mtybilly/Instruct2DS huggingface dataset:
Pushing the Accuracy-Group Robustness Frontier with Introspective Self-play
Authors: Krishnamurthy Dj Dvijotham, Jihyeon Lee, Quan Yuan, Balaji Lakshminarayanan, Deepak Ramachandran Jeremiah Zhe Liu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Standard empirical risk minimization (ERM) training can produce deep neural network (DNN) models that are accurate on average but under-perform in under-represented population subgroups, especially when there are imbalanced group distributions in the long-tailed training data. Therefore, approaches that improve the accuracy - group robustness trade-off frontier of a DNN model (i.e. improving worst-group accuracy without sacrificing average accuracy, or vice versa) is of crucial importance.   Uncertainty-based active learning (AL) can potentially improve the frontier by preferentially sampling underrepresented subgroups to create a more balanced training dataset.  However, the quality of uncertainty estimates from modern DNNs tend to degrade in the presence of spurious correlations and dataset bias, compromising the effectiveness of AL for sampling tail groups. In this work, we propose Introspective Self-play (ISP), a simple approach to improve the uncertainty estimation of a deep neural network under dataset bias, by adding an auxiliary introspection task requiring a model to predict the bias for each data point in addition to the label. We show that ISP provably improves the bias-awareness of the model representation and the resulting uncertainty estimates. On two real-world tabular and language tasks,ISP serves as a simple “plug-in” for AL model training, consistently improving both the tail-group sampling rate and the final accuracy-fairness trade-off frontier of popular AL methods.
Active Learning for Object Detection with Evidential Deep Learning and Hierarchical Uncertainty Aggregation
Authors: Wonjeong Choi, Soyeong Kim, Dong-Jun Han, Jaekyun Moon Younghyun Park
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: 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.
Mass-Editing Memory in a Transformer
Authors: Arnab Sen Sharma, Alex J Andonian, Yonatan Belinkov, David Bau Kevin Meng
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Recent work has shown exciting promise in updating large language models with new memories, so as to replace obsolete information or add specialized knowledge. However, this line of work is predominantly limited to updating single associations. We develop MEMIT, a method for directly updating a language model with many memories, demonstrating experimentally that it can scale up to thousands of associations for GPT-J (6B) and GPT-NeoX (20B), exceeding prior work by an order of magnitude. Our code and data will be open-sourced upon publication.
What Is Missing in IRM Training and Evaluation? Challenges and Solutions
Authors: Pranay Sharma, Parikshit Ram, Mingyi Hong, Kush R. Varshney, Sijia Liu Yihua Zhang
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Invariant risk minimization (IRM) has received increasing attention as a way to acquire environment-agnostic data representations and predictions, and also a principled solution for preventing spurious correlations from being learned and improving models’ out-of-distribution generalization. Yet, recent works have found that the optimality of the originally-proposed IRM optimization (IRMV1) may be compromised in practice or could be impossible to achieve in some scenarios. Therefore, a series of advanced IRM algorithms have been developed that show practical improvement over IRMV1. In this work, we revisit these recent IRM advancements and identify and resolve three practical limitations in IRM training and evaluation. First, we find that the effect of batch size during training has been chronically overlooked in previous studies, leaving room for further improvement. We propose small-batch training and highlight the improvements over a set of large-batch optimization techniques. Second, we find that improper selection of evaluation environments could give a false sense of invariance for IRM. To alleviate this effect, we leverage diversified test-time environments to precisely characterize the invariance of IRM when applied in practice. Third, we revisit Ahuja et al. (2020)’s proposal to convert IRM into an ensemble game and identify a limitation when a single invariant predictor is desired instead of an ensemble of individual predictors. We propose a new IRM variant to address this limitation based on a novel viewpoint of ensemble IRM games as consensus-constrained bi-level optimization. Lastly, we conduct extensive experiments (covering 7 existing IRM variants and 7 datasets) to justify the practical significance of revisiting IRM training and evaluation in a principled manner.
UNICORN: A Unified Backdoor Trigger Inversion Framework
Authors: Kai Mei, Juan Zhai, Shiqing Ma Zhenting Wang
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: The backdoor attack, where the adversary uses inputs stamped with triggers (e.g., a patch) to activate pre-planted malicious behaviors, is a severe threat to Deep Neural Network (DNN) models. Trigger inversion is an effective way of identifying backdoor models and understanding embedded adversarial behaviors. A challenge of trigger inversion is that there are many ways of constructing the trigger. Existing methods cannot generalize to various types of triggers by making certain assumptions or attack-specific constraints. The fundamental reason is that existing work does not formally define the trigger and the inversion problem. This work formally defines and analyzes the trigger and the inversion problem. Then, it proposes a unified framework to invert backdoor triggers based on the formalization of triggers and the identified inner behaviors of backdoor models from our analysis. Our prototype UNICORN is general and effective in inverting backdoor triggers in DNNs. The code can be found at https://github.com/RU-System-Software-and-Security/UNICORN.
Optimal Transport for Offline Imitation Learning
Authors: zhengyao jiang, Samuel Cohen, Edward Grefenstette, Marc Peter Deisenroth Yicheng Luo
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: With the advent of large datasets, offline reinforcement learning is a promising framework for learning good decision-making policies without the need to interact with the real environment.
However, offline RL requires the dataset to be reward-annotated, which presents practical challenges when reward engineering is difficult or when obtaining reward annotations is labor-intensive.
In this paper, we introduce Optimal Transport Relabeling (OTR), an imitation learning algorithm that can automatically relabel offline data of mixed and unknown quality with rewards from a few good demonstrations. OTR's key idea is to use optimal transport to compute an optimal alignment between an unlabeled trajectory in the dataset and an expert demonstration to obtain a similarity measure that can be interpreted as a reward, which can then be used by an offline RL algorithm to learn the policy. OTR is easy to implement and computationally efficient. On D4RL benchmarks, we demonstrate that OTR with a single demonstration can consistently match the performance of offline RL with ground-truth rewards.
SpeedyZero: Mastering Atari with Limited Data and Time
Authors: Jiaxuan Gao, Weirui Ye, Shaohuai Liu, Yang Gao, Yi Wu Yixuan Mei
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Many recent breakthroughs of deep reinforcement learning (RL) are mainly built upon large-scale distributed training of model-free methods using millions to billions of samples. On the other hand, state-of-the-art model-based RL methods can achieve human-level sample efficiency but often take a much longer over all training time than model-free methods. However, high sample efficiency and fast training time are both important to many real-world applications. We develop SpeedyZero, a distributed RL system built upon a state-of-the-art model-based RL method, EfficientZero, with a dedicated system design for fast distributed computation. We also develop two novel algorithmic techniques, Priority Refresh and Clipped LARS, to stabilize training with massive parallelization and large batch size. SpeedyZero maintains on-par sample efficiency compared with EfficientZero while achieving a 14.5X speedup in wall-clock time, leading to human-level performances on the Atari benchmark within 35 minutes using only 300k samples. In addition, we also present an in-depth analysis on the fundamental challenges in further scaling our system to bring insights to the community.
Real-time variational method for learning neural trajectory and its dynamics
Authors: Yuan Zhao, Il Memming Park Matthew Dowling
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Latent variable models have become instrumental in computational neuroscience for reasoning about neural computation.  This has fostered the development of powerful offline algorithms for extracting latent neural trajectories from neural recordings.  However, despite the potential of real-time alternatives to give immediate feedback to experimentalists, and enhance experimental design, they have received markedly less attention.  In this work, we introduce the exponential family variational Kalman filter (eVKF), an online recursive Bayesian method aimed at inferring latent trajectories while simultaneously learning the dynamical system generating them.  eVKF works for arbitrary likelihoods and utilizes the constant base measure exponential family to model the latent state stochasticity. We derive a closed-form variational analog to the predict step of the Kalman filter which leads to a provably tighter bound on the ELBO compared to another online variational method. We validate our method on synthetic and real-world data, and, notably, show that it achieves competitive performance.
Does Zero-Shot Reinforcement Learning Exist?
Authors: Jérémy Rapin, Yann Ollivier Ahmed Touati
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: A zero-shot RL agent is an agent that can solve any RL task in a given environment, instantly with no additional planning or learning, after an initial reward-free learning phase. This marks a shift from the reward-centric RL paradigm towards controllable agents that can follow arbitrary instructions in an environment. Current RL agents can solve families of related tasks at best, or require planning anew for each task. Strategies for approximate zero-shot RL have been suggested using successor features (SFs) (Borsa et al., 2018) or forward-backward (FB) representations (Touati & Ollivier, 2021), but testing has been limited. 
After clarifying the relationships between these schemes, we introduce improved losses and new SF models, and test the viability of zero-shot RL schemes systematically on tasks from the Unsupervised RL benchmark (Laskin et al., 2021). To disentangle universal representation learning from exploration, we work in an offline setting and repeat the tests on several existing replay buffers.
SFs appear to suffer from the choice of the elementary state features. SFs with Laplacian eigenfunctions do well, while SFs based on auto-encoders, inverse curiosity, transition models, low-rank transition matrix, contrastive learning, or diversity (APS),  perform unconsistently. In contrast, FB representations jointly learn the elementary and successor features from a single, principled criterion. They perform best and consistently across the board, reaching $85\%$ of supervised RL performance with a good replay buffer, in a zero-shot manner.
The Provable Benefit of Unsupervised Data Sharing for Offline Reinforcement Learning
Authors: Yiqin Yang, Qianchuan Zhao, Chongjie Zhang Hao Hu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Self-supervised methods have become crucial for advancing deep learning by leveraging data itself to reduce the need for expensive annotations. However, the question of how to conduct self-supervised offline reinforcement learning (RL) in a principled way remains unclear.
In this paper, we address this issue by investigating the theoretical benefits of utilizing reward-free data in linear Markov Decision Processes (MDPs) within a semi-supervised setting. Further, we propose a novel, Provable Data Sharing algorithm (PDS) to utilize such reward-free data for offline RL. PDS uses additional penalties on the reward function learned from labeled data to prevent overestimation, ensuring a conservative algorithm. Our results on various offline RL tasks demonstrate that PDS significantly improves the performance of offline RL algorithms with reward-free data. Overall, our work provides a promising approach to leveraging the benefits of unlabeled data in offline RL while maintaining theoretical guarantees. We believe our findings will contribute to developing more robust self-supervised RL methods.
Simplifying Model-based RL: Learning Representations, Latent-space Models, and Policies with One Objective
Authors: Homanga Bharadhwaj, Benjamin Eysenbach, Sergey Levine, Russ Salakhutdinov Raj Ghugare
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: While reinforcement learning (RL) methods that learn an internal model of the environment have the potential to be more sample efficient than their model-free counterparts, learning to model raw observations from high dimensional sensors can be challenging.
Prior work has addressed this challenge by learning low-dimensional representation of observations through auxiliary objectives, such as reconstruction or value prediction. However, the alignment between these auxiliary objectives and the RL objective is often unclear.
In this work, we propose a single objective which jointly optimizes a latent-space model and policy to achieve high returns while remaining self-consistent. This objective is a lower bound on expected returns. Unlike prior bounds for model-based RL on policy exploration or model guarantees, our bound is directly on the overall RL objective. We demonstrate that the resulting algorithm matches or improves the sample-efficiency of the best prior model-based and model-free RL methods. While sample efficient methods typically are computationally demanding, our method attains the performance of SAC in about 50\% less wall-clock time.
A Multi-Grained Self-Interpretable Symbolic-Neural Model For Single/Multi-Labeled Text Classification
Authors: XinYu KONG, Kewei Tu Xiang Hu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Deep neural networks based on layer-stacking architectures have historically suffered from poor inherent interpretability. Meanwhile, symbolic probabilistic models function with clear interpretability, but how to combine them with neural networks to enhance their performance remains to be explored. In this paper, we try to marry these two systems for text classification via a structured language model. We propose a Symbolic-Neural model that can learn to explicitly predict class labels of text spans from a constituency tree without requiring any access to span-level gold labels. As the structured language model learns to predict constituency trees in a self-supervised manner, only raw texts and sentence-level labels are required as training data, which makes it essentially a general constituent-level self-interpretable classification model. Our experiments demonstrate that our approach could achieve good prediction accuracy in downstream tasks. Meanwhile, the predicted span labels are consistent with human rationales to a certain degree.
Open-Vocabulary Object Detection upon Frozen Vision and Language Models
Authors: Yin Cui, Xiuye Gu, AJ Piergiovanni, Anelia Angelova Weicheng Kuo
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We present F-VLM, a simple open-vocabulary object detection method built uponFrozenVision andLanguageModels.  F-VLM simplifies the current multi-stage training pipeline by eliminating the need for knowledge distillation or detection-tailored pretraining.  Surprisingly, we observe that a frozen VLM: 1) retains the locality-sensitive features necessary for detection, and 2) is a strong region classifier.  We finetune only the detector head and combine the detector and VLM outputs for each region at inference time.  F-VLM shows compelling scaling behavior and achieves +6.5 mask AP improvement over the previous state of theart  on  novel  categories  of  LVIS  open-vocabulary  detection  benchmark. In addition, we demonstrate very competitive results on COCO open-vocabulary detection benchmark and cross-dataset transfer detection, in addition to significant training speed-up and compute savings. Code will be released.
Deep Generative Modeling on Limited Data with Regularization by Nontransferable Pre-trained Models
Authors: Hongtao Liu, Xiaodong Liu, Fan Bao, Weiran Shen, Chongxuan Li Yong Zhong
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Deep generative models (DGMs) are data-eager because learning a complex model on limited data suffers from a large variance and easily overfits. Inspired by the classical perspective of the bias-variance tradeoff, we propose regularized deep generative model (Reg-DGM), which leverages a nontransferable pre-trained model to reduce the variance of generative modeling with limited data. Formally, Reg-DGM optimizes a weighted sum of a certain divergence and the expectation of an energy function, where the divergence is between the data and the model distributions, and the energy function is defined by the pre-trained model w.r.t. the model distribution. We analyze a simple yet representative Gaussian-fitting case to demonstrate how the weighting hyperparameter trades off the bias and the variance. Theoretically, we characterize the existence and the uniqueness of the global minimum of Reg-DGM in a non-parametric setting and prove its convergence with neural networks trained by gradient-based methods. Empirically, with various pre-trained feature extractors and a data-dependent energy function, Reg-DGM consistently improves the generation performance of strong DGMs with limited data and achieves competitive results to the state-of-the-art methods. Our implementation is available at https://github.com/ML-GSAI/Reg-ADA-APA.
Addressing Parameter Choice Issues in Unsupervised Domain Adaptation by Aggregation
Authors: Markus Holzleitner, Maximilian Beck, Hoan Duc Nguyen, Andrea Huber, Hamid Eghbal-zadeh, Bernhard A. Moser, Sergei Pereverzyev, Sepp Hochreiter, Werner Zellinger Marius-Constantin Dinu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We study the problem of choosing algorithm hyper-parameters in unsupervised domain adaptation, i.e., with labeled data in a source domain and unlabeled data in a target domain, drawn from a different input distribution. We follow the strategy to compute several models using different hyper-parameters, and, to subsequently compute a linear aggregation of the models. While several heuristics exist that follow this strategy, methods are still missing that rely on thorough theories for bounding the target error. In this turn, we propose a method that extends weighted least squares to vector-valued functions, e.g., deep neural networks. We show that the target error of the proposed algorithm is asymptotically not worse than twice the error of the unknown optimal aggregation. We also perform a large scale empirical comparative study on several datasets, including text, images, electroencephalogram, body sensor signals and signals from mobile phones. Our method outperforms deep embedded validation (DEV) and importance weighted validation (IWV) on all datasets, setting a new state-of-the-art performance for solving parameter choice issues in unsupervised domain adaptation with theoretical error guarantees. We further study several competitive heuristics, all outperforming IWV and DEV on at least five datasets. However, our method outperforms each heuristic on at least five of seven datasets.
Learning with Logical Constraints but without Shortcut Satisfaction
Authors: Zehua Liu, Yuan Yao, Jingwei Xu, Taolue Chen, Xiaoxing Ma, Jian L\"{u} Zenan Li
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Recent studies have started to explore the integration of logical knowledge into deep learning via encoding logical constraints as an additional loss function. However, existing approaches tend to vacuously satisfy logical constraints through shortcuts, failing to fully exploit the knowledge. In this paper, we present a new framework for learning with logical constraints. Specifically, we address the shortcut satisfaction issue by introducing dual variables for logical connectives, encoding how the constraint is satisfied. We further propose a variational framework where the encoded logical constraint is expressed as a distributional loss that is compatible with the model's original training loss. The theoretical analysis shows that the proposed approach bears some nice properties, and the experimental evaluations demonstrate its superior performance in both model generalizability and constraint satisfaction.
Better Teacher Better Student: Dynamic Prior Knowledge for Knowledge Distillation
Authors: Zengyu Qiu, Xinzhu Ma, Kunlin Yang, Chunya Liu, Jun Hou, Shuai Yi, Wanli Ouyang Martin Zong
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Knowledge distillation (KD) has shown very promising capabilities in transferring learning representations from large models (teachers) to small models (students). However, as the capacity gap between students and teachers becomes larger, existing KD methods fail to achieve better results. Our work shows that the 'prior knowledge' is vital to KD, especially when applying large teachers.  Particularly, we propose the dynamic prior knowledge (DPK), which integrates part of teacher's features as the prior knowledge before the feature distillation. This means that our method also takes the teacher's feature as `input', not just `target'. Besides, we dynamically adjust the ratio of the prior knowledge during the training phase according to the feature gap, thus guiding the student in an appropriate difficulty. To evaluate the proposed method, we conduct extensive experiments on two image classification benchmarks (i.e. CIFAR100 and ImageNet) and an object detection benchmark (\i.e. MS COCO). The results demonstrate the superiority of our method in performance under varying settings. Besides, our DPK makes the performance of the student model positively correlated with that of the teacher model, which means that we can further boost the accuracy of students by applying larger teachers. More importantly, DPK provides a fast solution in teacher model selection for any given model. Our codes will be publicly available for reproducibility.
DeCap: Decoding CLIP Latents for Zero-Shot Captioning via Text-Only Training
Authors: Linchao Zhu, Longyin Wen, Yi Yang Wei Li
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Large-scale pre-trained multi-modal models (e.g., CLIP) demonstrate strong zero-shot transfer capability in many discriminative tasks, e.g., image classification. Their adaptation to zero-shot image-conditioned text generation tasks has drawn increasing interest. Prior arts approach to zero-shot captioning by either utilizing the existing large language models (e.g., GPT-2) or pre-training the encoder-decoder network in an end-to-end manner. However, the large language models may not generate sensible descriptions due to the task discrepancy between captioning and language modeling, while the end-to-end pre-training requires paired data and extensive computational resources. In this work, we propose a simple framework, named DeCap, for zero-shot captioning. We introduce a lightweight visual-aware language decoder. This decoder is both data-efficient and computation-efficient: 1) it only requires the \textit{text} data for training, easing the burden on the collection of paired data. 2) it does not require end-to-end training. When trained with text-only data, the decoder takes the text embedding extracted from the off-the-shelf CLIP encoder as a prefix embedding. The challenge is that the decoder is trained on the text corpus but at the inference stage, it needs to generate captions based on visual inputs. Though the CLIP text embedding and the visual embedding are correlated, the \textit{modality gap} issue is widely observed in multi-modal contrastive models that prevents us from directly taking the visual embedding as the prefix embedding. We propose a training-free mechanism to reduce the modality gap. We project the visual embedding into the CLIP text embedding space, while the projected embedding retains the information of the visual input. Taking the projected embedding as the prefix embedding, the decoder generates high-quality descriptions that match the visual input. The experiments show that DeCap outperforms other zero-shot captioning methods and unpaired captioning methods by a large margin on the typical image captioning benchmarks, i.e., MSCOCO and NoCaps. We apply DeCap to video captioning and achieve state-of-the-art zero-shot performance on MSR-VTT and ActivityNet-Captions. The code is available at https://github.com/dhg-wei/DeCap.
Planning with Large Language Models for Code Generation
Authors: Zhenfang Chen, Yikang Shen, Mingyu Ding, Joshua B. Tenenbaum, Chuang Gan Shun Zhang
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Existing large language model-based code generation pipelines typically use beam search or sampling algorithms during the decoding process. Although the programs they generate achieve high token-matching-based scores, they often fail to compile or generate incorrect outputs. The main reason is that conventional Transformer decoding algorithms may not be the best choice for code generation. In this work, we propose a novel Transformer decoding algorithm, Planning-Guided Transformer Decoding (PG-TD), that uses a planning algorithm to do lookahead search and guide the Transformer to generate better programs. Specifically, instead of simply optimizing the likelihood of the generated sequences, the Transformer makes use of a planner that generates candidate programs and tests them on public test cases. The Transformer can therefore make more informed decisions and generate tokens that will eventually lead to higher-quality programs. We also design a mechanism that shares information between the Transformer and the planner to make our algorithm computationally efficient. We empirically evaluate our framework with several large language models as backbones on public coding challenge benchmarks, showing that 1) it can generate programs that consistently achieve higher performance compared with competing baseline methods; 2) it enables controllable code generation, such as concise codes and highly-commented codes by optimizing modified objective.
Fast Sampling of Diffusion Models with Exponential Integrator
Authors: Yongxin Chen Qinsheng Zhang
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: The past few years have witnessed the great success of Diffusion models~(DMs) in generating high-fidelity samples in generative modeling tasks. A major limitation of the DM is its notoriously slow sampling procedure which normally requires hundreds to thousands of time discretization steps of the learned diffusion process to reach the desired accuracy. Our goal is to develop a fast sampling method for DMs with a much less number of steps while retaining high sample quality. To this end, we systematically analyze the sampling procedure in DMs and identify key factors that affect the sample quality, among which the method of discretization is most crucial. By carefully examining the learned diffusion process, we propose Diffusion Exponential Integrator Sampler~(DEIS). It is based on the Exponential Integrator designed for discretizing ordinary differential equations (ODEs) and leverages a semilinear structure of the learned diffusion process to reduce the discretization error. The proposed method can be applied to any DMs and can generate high-fidelity samples in as few as 10 steps. Moreover, by directly using pre-trained DMs, we achieve state-of-art sampling performance when the number of score function evaluation~(NFE) is limited,  e.g., 4.17 FID with 10 NFEs, 2.86 FID with only 20 NFEs on CIFAR10.
Empowering Graph Representation Learning with Test-Time Graph Transformation
Authors: Tong Zhao, Jiayuan Ding, Yozen Liu, Jiliang Tang, Neil Shah Wei Jin
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: As powerful tools for representation learning on graphs, graph neural networks (GNNs) have facilitated various applications from drug discovery to recommender systems. Nevertheless, the effectiveness of GNNs is immensely challenged by issues related to data quality, such as distribution shift, abnormal features and adversarial attacks. Recent efforts have been made on tackling these issues from a modeling perspective which requires additional cost of changing model architectures or re-training model parameters. In this work, we provide a data-centric view to tackle these issues and propose a graph transformation framework named GTrans which adapts and refines graph data at test time to achieve better performance. We provide theoretical analysis on the design of the framework and discuss why adapting graph data works better than adapting the model. Extensive experiments have demonstrated the effectiveness of GTrans on three distinct scenarios for eight benchmark datasets where suboptimal data is presented. Remarkably, GTrans performs the best in most cases with improvements up to 2.8%, 8.2% and 3.8% over the best baselines on three experimental settings.
How robust is unsupervised representation learning to distribution shift?
Authors: Imant Daunhawer, Julia E Vogt, Philip Torr, Amartya Sanyal Yuge Shi
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: The robustness of machine learning algorithms to distributions shift is primarily discussed in the context of supervised learning (SL). As such, there is a lack of insight on the robustness of the representations learned from unsupervised methods, such as self-supervised learning (SSL) and auto-encoder based algorithms (AE), to distribution shift. We posit that the input-driven objectives of unsupervised algorithms lead to representations that are more robust to distribution shift than the target-driven objective of SL. We verify this by extensively evaluating the performance of SSL and AE on both synthetic and realistic distribution shift datasets. Following observations that the linear layer used for classification itself can be susceptible to spurious correlations, we evaluate the representations using a linear
head trained on a small amount of out-of-distribution (OOD) data, to isolate the robustness of the learned representations from that of the linear head. We also develop “controllable” versions of existing realistic domain generalisation datasets with adjustable degrees of distribution shifts. This allows us to study the robustness of different learning algorithms under versatile yet realistic distribution shift
conditions. Our experiments show that representations learned from unsupervised learning algorithms generalise better than SL under a wide variety of extreme as well as realistic distribution shifts.
Adversarial Training of Self-supervised Monocular Depth Estimation against Physical-World Attacks
Authors: James Chenhao Liang, Guanhong Tao, Dongfang Liu, Xiangyu Zhang Zhiyuan Cheng
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Monocular Depth Estimation (MDE) is a critical component in applications such as autonomous driving. There are various attacks against MDE networks. These attacks, especially the physical ones, pose a great threat to the security of such systems.  Traditional adversarial training method requires ground-truth labels and hence cannot be directly applied to self-supervised MDE that does not have depth ground truth. Some self-supervised model hardening technique (e.g., contrastive learning) ignores the domain knowledge of MDE and can hardly achieve optimal performance. In this work, we propose a novel adversarial training method for self-supervised MDE models based on view synthesis without using the depth ground truth. We improve adversarial robustness against physical-world attacks using $L_0$-norm-bounded perturbation in training. We compare our method with supervised learning-based and contrastive learning-based methods that are tailored for MDE. Results on two representative MDE networks show that we achieve better robustness against various adversarial attacks with nearly no benign performance degradation.
Betty: An Automatic Differentiation Library for Multilevel Optimization
Authors: Willie Neiswanger, Pengtao Xie, Eric Xing Sang Keun Choe
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Gradient-based multilevel optimization (MLO) has gained attention as a framework for studying numerous problems, ranging from hyperparameter optimization and meta-learning to neural architecture search and reinforcement learning. However, gradients in MLO, which are obtained by composing best-response Jacobians via the chain rule, are notoriously difficult to implement and memory/compute intensive. We take an initial step towards closing this gap by introducing Betty, a software library for large-scale MLO. At its core, we devise a novel dataflow graph for MLO, which allows us to (1) develop efficient automatic differentiation for MLO that reduces the computational complexity from $\mathcal{O}(d^3)$ to $\mathcal{O}(d^2)$, (2) incorporate systems support such as mixed-precision and data-parallel training for scalability, and (3) facilitate implementation of MLO programs of arbitrary complexity while allowing a modular interface for diverse algorithmic and systems design choices. We empirically demonstrate that Betty can be used to implement an array of MLO programs, while also observing up to 11% increase in test accuracy, 14% decrease in GPU memory usage, and 20% decrease in training wall time over existing implementations on multiple benchmarks. We also showcase that Betty enables scaling MLO to models with hundreds of millions of parameters. We open-source the code at https://github.com/leopard-ai/betty.
Fuzzy Alignments in Directed Acyclic Graph for Non-Autoregressive Machine Translation
Authors: Chenze Shao, Shangtong Gui, Min Zhang, Yang Feng Zhengrui Ma
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Non-autoregressive translation (NAT) reduces the decoding latency but suffers from performance degradation due to the multi-modality problem. Recently, the structure of directed acyclic graph has achieved great success in NAT, which tackles the multi-modality problem by introducing dependency between vertices. However, training it with negative log-likelihood loss implicitly requires a strict alignment between reference tokens and vertices, weakening its ability to handle multiple translation modalities. In this paper, we hold the view that all paths in the graph are fuzzily aligned with the reference sentence. We do not require the exact alignment but train the model to maximize a fuzzy alignment score between the graph and reference, which takes captured translations in all modalities into account. Extensive experiments on major WMT benchmarks show that our method substantially improves translation performance and increases prediction confidence, setting a new state of the art for NAT on the raw training data.
The Role of Coverage in Online Reinforcement Learning
Authors: Dylan J Foster, Yu Bai, Nan Jiang, Sham M. Kakade Tengyang Xie
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Coverage conditions---which assert that the data logging distribution adequately covers the state space---play a fundamental role in determining the sample complexity of offline reinforcement learning. While such conditions might seem irrelevant to online reinforcement learning at first glance, we establish a new connection by showing---somewhat surprisingly---that the mere existence of a data distribution with good coverage can enable sample-efficient online RL. Concretely, we show that coverability---that is, existence of a data distribution that satisfies a ubiquitous coverage condition called concentrability---can be viewed as a structural property of the underlying MDP, and can be exploited by standard algorithms for sample-efficient exploration, even when the agent does not know said distribution. We complement this result by proving that several weaker notions of coverage, despite being sufficient for offline RL, are insufficient for online RL. We also show that existing complexity measures for online RL, including Bellman rank and Bellman-Eluder dimension, fail to optimally capture coverability, and propose a new complexity measure, the self-normalized coefficient, to provide a unification.
Boosting Causal Discovery via Adaptive Sample Reweighting
Authors: Fangfu Liu, Wenchang Ma, Zhibo Cai, Xiang Wang, Tat-Seng Chua An Zhang
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Under stringent model type and variable distribution assumptions, score-based causal discovery methods learn the directed acyclic graph (DAG) from observational data by evaluating candidate graphs over an averaged score function. Despite the great success in low-dimensional linear systems, it has been observed that these approaches overly exploits easier-to-fit samples, thus inevitably learning spurious edges. Worse still, the common homogeneity assumption of most causal discovery methods can be easily violated due to the widespread existence of heterogeneous data in the real world, resulting in performance vulnerability when noise distributions vary. We propose a simple yet effective model-agnostic framework to boost causal discovery performance by dynamically learning the adaptive weights for the Reweighted Score function, ReScore for short, where the learned weights tailors quantitatively to the important degree of each samples. Intuitively, we leverage the bilevel optimization scheme to alternatively train a standard DAG learner first, then upweight the samples that the DAG learner fails to fit well and downweight the samples that the DAG learner easily extracts the causation information from. Extensive experiments on both synthetic and real-world datasets are carried out to validate the effectiveness of ReScore. We observe consistent and significant boosts in structure learning performance. We further visualize that ReScore concurrently mitigates the influence of spurious edges and generalizes to heterogeneous data. Finally, we perform theoretical analysis to guarantee the structure identifiability and the weight adaptive properties of ReScore. Our codes are available at https://github.com/anzhang314/ReScore.
DexDeform: Dexterous Deformable Object Manipulation with Human Demonstrations and Differentiable Physics
Authors: Zhiao Huang, Tao Chen, Tao Du, Hao Su, Joshua B. Tenenbaum, Chuang Gan Sizhe Li
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: In this work, we aim to learn dexterous manipulation of deformable objects using multi-fingered hands. Reinforcement learning approaches for dexterous rigid object manipulation would struggle in this setting due to the complexity of physics interaction with deformable objects. At the same time, previous trajectory optimization approaches with differentiable physics for deformable manipulation would suffer from local optima caused by the explosion of contact modes from hand-object interactions. To address these challenges, we propose DexDeform, a principled framework that abstracts dexterous manipulation skills from human demonstration, and refines the learned skills with differentiable physics. Concretely, we first collect a small set of human demonstrations using teleoperation. And we then train a skill model using demonstrations for planning over action abstractions in imagination. To explore the goal space, we further apply augmentations to the existing deformable shapes in demonstrations and use a gradient optimizer to refine the actions planned by the skill model. Finally, we adopt the refined trajectories as new demonstrations for finetuning the skill model. To evaluate the effectiveness of our approach, we introduce a suite of six challenging dexterous deformable object manipulation tasks. Compared with baselines, DexDeform is able to better explore and generalize across novel goals unseen in the initial human demonstrations. Additional materials can be found at our project website: https://sites.google.com/view/dexdeform.
Distributional Meta-Gradient Reinforcement Learning
Authors: Shuicheng YAN, Zhongwen Xu Haiyan Yin
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Meta-gradient reinforcement learning (RL) algorithms have substantially boosted the performance of RL agents by learning an adaptive return. All the existing algorithms adhere to the same reward learning principle, where the adaptive return is simply formulated in the form of expected cumulative rewards, upon which the policy and critic update rules are specified under well-adopted distance metrics. In this paper, we present a novel algorithm that builds on the success of meta-gradient RL algorithms and effectively improves such algorithms by following a simple recipe, i.e., going beyond the expected return to formulate and learn the return in a more expressive form, value distributions. To this end, we first formulate a distributional return that could effectively capture bootstrapping and discounting behaviors over distributions, to form an informative distributional return target in value update. Then we derive an efficient meta update rule to learn the adaptive distributional return with meta-gradients. For empirical evaluation, we first present an illustrative example on a toy two-color grid-world domain, which validates the benefit of learning distributional return over expectation; then we conduct extensive comparisons on a large-scale RL benchmark Atari 2600, where we confirm that our proposed method with distributional return works seamlessly well with the actor-critic framework and leads to state-of-the-art median human normalized score among meta-gradient RL literature.
Conditional Antibody Design as 3D Equivariant Graph Translation
Authors: Wenbing Huang, Yang Liu Xiangzhe Kong
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Antibody design is valuable for therapeutic usage and biological research. Existing deep-learning-based methods encounter several key issues: 1) incomplete context for Complementarity-Determining Regions (CDRs) generation; 2) incapability of capturing the entire 3D geometry of the input structure; 3) inefficient prediction of the CDR sequences in an autoregressive manner. In this paper, we propose Multi-channel Equivariant Attention Network (MEAN) to co-design 1D sequences and 3D structures of CDRs. To be specific, MEAN formulates antibody design as a conditional graph translation problem by importing extra components including the target antigen and the light chain of the antibody. Then, MEAN resorts to E(3)-equivariant message passing along with a proposed attention mechanism to better capture the geometrical correlation between different components. Finally, it outputs both the 1D sequences and 3D structure via a multi-round progressive full-shot scheme, which enjoys more efficiency and precision against previous autoregressive approaches. Our method significantly surpasses state-of-the-art models in sequence and structure modeling, antigen-binding CDR design, and binding affinity optimization. Specifically, the relative improvement to baselines is about 23\% in antigen-binding CDR design and 34\% for affinity optimization.
Disentangling the Mechanisms Behind Implicit Regularization in SGD
Authors: Simran Kaur, Tanya Marwah, Saurabh Garg, Zachary Chase Lipton Zachary Novack
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: A number of competing hypotheses have been proposed to explain why small-batch Stochastic Gradient Descent (SGD) leads to improved generalization over the full-batch regime, with recent work crediting the implicit regularization of various quantities throughout training. However, to date, empirical evidence assessing the explanatory power of these hypotheses is lacking. In this paper, we conduct an extensive empirical evaluation, focusing on the ability of various theorized mechanisms to close the small-to-large batch generalization gap. Additionally, we characterize how the quantities that SGD has been claimed to (implicitly) regularize change over the course of training. By using micro-batches, i.e. disjoint smaller subsets of each mini-batch, we empirically show that explicitly penalizing the gradient norm or the Fisher Information Matrix trace, averaged over micro-batches, in the large-batch regime recovers small-batch SGD generalization, whereas Jacobian-based regularizations fail to do so. This generalization performance is shown to often be correlated with how well the regularized model’s gradient norms resemble those of small-batch SGD. We additionally show that this behavior breaks down as the micro-batch size approaches the batch size. Finally, we note that in this line of inquiry, positive experimental findings on CIFAR10 are often reversed on other datasets like CIFAR100, highlighting the need to test hypotheses on a wider collection of datasets.