论文检索

Deep Learning/Generative Models and Autoencoders

Zhendong Wang, Yifan Jiang, Huangjie Zheng, Peihao Wang, Pengcheng He, Zhangyang "Atlas" Wang, Weizhu Chen, Mingyuan Zhou

Diffusion models are powerful, but they require a lot of time and data to train. We propose Patch Diffusion, a generic patch-wise training framework, to significantly reduce the training time costs while improving data efficiency, which thus helps democratize diffusion model training to broader users. At the core of our innovations is a new conditional score function at the patch level, where the patch location in the original image is included as additional coordinate channels, while the patch size is randomized and diversified throughout training to encode the cross-region dependency at multiple scales. Sampling with our method is as easy as in the original diffusion model. Through Patch Diffusion, we could achieve $\mathbf{\ge 2\times}$ faster training, while maintaining comparable or better generation quality. Patch Diffusion meanwhile improves the performance of diffusion models trained on relatively small datasets, $e.g.$, as few as 5,000 images to train from scratch. We achieve outstanding FID scores in line with state-of-the-art benchmarks: 1.77 on CelebA-64$\times$64, 1.93 on AFHQv2-Wild-64$\times$64, and 2.72 on ImageNet-256$\times$256. We share our code and pre-trained models at https://github.com/Zhendong-Wang/Patch-Diffusion.

Miscellaneous Aspects of Machine Learning/Transfer, Multitask and Meta-learning

Yizhou Zhang, Jingchao Ni, Wei Cheng, Zhengzhang Chen, Liang Tong, Haifeng Chen, Yan Liu

Meta-learning enables quick adaptation of machine learning models to new tasks with limited data. While tasks could come from varying distributions in reality, most of the existing meta-learning methods consider both training and testing tasks as from the same uni-component distribution, overlooking two critical needs of a practical solution: (1) the various sources of tasks may compose a multi-component mixture distribution, and (2) novel tasks may come from a distribution that is unseen during meta-training. In this paper, we demonstrate these two challenges can be solved jointly by modeling the density of task instances. We develop a meta-training framework underlain by a novel Hierarchical Gaussian Mixture based Task Generative Model (HTGM). HTGM extends the widely used empirical process of sampling tasks to a theoretical model, which learns task embeddings, fits the mixture distribution of tasks, and enables density-based scoring of novel tasks. The framework is agnostic to the encoder and scales well with large backbone networks. The model parameters are learned end-to-end by maximum likelihood estimation via an Expectation-Maximization (EM) algorithm. Extensive experiments on benchmark datasets indicate the effectiveness of our method for both sample classification and novel task detection.

Optimization/Bilevel optimization

Jie Hao, Kaiyi Ji, Mingrui Liu

Coreset is a small set that provides a data summary for a large dataset, such that training solely on the small set achieves competitive performance compared with a large dataset. In rehearsal-based continual learning, the coreset is typically used in the memory replay buffer to stand for representative samples in previous tasks, and the coreset selection procedure is typically formulated as a bilevel problem. However, the typical bilevel formulation for coreset selection explicitly performs optimization over discrete decision variables with greedy search, which is computationally expensive. Several works consider other formulations to address this issue, but they ignore the nested nature of bilevel optimization problems and may not solve the bilevel coreset selection problem accurately. To address these issues, we propose a new bilevel formulation, where the inner problem tries to find a model which minimizes the expected training error sampled from a given probability distribution, and the outer problem aims to learn the probability distribution with approximately $K$ (coreset size) nonzero entries such that learned model in the inner problem minimizes the training error over the whole data. To ensure the learned probability has approximately $K$ nonzero entries, we introduce a novel regularizer based on the smoothed top-$K$ loss in the upper problem. We design a new optimization algorithm that provably converges to the $\epsilon$-stationary point with $O(1/\epsilon^4)$ computational complexity. We conduct extensive experiments in various settings in continual learning, including balanced data, imbalanced data, and label noise, to show that our proposed formulation and new algorithm significantly outperform competitive baselines. From bilevel optimization point of view, our algorithm significantly improves the vanilla greedy coreset selection method in terms of running time on continual learning benchmark datasets. The code is available at https://github.com/MingruiLiu-ML-Lab/Bilevel-Coreset-Selection-via-Regularization.

Reinforcement Learning/Batch Offline

Ke Jiang, Jia-Yu Yao, Xiaoyang Tan

In this paper we deal with the state distributional shift problem commonly encountered in offline reinforcement learning during test, where the agent tends to take unreliable actions at out-of-sample (unseen) states. Our idea is to encourage the agent to follow the so called state recovery principle when taking actions, i.e., besides long-term return, the immediate consequences of the current action should also be taken into account and those capable of recovering the state distribution of the behavior policy are preferred. For this purpose, an inverse dynamics model is learned and employed to guide the state recovery behavior of the new policy. Theoretically, we show that the proposed method helps aligning the transited state distribution of the new policy with the offline dataset at out-of-sample states, without the need of explicitly predicting the transited state distribution, which is usually difficult in high-dimensional and complicated environments. The effectiveness and feasibility of the proposed method is demonstrated with the state-of-the-art performance on the general offline RL benchmarks.

Deep Learning/Graph Neural Networks

George Ma, Yifei Wang, Yisen Wang

Spectral embedding is a powerful graph embedding technique that has received a lot of attention recently due to its effectiveness on Graph Transformers. However, from a theoretical perspective, the universal expressive power of spectral embedding comes at the price of losing two important invariance properties of graphs, sign and basis invariance, which also limits its effectiveness on graph data. To remedy this issue, many previous methods developed costly approaches to learn new invariants and suffer from high computation complexity. In this work, we explore a minimal approach that resolves the ambiguity issues by directly finding canonical directions for the eigenvectors, named Laplacian Canonization (LC). As a pure pre-processing method, LC is light-weighted and can be applied to any existing GNNs. We provide a thorough investigation, from theory to algorithm, on this approach, and discover an efficient algorithm named Maximal Axis Projection (MAP) that works for both sign and basis invariance and successfully canonizes more than 90\% of all eigenvectors. Experiments on real-world benchmark datasets like ZINC, MOLTOX21, and MOLPCBA show that MAP consistently outperforms existing methods while bringing minimal computation overhead. Code is available at https://github.com/PKU-ML/LaplacianCanonization.

Deep Learning/Graph Neural Networks

Jiaxin Bai, Xin Liu, Weiqi Wang, Chen Luo, Yangqiu Song

Querying knowledge graphs (KGs) using deep learning approaches can naturally leverage the reasoning and generalization ability to learn to infer better answers. Traditional neural complex query answering (CQA) approaches mostly work on entity-centric KGs. However, in the real world, we also need to make logical inferences about events, states, and activities (i.e., eventualities or situations) to push learning systems from System I to System II, as proposed by Yoshua Bengio. Querying logically from an EVentuality-centric KG (EVKG) can naturally provide references to such kind of intuitive and logical inference. Thus, in this paper, we propose a new framework to leverage neural methods to answer complex logical queries based on an EVKG, which can satisfy not only traditional first-order logic constraints but also implicit logical constraints over eventualities concerning their occurrences and orders. For instance, if we know that *Food is bad* happens before *PersonX adds soy sauce*, then *PersonX adds soy sauce* is unlikely to be the cause of *Food is bad* due to implicit temporal constraint. To facilitate consistent reasoning on EVKGs, we propose Complex Eventuality Query Answering (CEQA), a more rigorous definition of CQA that considers the implicit logical constraints governing the temporal order and occurrence of eventualities. In this manner, we propose to leverage theorem provers for constructing benchmark datasets to ensure the answers satisfy implicit logical constraints. We also propose a Memory-Enhanced Query Encoding (MEQE) approach to significantly improve the performance of state-of-the-art neural query encoders on the CEQA task.

Reinforcement Learning/Batch Offline

Xiao Ma, Bingyi Kang, Zhongwen Xu, Min Lin, Shuicheng Yan

The major challenge of offline RL is the distribution shift that appears when out-of-distribution actions are queried, which makes the policy improvement direction biased by extrapolation errors. Most existing methods address this problem by penalizing the policy or value for deviating from the behavior policy during policy improvement or evaluation. In this work, we propose a novel MISA framework to approach offline RL from the perspective of Mutual Information between States and Actions in the dataset by directly constraining the policy improvement direction. MISA constructs lower bounds of mutual information parameterized by the policy and Q-values. We show that optimizing this lower bound is equivalent to maximizing the likelihood of a one-step improved policy on the offline dataset. Hence, we constrain the policy improvement direction to lie in the data manifold. The resulting algorithm simultaneously augments the policy evaluation and improvement by adding mutual information regularizations. MISA is a general framework that unifies conservative Q-learning (CQL) and behavior regularization methods (e.g., TD3+BC) as special cases. We introduce 3 different variants of MISA, and empirically demonstrate that tighter mutual information lower bound gives better offline RL performance. In addition, our extensive experiments show MISA significantly outperforms a wide range of baselines on various tasks of the D4RL benchmark, e.g., achieving 742.9 total points on gym-locomotion tasks. Our code is attached and will be released upon publication.

Hao Hu, Yiqin Yang, Jianing Ye, Ziqing Mai, Chongjie Zhang

Reward-free data is abundant and contains rich prior knowledge of human behaviors, but it is not well exploited by offline reinforcement learning (RL) algorithms. In this paper, we propose UBER, an unsupervised approach to extract useful behaviors from offline reward-free datasets via diversified rewards. UBER assigns different pseudo-rewards sampled from a given prior distribution to different agents to extract a diverse set of behaviors, and reuse them as candidate policies to facilitate the learning of new tasks. Perhaps surprisingly, we show that rewards generated from random neural networks are sufficient to extract diverse and useful behaviors, some even close to expert ones. We provide both empirical and theoretical evidences to justify the use of random priors for the reward function. Experiments on multiple benchmarks showcase UBER's ability to learn effective and diverse behavior sets that enhance sample efficiency for online RL, outperforming existing baselines. By reducing reliance on human supervision, UBER broadens the applicability of RL to real-world scenarios with abundant reward-free data.

Applications/Computer Vision

Roy Uziel, Or Dinari, Oren Freifeld

In the task of semi-supervised video object segmentation, the input is the binary mask of an object in the first frame, and the desired output consists of the corresponding masks of that object in the subsequent frames. Existing leading solutions have two main drawbacks: 1) an expensive and typically-supervised training on videos; 2) a large memory footprint during inference. Here we present a training-free solution, with a low-memory footprint, that yields state-of-the-art results. The proposed method combines pre-trained deep learning-based features (trained on still images) with more classical methods for streaming-data clustering. Designed to adapt to temporal concept drifts and generalize to diverse video content without relying on annotated images or videos, the method eliminates the need for additional training or fine-tuning, ensuring fast inference and immediate applicability to new videos. Concretely, we represent an object via a dynamic ensemble of temporally- and spatially-coherent mixtures over a representation built from pre-trained ViT features and positional embeddings. A convolutional conditional random field further improves spatial coherence and helps reject outliers. We demonstrate the efficacy of the method on key benchmarks: the DAVIS-2017 and YouTube-VOS 2018 validation datasets. Moreover, by the virtue of the low-memory footprint of the compact cluster-based representation, the method scales gracefully to high-resolution ViT features. Our code is available at https://github.com/BGU-CS-VIL/Training-Free-VOS

Deep Learning/Self-Supervised Learning

An Zhang, Leheng Sheng, Zhibo Cai, Xiang Wang, Tat-Seng Chua

Contrastive Learning (CL) has achieved impressive performance in self-supervised learning tasks, showing superior generalization ability. Inspired by the success, adopting CL into collaborative filtering (CF) is prevailing in semi-supervised topK recommendations. The basic idea is to routinely conduct heuristic-based data augmentation and apply contrastive losses (e.g., InfoNCE) on the augmented views. Yet, some CF-tailored challenges make this adoption suboptimal, such as the issue of out-of-distribution, the risk of false negatives, and the nature of top-K evaluation. They necessitate the CL-based CF scheme to focus more on mining hard negatives and distinguishing false negatives from the vast unlabeled user-item interactions, for informative contrast signals. Worse still, there is limited understanding of contrastive loss in CF methods, especially w.r.t. its generalization ability. To bridge the gap, we delve into the reasons underpinning the success of contrastive loss in CF, and propose a principled Adversarial InfoNCE loss (AdvInfoNCE), which is a variant of InfoNCE, specially tailored for CF methods. AdvInfoNCE adaptively explores and assigns hardness to each negative instance in an adversarial fashion and further utilizes a fine-grained hardness-aware ranking criterion to empower the recommender’s generalization ability. Training CF models with AdvInfoNCE, we validate the effectiveness of AdvInfoNCE on both synthetic and real-world benchmark datasets, thus showing its generalization ability to mitigate out-of-distribution problems. Given the theoretical guarantees and empirical superiority of AdvInfoNCE over most contrastive loss functions, we advocate its adoption as a standard loss in recommender systems, particularly for the out-of-distribution tasks. Codes are available at https://github.com/LehengTHU/AdvInfoNCE.

Haoxuan Li, Kunhan Wu, Chunyuan Zheng, Yanghao Xiao, Hao Wang, Zhi Geng, Fuli Feng, Xiangnan He, Peng Wu

In recommender systems, the collected data used for training is always subject to selection bias, which poses a great challenge for unbiased learning. Previous studies proposed various debiasing methods based on observed user and item features, but ignored the effect of hidden confounding. To address this problem, recent works suggest the use of sensitivity analysis for worst-case control of the unknown true propensity, but only valid when the true propensity is near to the nominal propensity within a finite bound. In this paper, we first perform theoretical analysis to reveal the possible failure of previous approaches, including propensity-based, multi-task learning, and bi-level optimization methods, in achieving unbiased learning when hidden confounding is present. Then, we propose a unified multi-task learning approach to remove hidden confounding, which uses a few unbiased ratings to calibrate the learned nominal propensities and nominal error imputations from biased data. We conduct extensive experiments on three publicly available benchmark datasets containing a fully exposed large-scale industrial dataset, validating the effectiveness of the proposed methods in removing hidden confounding.

Social Aspects/Trustworthy Machine Learning

Eoin Kenny, Weipeng Huang

When users receive either a positive or negative outcome from an automated system, Explainable AI (XAI) has almost exclusively focused on how to mutate negative outcomes into positive ones by crossing a decision boundary using counterfactuals (e.g., *"If you earn 2k more, we will accept your loan application"*). Here, we instead focus on positive outcomes, and take the novel step of using XAI to optimise them (e.g., *"Even if you wish to half your down-payment, we will still accept your loan application"*). Explanations such as these that employ "even if..." reasoning, and do not cross a decision boundary, are known as semifactuals. To instantiate semifactuals in this context, we introduce the concept of *Gain* (i.e., how much a user stands to benefit from the explanation), and consider the first causal formalisation of semifactuals. Tests on benchmark datasets show our algorithms are better at maximising gain compared to prior work, and that causality is important in the process. Most importantly however, a user study supports our main hypothesis by showing people find semifactual explanations more useful than counterfactuals when they receive the positive outcome of a loan acceptance.

Deep Learning/Other Representation Learning

Yiming Lei, Zilong Li, Yangyang Li, Junping Zhang, Hongming Shan

Interpreting the decisions of deep learning models has been actively studied since the explosion of deep neural networks. One of the most convincing interpretation approaches is salience-based visual interpretation, such as Grad-CAM, where the generation of attention maps depends merely on categorical labels. Although existing interpretation methods can provide explainable decision clues, they often yield partial correspondence between image and saliency maps due to the limited discriminative information from one-hot labels. This paper develops a Language-Image COnsistency model for explainable image classification, termed LICO, by correlating learnable linguistic prompts with corresponding visual features in a coarse-to-fine manner. Specifically, we first establish a coarse global manifold structure alignment by minimizing the distance between the distributions of image and language features. We then achieve fine-grained saliency maps by applying optimal transport (OT) theory to assign local feature maps with class-specific prompts. Extensive experimental results on eight benchmark datasets demonstrate that the proposed LICO achieves a significant improvement in generating more explainable attention maps in conjunction with existing interpretation methods such as Grad-CAM. Remarkably, LICO improves the classification performance of existing models without introducing any computational overhead during inference.

Applications/Language, Speech and Dialog

Haobo Wang, Yiwen Dong, Ruixuan Xiao, Fei Huang, Gang Chen, Junbo Zhao

While distant supervision has been extensively explored and exploited in NLP tasks like named entity recognition, a major obstacle stems from the inevitable noisy distant labels tagged unsupervisedly. A few past works approach this problem by adopting a self-training framework with a sample-selection mechanism. In this work, we innovatively identify two types of biases that were omitted by prior work, and these biases lead to inferior performance of the distant-supervised NER setup. First, we characterize the noise concealed in the distant labels as highly structural rather than fully randomized. Second, the self-training framework would ubiquitously introduce an inherent bias that causes erroneous behavior in both sample selection and eventually prediction. To cope with these problems, we propose a novel self-training framework, dubbed DesERT. This framework augments the conventional NER predicative pathway to a dual form that effectively adapts the sample-selection process to conform to its innate distributional-bias structure. The other crucial component of DesERT composes a debiased module aiming to enhance the token representations, hence the quality of the pseudo-labels. Extensive experiments are conducted to validate the DesERT. The results show that our framework establishes a new state-of-art performance, it achieves a +2.22% average F1 score improvement on five standardized benchmarking datasets. Lastly, DesERT demonstrates its effectiveness under a new DSNER benchmark where additional distant supervision comes from the ChatGPT model.

Deep Learning/Robustness

Minseon Kim, Hyeonjeong Ha, Sooel Son, Sung Ju Hwang

Recently, unsupervised adversarial training (AT) has been highlighted as a means of achieving robustness in models without any label information. Previous studies in unsupervised AT have mostly focused on implementing self-supervised learning (SSL) frameworks, which maximize the instance-wise classification loss to generate adversarial examples. However, we observe that simply maximizing the self-supervised training loss with an untargeted adversarial attack often results in generating ineffective adversaries that may not help improve the robustness of the trained model, especially for non-contrastive SSL frameworks without negative examples. To tackle this problem, we propose a novel positive mining for targeted adversarial attack to generate effective adversaries for adversarial SSL frameworks. Specifically, we introduce an algorithm that selects the most confusing yet similar target example for a given instance based on entropy and similarity, and subsequently perturbs the given instance towards the selected target. Our method demonstrates significant enhancements in robustness when applied to non-contrastive SSL frameworks, and less but consistent robustness improvements with contrastive SSL frameworks, on the benchmark datasets.

Deep Learning/Generative Models and Autoencoders

Hyuna Cho, Minjae Jeong, Sooyeon Jeon, Sungsoo Ahn, Won Hwa Kim

Successful graph generation depends on the accurate estimation of the joint distribution of graph components such as nodes and edges from training data. While recent deep neural networks have demonstrated sampling of realistic graphs together with diffusion models, however, they still suffer from oversmoothing problems which are inherited from conventional graph convolution and thus high-frequency characteristics of nodes and edges become intractable. To overcome such issues and generate graphs with high fidelity, this paper introduces a novel approach that captures the dependency between nodes and edges at multiple resolutions in the spectral space. By modeling the joint distribution of node and edge signals in a shared graph wavelet space, together with a score-based diffusion model, we propose a Wavelet Graph Diffusion Model (Wave-GD) which lets us sample synthetic graphs with real-like frequency characteristics of nodes and edges. Experimental results on four representative benchmark datasets validate the superiority of the Wave-GD over existing approaches, highlighting its potential for a wide range of applications that involve graph data.

Miscellaneous Aspects of Machine Learning/Causality

Francesco Montagna, Atalanti Mastakouri, Elias Eulig, Nicoletta Noceti, Lorenzo Rosasco, Dominik Janzing, Bryon Aragam, Francesco Locatello

When domain knowledge is limited and experimentation is restricted by ethical, financial, or time constraints, practitioners turn to observational causal discovery methods to recover the causal structure, exploiting the statistical properties of their data. Because causal discovery without further assumptions is an ill-posed problem, each algorithm comes with its own set of usually untestable assumptions, some of which are hard to meet in real datasets. Motivated by these considerations, this paper extensively benchmarks the empirical performance of recent causal discovery methods on observational _iid_ data generated under different background conditions, allowing for violations of the critical assumptions required by each selected approach. Our experimental findings show that score matching-based methods demonstrate surprising performance in the false positive and false negative rate of the inferred graph in these challenging scenarios, and we provide theoretical insights into their performance. This work is also the first effort to benchmark the stability of causal discovery algorithms with respect to the values of their hyperparameters. Finally, we hope this paper will set a new standard for the evaluation of causal discovery methods and can serve as an accessible entry point for practitioners interested in the field, highlighting the empirical implications of different algorithm choices.

Applications/Computer Vision

Rongkun Zheng, Lu Qi, Xi Chen, Yi Wang, Kun Wang, Yu Qiao, Hengshuang Zhao

Training on large-scale datasets can boost the performance of video instance segmentation while the annotated datasets for VIS are hard to scale up due to the high labor cost. What we possess are numerous isolated filed-specific datasets, thus, it is appealing to jointly train models across the aggregation of datasets to enhance data volume and diversity. However, due to the heterogeneity in category space, as mask precision increase with the data volume, simply utilizing multiple datasets will dilute the attention of models on different taxonomy. Thus, increasing the data scale and enriching taxonomy space while improving classification precision is important. In this work, we analyze that providing extra taxonomy information can help models concentrate on specific taxonomy, and propose our model named Taxonomy-aware Multi-dataset Joint Training for Video Instance Segmentation (TMT-VIS) to address this vital challenge. Specifically, we design a two-stage taxonomy aggregation module that first compiles taxonomy information from input videos and then aggregates these taxonomy priors into instance queries before the transformer decoder. We conduct extensive experimental evaluations on four popular and challenging benchmarks, including YouTube-VIS 2019, YouTube-VIS 2021, OVIS, and UVO. Our model shows significant improvement over the baseline solutions, and sets new state-of-the-art records on all these benchmarks. These appealing and encouraging results demonstrate the effectiveness and generality of our proposed approach. The code and trained models will be publicly available.

Applications/Computer Vision

Sarah Rastegar, Hazel Doughty, Cees Snoek

In the quest for unveiling novel categories at test time, we confront the inherent limitations of traditional supervised recognition models that are restricted by a predefined category set. While strides have been made in the realms of self-supervised and open-world learning towards test-time category discovery, a crucial yet often overlooked question persists: what exactly delineates a category? In this paper, we conceptualize a category through the lens of optimization, viewing it as an optimal solution to a well-defined problem. Harnessing this unique conceptualization, we propose a novel, efficient and self-supervised method capable of discovering previously unknown categories at test time. A salient feature of our approach is the assignment of minimum length category codes to individual data instances, which encapsulates the implicit category hierarchy prevalent in real-world datasets. This mechanism affords us enhanced control over category granularity, thereby equipping our model to handle fine-grained categories adeptly. Experimental evaluations, bolstered by state-of-the-art benchmark comparisons, testify to the efficacy of our solution in managing unknown categories at test time. Furthermore, we fortify our proposition with a theoretical foundation, providing proof of its optimality. Our code is available at: https://github.com/SarahRastegar/InfoSieve.

Applications/Computer Vision

Alessandro Conti, Enrico Fini, Massimiliano Mancini, Paolo Rota, Yiming Wang, Elisa Ricci

Recent advances in large vision-language models have revolutionized the image classification paradigm. Despite showing impressive zero-shot capabilities, a pre-defined set of categories, a.k.a. the vocabulary, is assumed at test time for composing the textual prompts. However, such assumption can be impractical when the semantic context is unknown and evolving. We thus formalize a novel task, termed as Vocabulary-free Image Classification (VIC), where we aim to assign to an input image a class that resides in an unconstrained language-induced semantic space, without the prerequisite of a known vocabulary. VIC is a challenging task as the semantic space is extremely large, containing millions of concepts, with hard-to-discriminate fine-grained categories. In this work, we first empirically verify that representing this semantic space by means of an external vision-language database is the most effective way to obtain semantically relevant content for classifying the image. We then propose Category Search from External Databases (CaSED), a method that exploits a pre-trained vision-language model and an external vision-language database to address VIC in a training-free manner. CaSED first extracts a set of candidate categories from captions retrieved from the database based on their semantic similarity to the image, and then assigns to the image the best matching candidate category according to the same vision-language model. Experiments on benchmark datasets validate that CaSED outperforms other complex vision-language frameworks, while being efficient with much fewer parameters, paving the way for future research in this direction.