mtybilly/Instruct2DS huggingface dataset:
CUDA: Curriculum of Data Augmentation for Long-tailed Recognition
Authors: Sumyeong Ahn, Jongwoo Ko, Se-Young Yun
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Class imbalance problems frequently occur in real-world tasks, and conventional deep learning algorithms are well known for performance degradation on imbalanced training datasets. To mitigate this problem, many approaches have aimed to balance among given classes by re-weighting or re-sampling training samples. These re-balancing methods increase the impact of minority classes and reduce the influence of majority classes on the output of models. However, the extracted representations may be of poor quality owing to the limited number of minority samples. To handle this restriction, several methods have been developed that increase the representations of minority samples by leveraging the features of the majority samples. Despite extensive recent studies, no deep analysis has been conducted on determination of classes to be augmented and strength of augmentation has been conducted. In this study, we first investigate the correlation between the degree of augmentation and class-wise performance, and find that the proper degree of augmentation must be allocated for each class to mitigate class imbalance problems. Motivated by this finding, we propose a simple and efficient novel curriculum, which is designed to find the appropriate per-class strength of data augmentation, called CUDA: CUrriculum of Data Augmentation for long-tailed recognition. CUDA can simply be integrated into existing long-tailed recognition methods. We present the results of experiments showing that CUDA effectively achieves better generalization performance compared to the state-of-the-art method on various imbalanced datasets such as CIFAR-100-LT, ImageNet-LT, and iNaturalist 2018.
Sparse Mixture-of-Experts are Domain Generalizable Learners
Authors: Bo Li, Yifei Shen, Jingkang Yang, Yezhen Wang, Jiawei Ren, Tong Che, Jun Zhang, Ziwei Liu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Human visual perception can easily generalize to out-of-distributed visual data, which is far beyond the capability of modern machine learning models. Domain generalization (DG) aims to close this gap, with existing DG methods mainly focusing on the loss function design. In this paper, we propose to explore an orthogonal direction, i.e., the design of the backbone architecture. It is motivated by an empirical finding that transformer-based models trained with empirical risk minimization (ERM) outperform CNN-based models employing state-of-the-art (SOTA) DG algorithms on multiple DG datasets. We develop a formal framework to characterize a network's robustness to distribution shifts by studying its architecture's alignment with the correlations in the dataset. This analysis guides us to propose a novel DG model built upon vision transformers, namely \emph{Generalizable Mixture-of-Experts (GMoE)}. Extensive experiments on DomainBed demonstrate that GMoE trained with ERM outperforms SOTA DG baselines by a large margin. Moreover, GMoE is complementary to existing DG methods and its performance is substantially improved when trained with DG algorithms.
Human alignment of neural network representations
Authors: Lukas Muttenthaler, Jonas Dippel, Lorenz Linhardt, Robert A. Vandermeulen, Simon Kornblith
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Today’s computer vision models achieve human or near-human level performance across a wide variety of vision tasks. However, their architectures, data, and learning algorithms differ in numerous ways from those that give rise to human vision. In this paper, we investigate the factors that affect the alignment between the representations learned by neural networks and human mental representations inferred from behavioral responses. We find that model scale and architecture have essentially no effect on the alignment with human behavioral responses, whereas the training dataset and objective function both have a much larger impact. These findings are consistent across three datasets of human similarity judgments collected using two different tasks. Linear transformations of neural network representations learned from behavioral responses from one dataset substantially improve alignment with human similarity judgments on the other two datasets. In addition, we find that some human concepts such as food and animals are well-represented by neural networks whereas others such as royal or sports-related objects are not. Overall, although models trained on larger, more diverse datasets achieve better alignment with humans than models trained on ImageNet alone, our results indicate that scaling alone is unlikely to be sufficient to train neural networks with conceptual representations that match those used by humans.
Interpretability with full complexity by constraining feature information
Authors: Kieran A Murphy, Danielle Bassett
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Interpretability is a pressing issue for machine learning. Common approaches to interpretable machine learning constrain interactions between features of the input, sacrificing model complexity in order to render more comprehensible the effects of those features on the model's output. We approach interpretability from a new angle: constrain the information about the features without restricting the complexity of the model. We use the Distributed Information Bottleneck to optimally compress each feature so as to maximally preserve information about the output. The learned information allocation, by feature and by feature value, provides rich opportunities for interpretation, particularly in problems with many features and complex feature interactions. The central object of analysis is not a single trained model, but rather a spectrum of models serving as approximations that leverage variable amounts of information about the inputs. Information is allocated to features by their relevance to the output, thereby solving the problem of feature selection by constructing a learned continuum of feature inclusion-to-exclusion. The optimal compression of each feature---at every stage of approximation---allows fine-grained inspection of the distinctions among feature values that are most impactful for prediction. We develop a framework for extracting insight from the spectrum of approximate models and demonstrate its utility on a range of tabular datasets.
Simplicial Embeddings in Self-Supervised Learning and Downstream Classification
Authors: Samuel Lavoie, Christos Tsirigotis, Max Schwarzer, Ankit Vani, Michael Noukhovitch, Kenji Kawaguchi, Aaron Courville
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Simplicial Embeddings (SEM) are representations learned through self-supervised learning (SSL), wherein a representation is projected into $L$ simplices of $V$ dimensions each using a \texttt{softmax} operation. This procedure conditions the representation onto a constrained space during pretraining and imparts an inductive bias for group sparsity. For downstream classification, we formally prove that the SEM representation leads to better generalization than an unnormalized representation.
Furthermore, we empirically demonstrate that SSL methods trained with SEMs have improved generalization on natural image datasets such as CIFAR-100 and ImageNet. Finally, when used in a downstream classification task, we show that SEM features exhibit emergent semantic coherence where small groups of learned features are distinctly predictive of semantically-relevant classes.
Diversify and Disambiguate: Out-of-Distribution Robustness via Disagreement
Authors: Yoonho Lee, Huaxiu Yao, Chelsea Finn
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Real-world machine learning problems often exhibit shifts between the source and target distributions, in which source data does not fully convey the desired behavior on target inputs. Different functions that achieve near-perfect source accuracy can make differing predictions on test inputs, and such ambiguity makes robustness to distribution shifts challenging. We propose DivDis, a simple two-stage framework for identifying and resolving ambiguity in data. DivDis first learns a diverse set of hypotheses that achieve low source loss but make differing predictions on target inputs. We then disambiguate by selecting one of the discovered functions using additional information, for example, a small number of target labels. Our experimental evaluation shows improved performance in subpopulation shift and domain generalization settings, demonstrating that DivDis can scalably adapt to distribution shifts in image and text classification benchmarks.
Quantifying and Mitigating the Impact of Label Errors on Model Disparity Metrics
Authors: Julius Adebayo, Melissa Hall, Bowen Yu, Bobbie Chern
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Errors in labels obtained via human annotation adversely affect a trained model's performance. Existing approaches propose ways to mitigate the effect of label error on a model's downstream accuracy, yet little is known about its impact on a model's group-based disparity metrics\footnote{Group-based disparity metrics like subgroup calibration, false positive rate, false negative rate, equalized odds, and equal opportunity are more often known, colloquially, as \textit{fairness metrics} in the literature. We use the term group-based disparity metrics in this work.}. Here we study the effect of label error on a model's group-based disparity metrics like group calibration. We empirically characterize how varying levels of label error, in both training and test data, affect these disparity metrics. We find that group calibration and other metrics are sensitive to train-time and test-time label error---particularly for minority groups. For the same level of label error, the percentage change in group calibration error for the minority group is on average 1.5 times larger than the change for the majority group. Towards mitigating the impact of training-time label error, we present an approach to estimate how changing a single training input's label affects a model's group disparity metric on a test set. We empirically assess the proposed approach on a variety of datasets and find a 10-40\% improvement, compared to alternative approaches, in identifying training inputs that improve a model's disparity metric. The proposed approach can help surface training inputs that may need to be corrected for improving a model's group-based disparity metrics.
Solving Constrained Variational Inequalities via a First-order Interior Point-based Method
Authors: Tong Yang, Michael Jordan, Tatjana Chavdarova
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We develop an interior-point approach to solve constrained variational inequality (cVI) problems. Inspired by the efficacy of the alternating direction method of multipliers (ADMM) method in the single-objective context, we generalize ADMM to derive a first-order method for cVIs, that we refer to as ADMM-based interior-point method for constrained VIs (ACVI). We provide convergence guarantees for ACVI in two general classes of problems: (i) when the operator is $\xi$-monotone, and (ii) when it is monotone, some constraints are active and the game is not purely rotational. When the operator is in addition L-Lipschitz for the latter case, we match known lower bounds on rates for the gap function of $\mathcal{O}(1/\sqrt{K})$ and $\mathcal{O}(1/K)$ for the last and average iterate, respectively. To the best of our knowledge, this is the first presentation of a first-order interior-point method for the general cVI problem that has a global convergence guarantee. Moreover, unlike previous work in this setting, ACVI provides a means to solve cVIs when the constraints are nontrivial. Empirical analyses demonstrate clear advantages of ACVI over common first-order methods. In particular, (i) cyclical behavior is notably reduced as our methods approach the solution from the analytic center, and (ii) unlike projection-based methods that zigzag when near a constraint, ACVI efficiently handles the constraints.
$\mathrm{SE}(3)$-Equivariant Attention Networks for Shape Reconstruction in Function Space
Authors: Evangelos Chatzipantazis, Stefanos Pertigkiozoglou, Edgar Dobriban, Kostas Daniilidis
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We propose a method for 3D shape reconstruction from unoriented point clouds. Our method consists of a novel SE(3)-equivariant coordinate-based network (TF-ONet), that parametrizes the occupancy field of the shape and respects the inherent symmetries of the problem. In contrast to previous shape reconstruction methods that align the input to a regular grid, we operate directly on the irregular point cloud. Our architecture leverages equivariant attention layers that operate on local tokens. This mechanism enables local shape modelling, a crucial property for scalability to large scenes. Given an unoriented, sparse, noisy point cloud as input, we produce equivariant features for each point. These serve as keys and values for the subsequent equivariant cross-attention blocks that parametrize the occupancy field. By querying an arbitrary point in space, we predict its occupancy score. We show that our method outperforms previous SO(3)-equivariant methods, as well as non-equivariant methods trained on SO(3)-augmented datasets. More importantly, local modelling together with SE(3)-equivariance create an ideal setting for SE(3) scene reconstruction. We show that by training only on single, aligned objects and without any pre-segmentation, we can reconstruct novel scenes containing arbitrarily many objects in random poses without any performance loss.
Efficient Discrete Multi Marginal Optimal Transport Regularization
Authors: Ronak Mehta, Jeffery Kline, Vishnu Suresh Lokhande, Glenn Fung, Vikas Singh
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Optimal transport has emerged as a powerful tool for a variety of problems in machine learning, and it is frequently used to enforce distributional constraints. In this context, existing methods often use either a Wasserstein metric, or else they apply concurrent barycenter approaches when more than two distributions are considered. In this paper, we  leverage multi-marginal optimal transport (MMOT), where we take advantage of a procedure that computes a generalized earth mover's distance as a sub-routine. We show that not only is our algorithm computationally more efficient compared to other barycentric-based distance methods, but it has the additional advantage that gradients used for backpropagation can be efficiently computed during the forward pass computation itself, which leads to substantially faster model training. We provide technical details about this new regularization term and its properties, and we present experimental demonstrations of faster runtimes when compared to standard Wasserstein-style methods. Finally, on a range of experiments designed to assess effectiveness at enforcing fairness, we demonstrate our method compares well with alternatives.
Federated Nearest Neighbor Machine Translation
Authors: Yichao Du, Zhirui Zhang, Bingzhe Wu, Lemao Liu, Tong Xu, Enhong Chen
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: To protect user privacy and meet legal regulations, federated learning (FL) is attracting significant attention. Training neural machine translation (NMT) models with traditional FL algorithm (e.g., FedAvg) typically relies on multi-round model-based interactions. However, it is impractical and inefficient for machine translation tasks due to the vast communication overheads and heavy synchronization. In this paper, we propose a novel federated nearest neighbor (FedNN) machine translation framework that, instead of multi-round model-based interactions, leverages one-round memorization-based interaction to share knowledge across different clients to build low-overhead privacy-preserving systems. The whole approach equips the public NMT model trained on large-scale accessible data with a $k$-nearest-neighbor ($k$NN) classifier and integrates the external datastore constructed by private text data in all clients to form the final FL model.  A two-phase datastore encryption strategy is introduced to achieve privacy-preserving during this process.  Extensive experiments show that FedNN significantly reduces computational and communication costs compared with FedAvg, while maintaining promising performance in different FL settings.
Causal Confusion and Reward Misidentification in Preference-Based Reward Learning
Authors: Jeremy Tien, Jerry Zhi-Yang He, Zackory Erickson, Anca Dragan, Daniel S. Brown
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Learning policies via preference-based reward learning is an increasingly popular method for customizing agent behavior, but has been shown anecdotally to be prone to spurious correlations and reward hacking behaviors. While much prior work focuses on causal confusion in reinforcement learning and behavioral cloning, we focus on a systematic study of causal confusion and reward misidentification when learning from preferences. In particular, we perform a series of sensitivity and ablation analyses on several benchmark domains where rewards learned from preferences achieve minimal test error but fail to generalize to out-of-distribution states---resulting in poor policy performance when optimized. We find that the presence of non-causal distractor features, noise in the stated preferences, and partial state observability can all exacerbate reward misidentification. We also identify a set of methods with which to interpret misidentified learned rewards. In general, we observe that optimizing misidentified rewards drives the policy off the reward's training distribution, resulting in high predicted (learned) rewards but low true rewards. These findings illuminate the susceptibility of preference learning to reward misidentification and causal confusion---failure to consider even one of many factors can result in unexpected, undesirable behavior.
MaskFusion: Feature Augmentation for Click-Through Rate Prediction via Input-adaptive Mask Fusion
Authors: Chao Liao, Jianchao Tan, Jiyuan Jia, Yi Guo, Chengru Song
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Click-through rate (CTR) prediction plays important role in the advertisement, recommendation, and retrieval applications. Given the feature set, how to fully utilize the information from the feature set is an active topic in deep CTR model designs. There are several existing deep CTR works focusing on feature interactions, feature attentions, and so on. They attempt to capture high-order feature interactions to enhance the generalization ability of deep CTR models. However, these works either suffer from poor high-order feature interaction modeling using DNN or ignore the balance between generalization and memorization during the recommendation. To mitigate these problems, we propose an adaptive feature fusion framework called MaskFusion, to additionally capture the explicit interactions between the input feature and the existing deep part structure of deep CTR models dynamically, besides the common feature interactions proposed in existing works.  MaskFusion is an instance-aware feature augmentation method, which makes deep CTR models more personalized by assigning each feature with an instance-adaptive mask and fusing each feature with each hidden state vector in the deep part structure. MaskFusion can also be integrated into any existing deep CTR models flexibly. MaskFusion achieves state-of-the-art (SOTA) performance on all seven benchmarks deep CTR models with three public datasets.
Coverage-centric Coreset Selection for High Pruning Rates
Authors: Haizhong Zheng, Rui Liu, Fan Lai, Atul Prakash
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: One-shot coreset selection aims to select a representative subset of the training data, given a pruning rate, that can later be used to train future models while retaining high accuracy. State-of-the-art coreset selection methods pick the highest importance examples based on an importance metric and are found to perform well at low pruning rates.  However, at high pruning rates, they suffer from a catastrophic accuracy drop, performing worse than even random sampling. This paper explores the reasons behind this accuracy drop both theoretically and empirically. We first propose a novel metric to measure the coverage of a dataset on a specific distribution by extending the classical geometric set cover problem to a distribution cover problem. This metric helps explain why coresets selected by SOTA methods at high pruning rates perform poorly compared to random sampling because of worse data coverage. We then propose a novel one-shot coreset selection method, Coverage-centric Coreset Selection (CCS), that jointly considers overall data coverage upon a distribution as well as the importance of each example. We evaluate CCS on five datasets and show that, at high pruning rates (e.g., 90%), it achieves significantly better accuracy than previous SOTA methods (e.g., at least 19.56% higher on CIFAR10) as well as random selection (e.g., 7.04% higher on CIFAR10) and comparable accuracy at low pruning rates.  We make our code publicly available at https://github.com/haizhongzheng/Coverage-centric-coreset-selection.
Neuromechanical Autoencoders: Learning to Couple Elastic and Neural Network Nonlinearity
Authors: Deniz Oktay, Mehran Mirramezani, Eder Medina, Ryan P Adams
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Intelligent biological systems are characterized by their embodiment in a complex environment and the intimate interplay between their nervous systems and the nonlinear mechanical properties of their bodies. This coordination, in which the dynamics of the motor system co-evolved to reduce the computational burden on the brain, is referred to as "mechanical intelligence" or "morphological computation". In this work, we seek to develop machine learning analogs of this process, in which we jointly learn the morphology of complex nonlinear elastic solids along with a deep neural network to control it. By using a specialized differentiable simulator of elastic mechanics coupled to conventional deep learning architectures---which we refer to as neuromechanical autoencoders---we are able to learn to perform morphological computation via gradient descent. Key to our approach is the use of mechanical metamaterials---cellular solids, in particular---as the morphological substrate. Just as deep neural networks provide flexible and massively-parametric function approximators for perceptual and control tasks, cellular solid metamaterials are promising as a rich and learnable space for approximating a variety of actuation tasks. In this work we take advantage of these complementary computational concepts to co-design materials and neural network controls to achieve nonintuitive mechanical behavior. We demonstrate in simulation how it is possible to achieve translation, rotation, and shape matching, as well as a "digital MNIST" task. We additionally manufacture and evaluate one of the designs to verify its real-world behavior.
Effective passive membership inference attacks in federated learning against overparameterized models
Authors: Jiacheng Li, Ninghui Li, Bruno Ribeiro
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: This work considers the challenge of performing membership inference attacks in a federated learning setting ---for image classification--- where an adversary can only observe the communication between the central node and a single client (a passive white-box attack). Passive attacks are one of the hardest-to-detect attacks, since they can be performed without modifying how the behavior of the central server or its clients, and assumes *no access to private data instances*. The key insight of our method is empirically observing that, near parameters that generalize well in test, the gradient of large overparameterized neural network models statistically behave like high-dimensional independent isotropic random vectors.  Using this insight, we devise two attacks that are often little impacted by existing and proposed defenses. Finally, we validated the hypothesis that our attack depends on the overparametrization by showing that increasing the level of overparametrization (without changing the neural network architecture) positively correlates with our attack effectiveness.
Task Ambiguity in Humans and Language Models
Authors: Alex Tamkin, Kunal Handa, Avash Shrestha, Noah Goodman
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Language models have recently achieved strong performance across a wide range of NLP benchmarks. However, real world tasks are often poorly specified, and agents must deduce the intended behavior from a combination of context, instructions, and examples. We investigate how both humans and models behave in the face of such task ambiguity by proposing AmbiBench, a new benchmark of six ambiguously-specified classification tasks. We evaluate humans and models on AmbiBench by seeing how well they identify the intended task using 1) instructions with varying degrees of ambiguity, and 2) different numbers of labeled examples. We find that the combination of model scaling (to 175B parameters) and reinforcement learning from human feedback (RLHF) enables models to approach or exceed the accuracy of human participants across tasks, but that either one of these alone is not sufficient. In addition, we show how to dramatically improve the accuracy of language models trained without RLHF by finetuning on a small number of ambiguous in-context examples, providing a promising direction for teaching models to generalize well in the face of ambiguity.
Revocable Deep Reinforcement Learning with Affinity Regularization for Outlier-Robust Graph Matching
Authors: Chang Liu, Zetian Jiang, Runzhong Wang, Lingxiao Huang, Pinyan Lu, Junchi Yan
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Graph matching (GM) has been a building block in various areas including computer vision and pattern recognition. Despite recent impressive progress, existing deep GM methods often have obvious difficulty in handling outliers, which are ubiquitous in practice. We propose a deep reinforcement learning based approach RGM, whose sequential node matching scheme naturally fits the strategy for selective inlier matching against outliers. A revocable action framework is devised to improve the agent's flexibility against the complex constrained GM. Moreover, we propose a quadratic approximation technique to regularize the affinity score, in the presence of outliers. As such, the agent can finish inlier matching timely when the affinity score stops growing, for which otherwise an additional parameter i.e. the number of inliers is needed to avoid matching outliers. In this paper, we focus on learning the back-end solver under the most general form of GM: the Lawler's QAP, whose input is the affinity matrix. Especially, our approach can also boost existing GM methods that use such input. Experiments on multiple real-world datasets demonstrate its performance regarding both accuracy and robustness.
Provably Efficient Lifelong Reinforcement Learning with Linear Representation
Authors: Sanae Amani, Lin Yang, Ching-An Cheng
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We theoretically study lifelong reinforcement learning (RL) with linear representation in a regret minimization setting. The goal of the agent is to learn a multi-task policy based on a linear representation while solving a sequence of tasks that may be adaptively chosen based on the agent's past behaviors. We frame the problem as a linearly parameterized contextual Markov decision process (MDP), where each task is specified by a context and the transition dynamics is context-independent, and we introduce a new completeness-style assumption on the representation which is sufficient to ensure the optimal multi-task policy is realizable under the linear representation. Under this assumption, we propose an algorithm, called UCB Lifelong Value Distillation (UCBlvd), that provably achieves sublinear regret for any sequence of tasks while using only sublinear planning calls. Specifically, for $K$ task episodes of horizon $H$, our algorithm has a regret bound $\tilde{\mathcal{O}}(\sqrt{(d^3+d^\prime d)H^4K})$ using $\mathcal{O}(dH\log(K))$ number of planning calls, where $d$ and $d^\prime$ are the feature dimensions of the dynamics and rewards, respectively. This theoretical guarantee implies that our algorithm can enable a lifelong learning agent to learn to internalize experiences into a multi-task policy and rapidly solve new tasks.
Learning to Segment from Noisy Annotations: A Spatial Correction Approach
Authors: Jiachen Yao, Yikai Zhang, Songzhu Zheng, Mayank Goswami, Prateek Prasanna, Chao Chen
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: 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.
Direct Embedding of Temporal Network Edges via Time-Decayed Line Graphs
Authors: Sudhanshu Chanpuriya, Ryan A. Rossi, Sungchul Kim, Tong Yu, Jane Hoffswell, Nedim Lipka, Shunan Guo, Cameron N Musco
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Temporal networks model a variety of important phenomena involving timed interactions between entities. Existing methods for machine learning on temporal networks generally exhibit at least one of two limitations. First, many methods assume time to be discretized, so if the time data is continuous, the user must determine the discretization and discard precise time information. Second, edge representations can only be calculated indirectly from the nodes, which may be suboptimal for tasks like edge classification. We present a simple method that avoids both shortcomings: construct the line graph of the network, which includes a node for each interaction, and weigh the edges of this graph based on the difference in time between interactions. From this derived graph, edge representations for the original network can be computed with efficient classical methods. The simplicity of this approach facilitates explicit theoretical analysis: we can constructively show the effectiveness of our method's representations for a natural synthetic model of temporal networks. Empirical results on real-world networks demonstrate our method's efficacy and efficiency on both link classification and prediction.
De Novo Molecular Generation via Connection-aware Motif Mining
Authors: Zijie Geng, Shufang Xie, Yingce Xia, Lijun Wu, Tao Qin, Jie Wang, Yongdong Zhang, Feng Wu, Tie-Yan Liu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: De novo molecular generation is an essential task for science discovery. Recently, fragment-based deep generative models have attracted much research attention due to their flexibility in generating novel molecules based on existing molecule fragments. However, the motif vocabulary, i.e., the collection of frequent fragments, is usually built upon heuristic rules, which brings difficulties to capturing common substructures from large amounts of molecules. In this work, we propose MiCaM to generate molecules based on mined connection-aware motifs. Specifically, it leverages a data-driven algorithm to automatically discover motifs from a molecule library by iteratively merging subgraphs based on their frequency. The obtained motif vocabulary consists of not only molecular motifs (i.e., the frequent fragments), but also their connection information, indicating how the motifs are connected with each other. Based on the mined connection-aware motifs, MiCaM builds a connection-aware generator, which simultaneously picks up motifs and determines how they are connected. We test our method on distribution-learning benchmarks (i.e., generating novel molecules to resemble the distribution of a given training set) and goal-directed benchmarks (i.e., generating molecules with target properties), and achieve significant improvements over previous fragment-based baselines. Furthermore, we demonstrate that our method can effectively mine domain-specific motifs for different tasks.
Meta Temporal Point Processes
Authors: Wonho Bae, Mohamed Osama Ahmed, Frederick Tung, Gabriel L. Oliveira
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: A temporal point process (TPP) is a stochastic process where its realization is a sequence of discrete events in time. Recent work in TPPs model the process using a neural network in a supervised learning framework, where a training set is a collection of all the sequences. In this work, we propose to train TPPs in a meta learning framework, where each sequence is treated as a different task, via a novel framing of TPPs as neural processes (NPs). We introduce context sets to model TPPs as an instantiation of NPs. Motivated by attentive NP, we also introduce local history matching to help learn more informative features. We demonstrate the potential of the proposed method on popular public benchmark datasets and tasks, and compare with state-of-the-art TPP methods.
Fake It Until You Make It : Towards Accurate Near-Distribution Novelty Detection
Authors: Hossein Mirzaei, Mohammadreza Salehi, Sajjad Shahabi, Efstratios Gavves, Cees G. M. Snoek, Mohammad Sabokrou, Mohammad Hossein Rohban
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We aim for image-based novelty detection. Despite considerable progress, existing models either fail or face dramatic drop under the so-called ``near-distribution" setup, where the differences between normal and anomalous samples are subtle. We first demonstrate existing methods could experience up to 20\% decrease in their AUCs in the near-distribution setting. Next, we propose to exploit a score-based generative model to produce synthetic near-distribution anomalous data. Our model is then fine-tuned to distinguish such data from the normal samples. We make quantitative as well as qualitative evaluation of this strategy, and compare the results with a variety of GAN-based models.  Effectiveness of our method for both near-distribution and standard novelty detection is assessed through extensive experiments on datasets in diverse applications such as medical images, object classification, and quality control. This reveals that our method significantly improves upon existing models, and consistently decreases the gap between the near-distribution and standard novelty detection AUCs by a considerable amount.
Ensuring DNN Solution Feasibility for Optimization Problems with Linear Constraints
Authors: Tianyu Zhao, Xiang Pan, Minghua Chen, Steven Low
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We propose preventive learning as the first framework to guarantee Deep Neural Network (DNN) solution feasibility for optimization problems with linear constraints without post-processing, upon satisfying a mild condition on constraint calibration. Without loss of generality, we focus on problems with only inequality constraints. We systematically calibrate the inequality constraints used in training, thereby anticipating DNN prediction errors and ensuring the obtained solutions remain feasible. We characterize the calibration rate and a critical DNN size, based on which we can directly construct a DNN with provable solution feasibility guarantee. We further propose an Adversarial-Sample Aware training algorithm to improve its optimality performance. We apply the framework to develop DeepOPF+ for solving essential DC optimal power flow problems in grid operation. Simulation results over IEEE test cases show that it outperforms existing strong DNN baselines in ensuring 100\% feasibility and attaining consistent optimality loss (<0.19%) and speedup (up to x228) in both light-load and heavy-load regimes, as compared to a state-of-the-art solver. We also apply our framework to a non-convex problem and show its performance advantage over existing schemes.
CO3: Cooperative Unsupervised 3D Representation Learning for Autonomous Driving
Authors: Runjian Chen, Yao Mu, Runsen Xu, Wenqi Shao, Chenhan Jiang, Hang Xu, Yu Qiao, Zhenguo Li, Ping Luo
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Unsupervised contrastive learning for indoor-scene point clouds has achieved great successes. However, unsupervised representation learning on outdoor-scene point clouds remains challenging because previous methods need to reconstruct the whole scene and capture partial views for the contrastive objective. This is infeasible in outdoor scenes with moving objects, obstacles, and sensors. In this paper, we propose CO3, namely {Co}operative {Co}ntrastive Learning and {Co}ntextual Shape Prediction, to learn 3D representation for outdoor-scene point clouds in an unsupervised manner. CO3 has several merits compared to existing methods. (1) It utilizes LiDAR point clouds from vehicle-side and infrastructure-side to build views that differ enough but meanwhile maintain common semantic information for contrastive learning, which are more appropriate than views built by previous methods. (2) Alongside the contrastive objective, we propose contextual shape prediction to bring more task-relevant information for unsupervised 3D point cloud representation learning and we also provide a theoretical analysis for this pre-training goal. (3) As compared to previous methods, representation learned by CO3 is able to be transferred to different outdoor scene dataset collected by different type of LiDAR sensors. (4) CO3 improves current state-of-the-art methods on Once, KITTI and NuScenes datasets by up to 2.58 mAP in 3D object detection task and 3.54 mIoU in LiDAR semantic segmentation task. Codes and models will be released.
DENSE RGB SLAM WITH NEURAL IMPLICIT MAPS
Authors: Heng Li, Xiaodong Gu, Weihao Yuan, luwei yang, Zilong Dong, Ping Tan
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: There is an emerging trend of using neural implicit functions for map representation in Simultaneous Localization and Mapping (SLAM). Some pioneer works have achieved encouraging results on RGB-D SLAM. In this paper, we present a dense RGB SLAM method with neural implicit map representation. To reach this challenging goal without depth input, we introduce a hierarchical feature volume to facilitate the implicit map decoder. This design effectively fuses shape cues across different scales to facilitate map reconstruction. Our method simultaneously solves the camera motion and the neural implicit map by matching the rendered and input video frames. To facilitate optimization, we further propose a photometric warping loss in the spirit of multi-view stereo to better constrain the camera pose and scene geometry. We evaluate our method on commonly used benchmarks and compare it with modern RGB and RGB-D SLAM systems. Our method achieves favorable results than previous methods and even surpasses some recent RGB-D SLAM methods.The code is at poptree.github.io/DIM-SLAM/.
Achieving Near-Optimal Individual Regret & Low Communications in Multi-Agent Bandits
Authors: Xuchuang Wang, Lin Yang, Yu-Zhen Janice Chen, Xutong Liu, Mohammad Hajiesmaili, Don Towsley, John C.S. Lui
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Cooperative multi-agent multi-armed bandits (CM2AB) study how distributed agents cooperatively play the same multi-armed bandit game. Most existing CM2AB works focused on maximizing the group performance of all agents---the accumulation of all agents' individual performance (i.e., individual reward). However, in many applications, the performance of the system is more sensitive to the ``bad'' agent---the agent with the worst individual performance. For example, in a drone swarm, a ``bad'' agent may crash into other drones and severely degrade the system performance. In that case, the key of the learning algorithm design is to coordinate computational and communicational resources among agents so to optimize the individual learning performance of the ``bad'' agent. In CM2AB, maximizing the group performance is equivalent to minimizing the group regret of all agents, and minimizing the individual performance can be measured by minimizing the maximum (worst) individual regret among agents. Minimizing the maximum individual regret was largely ignored in prior literature, and currently, there is little work on how to minimize this objective with a low communication overhead. In this paper, we propose a near-optimal algorithm on both individual and group regrets, in addition,  we also propose a novel communication module in the algorithm, which only needs \(O(\log (\log T))\) communication times where \(T\) is the number of decision rounds. We also conduct simulations to illustrate the advantage of our algorithm by comparing it to other known baselines.
Contrastive Audio-Visual Masked Autoencoder
Authors: Yuan Gong, Andrew Rouditchenko, Alexander H. Liu, David Harwath, Leonid Karlinsky, Hilde Kuehne, James R. Glass
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: In this paper, we first extend the recent Masked Auto-Encoder (MAE) model from a single modality to audio-visual multi-modalities. Subsequently, we propose the Contrastive Audio-Visual Masked Auto-Encoder (CAV-MAE) by combining contrastive learning and masked data modeling, two major self-supervised learning frameworks, to learn a joint and coordinated audio-visual representation.
Our experiments show that the contrastive audio-visual correspondence learning objective not only enables the model to perform audio-visual retrieval tasks, but also helps the model learn a better joint representation. As a result, our fully self-supervised pretrained CAV-MAE achieves a new SOTA accuracy of 65.9% on VGGSound, and is comparable with the previous best supervised pretrained model on AudioSet in the audio-visual event classification task. Code and pretrained models are at https://github.com/yuangongnd/cav-mae.
Heterogeneous Neuronal and Synaptic Dynamics for Spike-Efficient Unsupervised Learning: Theory and Design Principles
Authors: Biswadeep Chakraborty, Saibal Mukhopadhyay
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: This paper shows that the heterogeneity in neuronal and synaptic dynamics reduces the spiking activity of a Recurrent Spiking Neural Network (RSNN) while improving prediction performance, enabling spike-efficient (unsupervised) learning.
We analytically show that the diversity in neurons' integration/relaxation dynamics improves an RSNN's ability to learn more distinct input patterns (higher memory capacity), leading to improved classification and prediction performance. We further prove that heterogeneous Spike-Timing-Dependent-Plasticity (STDP) dynamics of synapses reduce spiking activity but preserve memory capacity. The analytical results motivate Heterogeneous RSNN design using Bayesian optimization to determine heterogeneity in neurons and synapses to improve $\mathcal{E}$, defined as the ratio of spiking activity and memory capacity. The empirical results on time series classification and prediction tasks show that optimized HRSNN increases performance and reduces spiking activity compared to a homogeneous RSNN.
Iterative Patch Selection for High-Resolution Image Recognition
Authors: Benjamin Bergner, Christoph Lippert, Aravindh Mahendran
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: High-resolution images are prevalent in various applications, such as autonomous driving and computer-aided diagnosis. However, training neural networks on such images is computationally challenging and easily leads to out-of-memory errors even on modern GPUs. We propose a simple method, Iterative Patch Selection (IPS), which decouples the memory usage from the input size and thus enables the processing of arbitrarily large images under tight hardware constraints. IPS achieves this by selecting only the most salient patches, which are then aggregated into a global representation for image recognition. For both patch selection and aggregation, a cross-attention based transformer is introduced, which exhibits a close connection to Multiple Instance Learning. Our method demonstrates strong performance and has wide applicability across different domains, training regimes and image sizes while using minimal accelerator memory. For example, we are able to finetune our model on whole-slide images consisting of up to 250k patches (>16 gigapixels) with only 5 GB of GPU VRAM at a batch size of 16.
Loss Landscapes are All You Need: Neural Network Generalization Can Be Explained Without the Implicit Bias of Gradient Descent
Authors: Ping-yeh Chiang, Renkun Ni, David Yu Miller, Arpit Bansal, Jonas Geiping, Micah Goldblum, Tom Goldstein
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: It is commonly believed that the implicit regularization of optimizers is needed for neural networks to generalize in the overparameterized regime. In this paper, we observe experimentally that this implicit regularization behavior is {\em generic}, i.e. it does not depend strongly on the choice of optimizer. We demonstrate this by training neural networks using several gradient-free optimizers, which do not benefit from properties that are often attributed to gradient-based optimizers.   This includes a guess-and-check optimizer that generates uniformly random parameter vectors until finding one that happens to achieve perfect train accuracy, and a zeroth-order Pattern Search optimizer that uses no gradient computations. In the low sample and few-shot regimes, where zeroth order optimizers are most computationally tractable, we find that these non-gradient optimizers achieve test accuracy comparable to SGD. The code to reproduce results can be found at https://github.com/Ping-C/optimizer .