mtybilly/Instruct2DS huggingface dataset:
Fast Sampling of Diffusion Models with Exponential Integrator
Authors: Qinsheng Zhang, Yongxin Chen
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: Wei Jin, Tong Zhao, Jiayuan Ding, Yozen Liu, Jiliang Tang, Neil Shah
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: Yuge Shi, Imant Daunhawer, Julia E Vogt, Philip Torr, Amartya Sanyal
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: Zhiyuan Cheng, James Chenhao Liang, Guanhong Tao, Dongfang Liu, Xiangyu Zhang
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: Sang Keun Choe, Willie Neiswanger, Pengtao Xie, Eric Xing
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: Zhengrui Ma, Chenze Shao, Shangtong Gui, Min Zhang, Yang Feng
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: Tengyang Xie, Dylan J Foster, Yu Bai, Nan Jiang, Sham M. Kakade
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: An Zhang, Fangfu Liu, Wenchang Ma, Zhibo Cai, Xiang Wang, Tat-Seng Chua
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: Sizhe Li, Zhiao Huang, Tao Chen, Tao Du, Hao Su, Joshua B. Tenenbaum, Chuang Gan
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: Haiyan Yin, Shuicheng YAN, Zhongwen Xu
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: Xiangzhe Kong, Wenbing Huang, Yang Liu
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: Zachary Novack, Simran Kaur, Tanya Marwah, Saurabh Garg, Zachary Chase Lipton
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.
Deja Vu: Continual Model Generalization for Unseen Domains
Authors: Chenxi Liu, Lixu Wang, Lingjuan Lyu, Chen Sun, Xiao Wang, Qi Zhu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: In real-world applications, deep learning models often run in non-stationary environments where the target data distribution continually shifts over time. There have been numerous domain adaptation (DA) methods in both online and offline modes to improve cross-domain adaptation ability. However, these DA methods typically only provide good performance after a long period of adaptation, and perform poorly on new domains before and during adaptation – in what we call the “Unfamiliar Period”, especially when domain shifts happen suddenly and significantly. On the other hand, domain generalization (DG) methods have been proposed to improve the model generalization ability on unadapted domains. However, existing DG works are ineffective for continually changing domains due to severe catastrophic forgetting of learned knowledge. To overcome these limitations of DA and DG in handling the Unfamiliar Period during continual domain shift, we propose RaTP, a framework that focuses on improving models’ target domain generalization (TDG) capability, while also achieving effective target domain adaptation (TDA) capability right after training on certain domains and forgetting alleviation (FA) capability on past domains. RaTP includes a training-free data augmentation module to prepare data for TDG, a novel pseudo-labeling mechanism to provide reliable supervision for TDA, and a prototype contrastive alignment algorithm to align different domains for achieving TDG, TDA and FA. Extensive experiments on Digits, PACS, and DomainNet demonstrate that RaTP significantly outperforms state-of-the-art works from Continual DA, Source-Free DA, Test-Time/Online DA, Single DG, Multiple DG and Unified DA&DG in TDG, and achieves comparable TDA and FA capabilities.
CoRTX: Contrastive Framework for Real-time Explanation
Authors: Yu-Neng Chuang, Guanchu Wang, Fan Yang, Quan Zhou, Pushkar Tripathi, Xuanting Cai, Xia Hu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Recent advancements in explainable machine learning provide effective and faithful solutions for interpreting model behaviors. However, many explanation methods encounter efficiency issues, which largely limit their deployments in practical scenarios. Real-time explainer (RTX) frameworks have thus been proposed to accelerate the model explanation process by learning an one-feed-forward explainer. Existing RTX frameworks typically build the explainer under the supervised learning paradigm, which requires large amounts of explanation labels as the ground truth. Considering that accurate explanation labels are usually hard to obtain, due to constrained computational resources and limited human efforts, effective explainer training is still challenging in practice. In this work, we propose a COntrastive Real-Time eXplanation (CoRTX) framework to learn the explanation-oriented representation and relieve the intensive dependence of explainer training on explanation labels. Specifically, we design a synthetic strategy to select positive and negative instances for explanation representation learning. Theoretical analysis show that our selection strategy can benefit the contrastive learning process on explanation tasks. Experimental results on three real-world datasets further demonstrate the efficiency and efficacy of our proposed CoRTX framework.
Training language models to summarize narratives improves brain alignment
Authors: Khai Loong Aw, Mariya Toneva
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Building systems that achieve a deeper understanding of language is one of the central goals of natural language processing (NLP). Towards this goal, recent works have begun to train language models on narrative datasets which require extracting the most critical information by integrating across long contexts. However, it is still an open question whether these models are learning a deeper understanding of the text, or if the models are simply learning a heuristic to complete the task. This work investigates this further by turning to the one language processing system that truly understands complex language: the human brain. We show that training language models for deeper narrative understanding results in richer representations that have improved alignment to human brain activity. We further find that the improvements in brain alignment are larger for character names than for other discourse features, which indicates that these models are learning important narrative elements. Taken together, these results suggest that this type of training can indeed lead to deeper language understanding. These findings have consequences both for cognitive neuroscience by revealing some of the significant factors behind brain-NLP alignment, and for NLP by highlighting that understanding of long-range context can be improved beyond language modeling.
Efficient Certified Training and Robustness Verification of Neural ODEs
Authors: Mustafa Zeqiri, Mark Niklas Mueller, Marc Fischer, Martin Vechev
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Neural Ordinary Differential Equations (NODEs) are a novel neural architecture, built around initial value problems with learned dynamics which are solved during inference. Thought to be inherently more robust against adversarial perturbations, they were recently shown to be vulnerable to strong adversarial attacks, highlighting the need for formal guarantees.  However, despite significant progress in robustness verification for standard feed-forward architectures, the verification of high dimensional NODEs remains an open problem. In this work we address this challenge and propose GAINS, an analysis framework for NODEs combining three key ideas: (i) a novel class of ODE solvers, based on variable but discrete time steps, (ii) an efficient graph representation of solver trajectories, and (iii) a novel abstraction algorithm operating on this graph representation. Together, these advances enable the efficient analysis and certified training of high-dimensional NODEs, by reducing the runtime from an intractable $\mathcal{O}(\exp(d)+\exp(T))$ to $\mathcal{O}(d+T^2\log^2T)$ in the dimensionality $d$ and integration time $T$.  In an extensive evaluation on computer vision (MNIST and Fashion-MNIST) and time-series forecasting (Physio-Net) problems, we demonstrate the effectiveness of both our certified training and verification methods.
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
Authors: Yi-Lun Liao, Tess Smidt
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Despite their widespread success in various domains, Transformer networks have yet to perform well across datasets in the domain of 3D atomistic graphs such as molecules even when 3D-related inductive biases like translational invariance and rotational equivariance are considered. In this paper, we demonstrate that Transformers can generalize well to 3D atomistic graphs and present Equiformer, a graph neural network leveraging the strength of Transformer architectures and incorporating SE(3)/E(3)-equivariant features based on irreducible representations (irreps). First, we propose a simple and effective architecture by only replacing original operations in Transformers with their equivariant counterparts and including tensor products. Using equivariant operations enables encoding equivariant information in channels of irreps features without complicating graph structures. With minimal modifications to Transformers, this architecture has already achieved strong empirical results. Second, we propose a novel attention mechanism called equivariant graph attention, which improves upon typical attention in Transformers through replacing dot product attention with multi-layer perceptron attention and including non-linear message passing. With these two innovations, Equiformer achieves competitive results to previous models on QM9, MD17 and OC20 datasets.
Reparameterization through Spatial Gradient Scaling
Authors: Alexander Detkov, Mohammad Salameh, Muhammad Fetrat, Jialin Zhang, Robin Luwei, SHANGLING JUI, Di Niu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Reparameterization aims to improve the generalization of deep neural networks by transforming a convolution operation into equivalent multi-branched structures during training. However, there exists a gap in understanding how reparameterization may change and benefit learning processes for neural networks. In this paper, we present a novel spatial gradient scaling method to redistribute learning focus among weights in convolutional neural networks. We prove that spatial gradient scaling achieves the same learning dynamics as a branched reparameterization yet without introducing structural changes into the network. We further propose an analytical approach that dynamically learns scalings for each convolutional layer based on the spatial characteristics of its input feature map gauged by mutual information. Experiments on CIFAR-10, CIFAR-100, and ImageNet show that without searching for reparameterized structures, our proposed scaling method outperforms the state-of-the-art reparameterization methods at a lower computational cost.
DropIT: Dropping Intermediate Tensors for Memory-Efficient DNN Training
Authors: Joya Chen, Kai Xu, Yuhui Wang, Yifei Cheng, Angela Yao
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: A standard hardware bottleneck when training deep neural networks is GPU memory. The bulk of memory is occupied by caching intermediate tensors for gradient computation in the backward pass. We propose a novel method to reduce this footprint - Dropping Intermediate Tensors (DropIT).  DropIT drops min-k elements of the intermediate tensors and approximates gradients from the sparsified tensors in the backward pass. Theoretically, DropIT reduces noise on estimated gradients and therefore has a higher rate of convergence than vanilla-SGD. Experiments show that we can drop up to 90\% of the intermediate tensor elements in fully-connected and convolutional layers while achieving higher testing accuracy for Visual Transformers and Convolutional Neural Networks on various tasks (e.g., classification, object detection, instance segmentation). Our code and models are available at https://github.com/chenjoya/dropit.
Cross-Level Distillation and Feature Denoising for Cross-Domain Few-Shot Classification
Authors: Hao ZHENG, Runqi Wang, Jianzhuang Liu, Asako Kanezaki
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: The conventional few-shot classification aims at learning a model on a large labeled base dataset and rapidly adapting to a target dataset that is from the same distribution as the base dataset. However, in practice, the base and the target datasets of few-shot classification are usually from different domains, which is the problem of cross-domain few-shot classification. We tackle this problem by making a small proportion of unlabeled images in the target domain accessible in the training stage. In this setup, even though the base data are sufficient and labeled, the large domain shift still makes transferring the knowledge from the base dataset difficult. We meticulously design a cross-level knowledge distillation method, which can strengthen the ability of the model to extract more discriminative features in the target dataset by guiding the network's shallow layers to learn higher-level information. Furthermore, in order to alleviate the overfitting in the evaluation stage, we propose a feature denoising operation which can reduce the feature redundancy and mitigate overfitting. Our approach can surpass the previous state-of-the-art method, Dynamic-Distillation, by 5.44% on 1-shot and 1.37% on 5-shot classification tasks on average in the BSCD-FSL benchmark. The implementation code will be available at https://gitee.com/mindspore/models/tree/master/research/cv/CLDFD.
Out-of-Distribution Detection based on In-Distribution Data Patterns Memorization with Modern Hopfield Energy
Authors: Jinsong Zhang, Qiang Fu, Xu Chen, Lun Du, Zelin Li, Gang Wang, xiaoguang Liu, Shi Han, Dongmei Zhang
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Out-of-Distribution (OOD) detection is essential for safety-critical applications of deep neural networks. OOD detection is challenging since DNN models may produce very high logits value even for OOD samples. Hence, it is of great difficulty to discriminate OOD data by directly adopting Softmax on output logits as the confidence score. Differently, we detect the OOD sample with Hopfield energy in a store-then-compare paradigm. In more detail, penultimate layer outputs on the training set are considered as the representations of in-distribution (ID) data. Thus they can be transformed into stored patterns that serve as anchors to measure the discrepancy of unseen data for OOD detection. Starting from the energy function defined in Modern Hopfield Network for the discrepancy score calculation, we derive a simplified version SHE with theoretical analysis. In SHE, we utilize only one stored pattern to present each class, and these patterns can be obtained by simply averaging the penultimate layer outputs of training samples within this class. SHE has the advantages of hyperparameterfree
and high computational efficiency. The evaluations of nine widely-used OOD datasets show the promising performance of such a simple yet effective approach and its superiority over State-of-the-Art models. Code is available at https://github.com/zjs975584714/SHE ood detection.
Scaling Pareto-Efficient Decision Making via Offline Multi-Objective RL
Authors: Baiting Zhu, Meihua Dang, Aditya Grover
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: The goal of multi-objective reinforcement learning (MORL) is to learn policies that simultaneously optimize multiple competing objectives. In practice, an agent's preferences over the objectives may not be known apriori, and hence, we require policies that can generalize to arbitrary preferences at test time. In this work, we propose a new data-driven setup for offline MORL, where we wish to learn a preference-agnostic policy agent using only a finite dataset of offline demonstrations of other agents and their preferences. The key contributions of this work are two-fold. First, we introduce D4MORL, (D)atasets for MORL that are specifically designed for offline settings. It contains 1.8 million annotated demonstrations obtained by rolling out reference policies that optimize for randomly sampled preferences on 6 MuJoCo environments with 2-3 objectives each. Second, we propose Pareto-Efficient Decision Agents (PEDA), a family of offline MORL algorithms that builds and extends Decision Transformers via a novel preference-and-return-conditioned policy. Empirically, we show that PEDA closely approximates the behavioral policy on the D4MORL benchmark and provides an excellent approximation of the Pareto-front with appropriate conditioning, as measured by the hypervolume and sparsity metrics.
Automating Nearest Neighbor Search Configuration with Constrained Optimization
Authors: Philip Sun, Ruiqi Guo, Sanjiv Kumar
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: The approximate nearest neighbor (ANN) search problem is fundamental to efficiently serving many real-world machine learning applications. A number of techniques have been developed for ANN search that are efficient, accurate, and scalable. However, such techniques typically have a number of parameters that affect the speed-recall tradeoff, and exhibit poor performance when such parameters aren't properly set. Tuning these parameters has traditionally been a manual process, demanding in-depth knowledge of the underlying search algorithm. This is becoming an increasingly unrealistic demand as ANN search grows in popularity. To tackle this obstacle to ANN adoption, this work proposes a constrained optimization-based approach to tuning quantization-based ANN algorithms. Our technique takes just a desired search cost or recall as input, and then generates tunings that, empirically, are very close to the speed-recall Pareto frontier and give leading performance on standard benchmarks.
CANIFE: Crafting Canaries for Empirical Privacy Measurement in Federated Learning
Authors: Samuel Maddock, Alexandre Sablayrolles, Pierre Stock
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Federated Learning (FL) is a setting for training machine learning models in distributed environments where the clients do not share their raw data but instead send model updates to a server. However, model updates can be subject to attacks and leak private information. Differential Privacy (DP) is a leading mitigation strategy which involves adding noise to clipped model updates, trading off performance for strong theoretical privacy guarantees. Previous work has shown that the threat model of DP is conservative and that the obtained guarantees may be vacuous or may overestimate information leakage in practice. In this paper, we aim to achieve a tighter measurement of the model exposure by considering a realistic threat model. We propose a novel method, CANIFE, that uses canaries - carefully crafted samples by a strong adversary to evaluate the empirical privacy of a training round. We apply this attack to vision models trained on CIFAR-10 and CelebA and to language models trained on Sent140 and Shakespeare. In particular, in realistic FL scenarios, we demonstrate that the empirical per-round epsilon obtained with CANIFE is 4 -- 5$\times$ lower than the theoretical bound.
Statistical Inference for Fisher Market Equilibrium
Authors: Luofeng Liao, Yuan Gao, Christian Kroer
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Statistical inference under market equilibrium effects has attracted increasing attention recently. In this paper we focus on the specific case of linear Fisher markets. They have been widely use in fair resource allocation of food/blood donations and budget management in large-scale Internet ad auctions. In resource allocation, it is crucial to quantify the variability of the resource received by the agents (such as blood banks and food banks) in addition to fairness and efficiency properties of the systems. For ad auction markets, it is important to establish statistical properties of the platform's revenues in addition to their expected values. To this end, we propose a statistical framework based on the concept of infinite-dimensional Fisher markets. In our framework, we observe a market formed by a finite number of items sampled from an underlying distribution (the ``observed market'') and aim to infer several important equilibrium quantities of the underlying long-run market. These equilibrium quantities include individual utilities, social welfare, and pacing multipliers. Through the lens of sample average approximation (SSA), we derive a collection of statistical results and show that the observed market provides useful statistical information of the long-run market. In other words, the equilibrium quantities of the observed market converge to the true ones of the long-run market with strong statistical guarantees. These include consistency, finite sample bounds, asymptotics, and confidence. As an extension, we discuss revenue inference in quasilinear Fisher markets.
Calibrating the Rigged Lottery: Making All Tickets Reliable
Authors: Bowen Lei, Ruqi Zhang, Dongkuan Xu, Bani Mallick
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Although sparse training has been successfully used in various deep learning tasks to save memory and reduce inference time, the reliability of the produced sparse models remains unexplored. Previous research has shown that deep neural networks tend to be over-confident, and we find that sparse training exacerbates this problem. Therefore, calibrating the sparse models is crucial for reliable prediction and decision making. In this paper, we propose a new sparse training method to produce sparse models with improved confidence calibration. In contrast to previous research that uses only one mask to control the sparse topology, our method utilizes two masks, including a deterministic mask and a random mask. The former efficiently searches and activates important weights by exploiting the magnitude of weights and gradients. While the latter brings better exploration and finds more appropriate weight values by random updates. Theoretically, we prove our method can be viewed as a hierarchical variational approximation of a probabilistic deep Gaussian process. Extensive experiments on multiple datasets, model architectures, and sparsities show that our method can reduce ECE values by up to 47.8\% and simultaneously maintain or even improve accuracy with only a slight increase in computational and storage burden.
PEER: A Collaborative Language Model
Authors: Timo Schick, Jane A. Yu, Zhengbao Jiang, Fabio Petroni, Patrick Lewis, Gautier Izacard, Qingfei You, Christoforos Nalmpantis, Edouard Grave, Sebastian Riedel
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Textual content is often the output of a collaborative writing process: We start with an initial draft, ask for suggestions, and repeatedly make changes.
Agnostic of this process, today’s language models are trained to generate only the final result. As a consequence, they lack several abilities crucial for collaborative writing: They are unable to update existing texts, difficult to control and incapable of verbally planning or explaining their actions.
To address these shortcomings, we introduce PEER, a collaborative language model that is trained to imitate the entire writing process itself. PEER can write drafts, add suggestions, propose edits and provide explanations for its actions. Crucially, we train multiple instances of PEER able to infill various parts of the writing process, enabling the use of self-training techniques for increasing the quality, amount and diversity of training data. This unlocks PEER's full potential by making it applicable in domains for which no edit histories are available and improving its ability to follow instructions, to write useful comments, and to explain its actions. We show that PEER achieves strong performance across various domains and editing tasks.
Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular Property Prediction
Authors: Wenlin Chen, Austin Tripp, José Miguel Hernández-Lobato
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We propose Adaptive Deep Kernel Fitting with Implicit Function Theorem (ADKF-IFT), a novel framework for learning deep kernel Gaussian processes (GPs) by interpolating between meta-learning and conventional deep kernel learning. Our approach employs a bilevel optimization objective where we meta-learn generally useful feature representations across tasks, in the sense that task-specific GP models estimated on top of such features achieve the lowest possible predictive loss on average. We solve the resulting nested optimization problem using the implicit function theorem (IFT). We show that our ADKF-IFT framework contains previously proposed Deep Kernel Learning (DKL) and Deep Kernel Transfer (DKT) as special cases. Although ADKF-IFT is a completely general method, we argue that it is especially well-suited for drug discovery problems and demonstrate that it significantly outperforms previous state-of-the-art methods on a variety of real-world few-shot molecular property prediction tasks and out-of-domain molecular property prediction and optimization tasks.
When and Why Vision-Language Models Behave like Bags-Of-Words, and What to Do About It?
Authors: Mert Yuksekgonul, Federico Bianchi, Pratyusha Kalluri, Dan Jurafsky, James Zou
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Despite the success of large vision and language models (VLMs) in many downstream applications, it is unclear how well they encode the compositional relationships between objects and attributes. Here, we create the Attribution, Relation, and Order (ARO) benchmark to systematically evaluate the ability of VLMs to understand different types of relationships, attributes, and order information. ARO consists of \emph{Visual Genome Attribution}, to test the understanding of objects' properties; \emph{Visual Genome Relation}, to test for relational understanding; and \emph{COCO-Order \& Flickr30k-Order}, to test for order sensitivity in VLMs. ARO is orders of magnitude larger than previous benchmarks of compositionality, with more than 50,000 test cases. We present the settings where  state-of-the-art VLMs behave like bags-of-words---i.e. when they have poor relational understanding, can blunder when linking objects to their attributes, and demonstrate a severe lack of order sensitivity. VLMs are predominantly trained and evaluated on large scale datasets with rich compositional structure in the images and captions. Yet, training on these datasets has not been enough to address the lack of compositional understanding, and evaluating on these datasets has failed to surface this deficiency. To understand why these limitations emerge and are not represented in the standard tests, we zoom into the evaluation and training procedures. We demonstrate that it is possible to perform well on image-text retrieval over existing datasets without using the composition and order information. This further motivates the value of using ARO to benchmark VLMs. Given that contrastive pretraining optimizes for retrieval on large datasets with similar shortcuts, we hypothesize that this can explain why the models do not need to learn to represent compositional information. This finding suggests a natural solution: composition-aware hard negative mining. We show that a simple-to-implement modification of contrastive learning significantly improves the performance on tasks requiring understanding of order and compositionality.
Video Scene Graph Generation from Single-Frame Weak Supervision
Authors: Siqi Chen, Jun Xiao, Long Chen
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Video scene graph generation (VidSGG) aims to generate a sequence of graph-structure representations for the given video. However, all existing VidSGG methods are fully-supervised, i.e., they need dense and costly manual annotations. In this paper, we propose the first weakly-supervised VidSGG task with only single-frame weak supervision: SF-VidSGG. By ``weakly-supervised", we mean that SF-VidSGG relaxes the training supervision from two different levels: 1) It only provides single-frame annotations instead of all-frame annotations. 2) The single-frame ground-truth annotation is still a weak image SGG annotation, i.e., an unlocalized scene graph. To solve this new task, we also propose a novel Pseudo Label Assignment based method, dubbed as PLA. PLA is a two-stage method, which generates pseudo visual relation annotations for the given video at the first stage, and then trains a fully-supervised VidSGG model with these pseudo labels. Specifically, PLA consists of three modules: an object PLA module, a predicate PLA module, and a future predicate prediction (FPP) module. Firstly, in the object PLA, we localize all objects for every frame. Then, in the predicate PLA, we design two different teachers to assign pseudo predicate labels. Lastly, in the FPP module, we fusion these two predicate pseudo labels by the regularity of relation transition in videos. Extensive ablations and results on the benchmark Action Genome have demonstrated the effectiveness of our PLA.