are able to learn feature representations that are invariant to different data augmentations, which can then be transferred to downstream tasks of interest. However, different downstream tasks require different invariances for their best performance, so the optimal choice of augmentations for SSL depends on the target task. In this paper, we aim to learn self-supervised features that generalize well across a variety of downstream tasks (e.g., object classification, detection and instance segmentation) without knowing any task information beforehand. We do so by Masked Augmentation Subspace Training (or MAST) to encode in the single feature space the priors from different data augmentations in a factorized way. Specifically, we disentangle the feature space into separate subspaces, each induced by a learnable mask that selects relevant feature dimensions to model invariance to a specific augmentation. We show the success of MAST in jointly capturing generalizable priors from different augmentations, using both unique and shared features across the subspaces. We further show that MAST benefits from uncertainty modeling to reweight ambiguous samples from strong augmentations that may cause similarity mismatch in each subspace. Experiments demonstrate that MAST consistently improves generalization on various downstream tasks, while being task-agnostic and efficient during SSL. We also provide interesting insights about how different augmentations are related and how uncertainty reflects learning difficulty.
Graph-based Deterministic Policy Gradient for Repetitive Combinatorial Optimization Problems
Authors: Zhongyuan Zhao,Ananthram Swami,Santiago Segarra

We propose an actor-critic framework for graph-based machine learning pipelines with non-differentiable blocks, and apply it to repetitive combinatorial optimization problems (COPs) under hard constraints. Repetitive COP refers to problems to be solved repeatedly on graphs of the same or slowly changing topology but rapidly changing node or edge weights. Compared to one-shot COPs, repetitive COPs often rely on fast heuristics to solve one instance of the problem before the next one arrives, at the cost of a relatively large optimality gap. Through numerical experiments on several discrete optimization problems, we show that our approach can learn reusable node or edge representations to reduce the optimality gap of fast heuristics for independent repetitive COPs, and can optimize the long-term objectives for repetitive COPs embedded in graph-based Markov decision processes. Source code at https://github.com/XzrTGMu/twin-nphard
Lower Bounds on the Depth of Integral ReLU Neural Networks via Lattice Polytopes
Authors: Christian Alexander Haase,Christoph Hertrich,Georg Loho

We prove that the set of functions representable by ReLU neural networks with integer weights strictly increases with the network depth while allowing arbitrary width. More precisely, we show that $\lceil\log_2(n)\rceil$ hidden layers are indeed necessary to compute the maximum of $n$ numbers, matching known upper bounds. Our results are based on the known duality between neural networks and Newton polytopes via tropical geometry. The integrality assumption implies that these Newton polytopes are lattice polytopes. Then, our depth lower bounds follow from a parity argument on the normalized volume of faces of such polytopes.