论文检索

Deep Learning/Generative Models and Autoencoders

Minsu Kim, Federico Berto, Sungsoo Ahn, Jinkyoo Park

We study the problem of optimizing biological sequences, e.g., proteins, DNA, and RNA, to maximize a black-box score function that is only evaluated in an offline dataset. We propose a novel solution, bootstrapped training of score-conditioned generator (BootGen) algorithm. Our algorithm repeats a two-stage process. In the first stage, our algorithm trains the biological sequence generator with rank-based weights to enhance the accuracy of sequence generation based on high scores. The subsequent stage involves bootstrapping, which augments the training dataset with self-generated data labeled by a proxy score function. Our key idea is to align the score-based generation with a proxy score function, which distills the knowledge of the proxy score function to the generator. After training, we aggregate samples from multiple bootstrapped generators and proxies to produce a diverse design. Extensive experiments show that our method outperforms competitive baselines on biological sequential design tasks. We provide reproducible source code: https://github.com/kaist-silab/bootgen.

Data-centric AI/Data augmentation

Guozheng Ma, Linrui Zhang, Haoyu Wang, Lu Li, Zilin Wang, Zhen Wang, Li Shen, Xueqian Wang, Dacheng Tao

Data augmentation (DA) is a crucial technique for enhancing the sample efficiency of visual reinforcement learning (RL) algorithms.Notably, employing simple observation transformations alone can yield outstanding performance without extra auxiliary representation tasks or pre-trained encoders. However, it remains unclear which attributes of DA account for its effectiveness in achieving sample-efficient visual RL. To investigate this issue and further explore the potential of DA, this work conducts comprehensive experiments to assess the impact of DA's attributes on its efficacy and provides the following insights and improvements: (1) For individual DA operations, we reveal that both ample spatial diversity and slight hardness are indispensable. Building on this finding, we introduce Random PadResize (Rand PR), a new DA operation that offers abundant spatial diversity with minimal hardness. (2) For multi-type DA fusion schemes, the increased DA hardness and unstable data distribution result in the current fusion schemes being unable to achieve higher sample efficiency than their corresponding individual operations. Taking the non-stationary nature of RL into account, we propose a RL-tailored multi-type DA fusion scheme called Cycling Augmentation (CycAug), which performs periodic cycles of different DA operations to increase type diversity while maintaining data distribution consistency. Extensive evaluations on the DeepMind Control suite and CARLA driving simulator demonstrate that our methods achieve superior sample efficiency compared with the prior state-of-the-art methods.

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

Wenxuan Ma, Shuang Li, lincan Cai, Jingxuan Kang

Developing generalizable models that can effectively learn from limited data and with minimal reliance on human supervision is a significant objective within the machine learning community, particularly in the era of deep neural networks. Therefore, to achieve data-efficient learning, researchers typically explore approaches that can leverage more related or unlabeled data without necessitating additional manual labeling efforts, such as Semi-Supervised Learning (SSL), Transfer Learning (TL), and Data Augmentation (DA).SSL leverages unlabeled data in the training process, while TL enables the transfer of expertise from related data distributions. DA broadens the dataset by synthesizing new data from existing examples. However, the significance of additional knowledge contained within labels has been largely overlooked in research. In this paper, we propose a novel perspective on data efficiency that involves exploiting the semantic information contained in the labels of the available data. Specifically, we introduce a Language Semantic Graph (LSG) which is constructed from labels manifest as natural language descriptions. Upon this graph, an auxiliary graph neural network is trained to extract high-level semantic relations and then used to guide the training of the primary model, enabling more adequate utilization of label knowledge. Across image, video, and audio modalities, we utilize the LSG method in both TL and SSL scenarios and illustrate its versatility in significantly enhancing performance compared to other data-efficient learning approaches. Additionally, our in-depth analysis shows that the LSG method also expedites the training process.

Theory/Learning Theory

Rattana Pukdee, Dylan Sam, J. Zico Kolter, Maria-Florina Balcan, Pradeep Ravikumar

As larger deep learning models are hard to interpret, there has been a recent focus on generating explanations of these black-box models. In contrast, we may have apriori explanations of how models should behave. In this paper, we formalize this notion as learning from explanation constraints and provide a learning theoretic framework to analyze how such explanations can improve the learning of our models. One may naturally ask, "When would these explanations be helpful?"Our first key contribution addresses this question via a class of models that satisfies these explanation constraints in expectation over new data. We provide a characterization of the benefits of these models (in terms of the reduction of their Rademacher complexities) for a canonical class of explanations given by gradient information in the settings of both linear models and two layer neural networks. In addition, we provide an algorithmic solution for our framework, via a variational approximation that achieves better performance and satisfies these constraints more frequently, when compared to simpler augmented Lagrangian methods to incorporate these explanations. We demonstrate the benefits of our approach over a large array of synthetic and real-world experiments.

Optimization/Discrete and Combinatorial Optimization

Fabian Spaeh, Alina Ene

Display Ads and the generalized assignment problem are two well-studied online packing problems with important applications in ad allocation and other areas. In both problems, ad impressions arrive online and have to be allocated immediately to budget-constrained advertisers. Worst-case algorithms that achieve the ideal competitive ratio are known for both problems, but might act overly conservative given the predictable and usually tame nature of real-world input. Given this discrepancy, we develop an algorithm for both problems that incorporate machine-learned predictions and can thus improve the performance beyond the worst-case. Our algorithm is based on the work of Feldman et al. (2009) and similar in nature to Mahdian et al. (2007) who were the first to develop a learning-augmented algorithm for the related, but more structured Ad Words problem. We use a novel analysis to show that our algorithm is able to capitalize on a good prediction, while being robust against poor predictions. We experimentally evaluate our algorithm on synthetic and real-world data on a wide range of predictions. Our algorithm is consistently outperforming the worst-case algorithm without predictions.

Social Aspects/Privacy-preserving Statistics and Machine Learning

Wenxuan Bao, Francesco Pittaluga, Vijay Kumar B G, Vincent Bindschaedler

Data augmentation techniques, such as image transformations and combinations, are highly effective at improving the generalization of computer vision models, especially when training data is limited. However, such techniques are fundamentally incompatible with differentially private learning approaches, due to the latter’s built-in assumption that each training image’s contribution to the learned model is bounded. In this paper, we investigate why naive applications of multi-sample data augmentation techniques, such as mixup, fail to achieve good performance and propose two novel data augmentation techniques specifically designed for the constraints of differentially private learning. Our first technique, DP-Mix_Self, achieves SoTA classification performance across a range of datasets and settings by performing mixup on self-augmented data. Our second technique, DP-Mix_Diff, further improves performance by incorporating synthetic data from a pre-trained diffusion model into the mixup process. We open-source the code at https://github.com/wenxuan-Bao/DP-Mix.

Deep Learning/Graph Neural Networks

Zihan Luo, Hong Huang, Jianxun Lian, Xiran Song, Xing Xie, Hai Jin

Recently, the bias-related issues in GNN-based link prediction have raised widely spread concerns. In this paper, we emphasize the bias on links across different node clusters, which we call cross-links, after considering its significance in both easing information cocoons and preserving graph connectivity. Instead of following the objective-oriented mechanism in prior works with compromised utility, we empirically find that existing GNN models face severe data bias between internal-links (links within the same cluster) and cross-links, and this inspires us to rethink the bias issue on cross-links from a data perspective. Specifically, we design a simple yet effective twin-structure framework, which can be easily applied to most of GNNs to mitigate the bias as well as boost their utility in an end-to-end manner. The basic idea is to generate debiased node embeddings as demonstrations, and fuse them into the embeddings of original GNNs. In particular, we learn debiased node embeddings with the help of augmented supervision signals, and a novel dynamic training strategy is designed to effectively fuse debiased node embeddings with the original node embeddings. Experiments on three datasets with six common GNNs show that our framework can not only alleviate the bias between internal-links and cross-links, but also boost the overall accuracy. Comparisons with other state-of-the-art methods also verify the superiority of our method.

Deep Learning/Graph Neural Networks

Teng Xiao, Huaisheng Zhu, Zhengyu Chen, Suhang Wang

Graph Contrastive Learning (GCL) has shown superior performance in representation learning in graph-structured data. Despite their success, most existing GCL methods rely on prefabricated graph augmentation and homophily assumptions. Thus, they fail to generalize well to heterophilic graphs where connected nodes may have different class labels and dissimilar features. In this paper, we study the problem of conducting contrastive learning on homophilic and heterophilic graphs. We find that we can achieve promising performance simply by considering an asymmetric view of the neighboring nodes. The resulting simple algorithm, Asymmetric Contrastive Learning for Graphs (GraphACL), is easy to implement and does not rely on graph augmentations and homophily assumptions. We provide theoretical and empirical evidence that GraphACL can capture one-hop local neighborhood information and two-hop monophily similarity, which are both important for modeling heterophilic graphs. Experimental results show that the simple GraphACL significantly outperforms state-of-the-art graph contrastive learning and self-supervised learning methods on homophilic and heterophilic graphs. The code of GraphACL is available at https://github.com/tengxiao1/GraphACL.

Applications/Language, Speech and Dialog

Minki Kang, Seanie Lee, Jinheon Baek, Kenji Kawaguchi, Sung Ju Hwang

Large Language Models (LLMs) have shown promising performance in knowledge-intensive reasoning tasks that require a compound understanding of knowledge. However, deployment of the LLMs in real-world applications can be challenging due to their high computational requirements and concerns on data privacy.Previous studies have focused on building task-specific small Language Models (LMs) by fine-tuning them with labeled data or distilling LLMs. However, these approaches are ill-suited for knowledge-intensive reasoning tasks due to the limited capacity of small LMs in memorizing the knowledge required.Motivated by our theoretical analysis on memorization, we propose Knowledge-Augmented Reasoning Distillation (KARD), a novel method that fine-tunes small LMs to generate rationales obtained from LLMs with augmented knowledge retrieved from an external knowledge base. Moreover, we further propose a neural reranker to obtain documents relevant to rationale generation. We empirically show that KARD significantly improves the performance of small T5 and GPT models on the challenging knowledge-intensive reasoning datasets, namely MedQA-USMLE, StrategyQA, and OpenbookQA.Notably, our method makes the 250M T5 models achieve superior performance against the fine-tuned 3B models, having 12 times larger parameters, on both MedQA-USMLE and StrategyQA benchmarks.

Miscellaneous Aspects of Machine Learning/Causality

Amir Feder, Yoav Wald, Claudia Shi, Suchi Saria, David Blei

The reliance of text classifiers on spurious correlations can lead to poor generalization at deployment, raising concerns about their use in safety-critical domains such as healthcare. In this work, we propose to use counterfactual data augmentation, guided by knowledge of the causal structure of the data, to simulate interventions on spurious features and to learn more robust text classifiers. We show that this strategy is appropriate in prediction problems where the label is spuriously correlated with an attribute. Under the assumptions of such problems, we discuss the favorable sample complexity of counterfactual data augmentation, compared to importance re-weighting. Pragmatically, we match examples using auxiliary data, based on diff-in-diff methodology, and use a large language model (LLM) to represent a conditional probability of text. Through extensive experimentation on learning caregiver-invariant predictors of clinical diagnoses from medical narratives and on semi-synthetic data, we demonstrate that our method for simulating interventions improves out-of-distribution (OOD) accuracy compared to baseline invariant learning algorithms.

Miscellaneous Aspects of Machine Learning/Unsupervised and Semi-supervised Learning

Lei Zhang, Ji-Fu Li, Wei Wang

Semi-Supervised Domain Generalization (SSDG) aims to learn a model that is generalizable to an unseen target domain with only a few labels, and most existing SSDG methods assume that unlabeled training and testing samples are all known classes. However, a more realistic scenario is that known classes may be mixed with some unknown classes in unlabeled training and testing data. To deal with such a scenario, we propose the Class-Wise Adaptive Exploration and Exploitation (CWAEE) method. In particular, we explore unlabeled training data by using one-vs-rest classifiers and class-wise adaptive thresholds to detect known and unknown classes, and exploit them by adopting consistency regularization on augmented samples based on Fourier Transformation to improve the unseen domain generalization. The experiments conducted on real-world datasets verify the effectiveness and superiority of our method.

Miscellaneous Aspects of Machine Learning/Representation Learning

Shashanka Venkataramanan, Ewa Kijak, laurent amsaleg, Yannis Avrithis

Mixup refers to interpolation-based data augmentation, originally motivated as a way to go beyond empirical risk minimization (ERM). Its extensions mostly focus on the definition of interpolation and the space (input or feature) where it takes place, while the augmentation process itself is less studied. In most methods, the number of generated examples is limited to the mini-batch size and the number of examples being interpolated is limited to two (pairs), in the input space.We make progress in this direction by introducing MultiMix, which generates an arbitrarily large number of interpolated examples beyond the mini-batch size and interpolates the entire mini-batch in the embedding space. Effectively, we sample on the entire convex hull of the mini-batch rather than along linear segments between pairs of examples.On sequence data, we further extend to Dense MultiMix. We densely interpolate features and target labels at each spatial location and also apply the loss densely. To mitigate the lack of dense labels, we inherit labels from examples and weight interpolation factors by attention as a measure of confidence.Overall, we increase the number of loss terms per mini-batch by orders of magnitude at little additional cost. This is only possible because of interpolating in the embedding space. We empirically show that our solutions yield significant improvement over state-of-the-art mixup methods on four different benchmarks, despite interpolation being only linear. By analyzing the embedding space, we show that the classes are more tightly clustered and uniformly spread over the embedding space, thereby explaining the improved behavior.

Optimization/Discrete and Combinatorial Optimization

Eric Balkanski, Noemie Perivier, Clifford Stein, Hao-Ting Wei

An important goal of modern scheduling systems is to efficiently manage power usage. In energy-efficient scheduling, the operating system controls the speed at which a machine is processing jobs with the dual objective of minimizing energy consumption and optimizing the quality of service cost of the resulting schedule. Since machine-learned predictions about future requests can often be learned from historical data, a recent line of work on learning-augmented algorithms aims to achieve improved performance guarantees by leveraging predictions. In particular, for energy-efficient scheduling, Bamas et. al. [NeurIPS '20] and Antoniadis et. al. [SWAT '22] designed algorithms with predictions for the energy minimization with deadlines problem and achieved an improved competitive ratio when the prediction error is small while also maintaining worst-case bounds even when the prediction error is arbitrarily large.In this paper, we consider a general setting for energy-efficient scheduling and provide a flexible learning-augmented algorithmic framework that takes as input an offline and an online algorithm for the desired energy-efficient scheduling problem. We show that, when the prediction error is small, this framework gives improved competitive ratios for many different energy-efficient scheduling problems, including energy minimization with deadlines, while also maintaining a bounded competitive ratio regardless of the prediction error. Finally, we empirically demonstrate that this framework achieves an improved performance on real and synthetic datasets.

Xiaojun Guo, Yifei Wang, Zeming Wei, Yisen Wang

With the prosperity of contrastive learning for visual representation learning (VCL), it is also adapted to the graph domain and yields promising performance. However, through a systematic study of various graph contrastive learning (GCL) methods, we observe that some common phenomena among existing GCL methods that are quite different from the original VCL methods, including 1) positive samples are not a must for GCL; 2) negative samples are not necessary for graph classification, neither for node classification when adopting specific normalization modules; 3) data augmentations have much less influence on GCL, as simple domain-agnostic augmentations (e.g., Gaussian noise) can also attain fairly good performance. By uncovering how the implicit inductive bias of GNNs works in contrastive learning, we theoretically provide insights into the above intriguing properties of GCL. Rather than directly porting existing VCL methods to GCL, we advocate for more attention toward the unique architecture of graph learning and consider its implicit influence when designing GCL methods. Code is available at https://github.com/PKU-ML/ArchitectureMattersGCL.

Deep Learning

Jiawei Fan, Chao Li, Xiaolong Liu, Meina Song, Anbang Yao

In recent years, knowledge distillation methods based on contrastive learning have achieved promising results on image classification and object detection tasks. However, in this line of research, we note that less attention is paid to semantic segmentation. Existing methods heavily rely on data augmentation and memory buffer, which entail high computational resource demands when applying them to handle semantic segmentation that requires to preserve high-resolution feature maps for making dense pixel-wise predictions. In order to address this problem, we present Augmentation-free Dense Contrastive Knowledge Distillation (Af-DCD), a new contrastive distillation learning paradigm to train compact and accurate deep neural networks for semantic segmentation applications. Af-DCD leverages a masked feature mimicking strategy, and formulates a novel contrastive learning loss via taking advantage of tactful feature partitions across both channel and spatial dimensions, allowing to effectively transfer dense and structured local knowledge learnt by the teacher model to a target student model while maintaining training efficiency. Extensive experiments on five mainstream benchmarks with various teacher-student network pairs demonstrate the effectiveness of our approach. For instance, DeepLabV3-Res18|DeepLabV3-MBV2 model trained by Af-DCD reaches 77.03\%|76.38\% mIOU on Cityscapes dataset when choosing DeepLabV3-Res101 as the teacher, setting new performance records. Besides that, Af-DCD achieves an absolute mIOU improvement of 3.26\%|3.04\%|2.75\%|2.30\%|1.42\% compared with individually trained counterpart on Cityscapes|Pascal VOC|Camvid|ADE20K|COCO-Stuff-164K. Code is available at https://github.com/OSVAI/Af-DCD.

Deep Learning/Graph Neural Networks

Divin Yan, Gengchen Wei, Chen Yang, Shengzhong Zhang, zengfeng Huang

This paper introduces a new approach to address the issue of class imbalance in graph neural networks (GNNs) for learning on graph-structured data. Our approach integrates imbalanced node classification and Bias-Variance Decomposition, establishing a theoretical framework that closely relates data imbalance to model variance. We also leverage graph augmentation technique to estimate the variance and design a regularization term to alleviate the impact of imbalance. Exhaustive tests are conducted on multiple benchmarks, including naturally imbalanced datasets and public-split class-imbalanced datasets, demonstrating that our approach outperforms state-of-the-art methods in various imbalanced scenarios. This work provides a novel theoretical perspective for addressing the problem of imbalanced node classification in GNNs.

Deep Learning/Robustness

Wenhan Yang, Jingdong Gao, Baharan Mirzasoleiman

Contrastive vision-language representation learning has achieved state-of-the-art performance for zero-shot classification, by learning from millions of image-caption pairs crawled from the internet. However, the massive data that powers large multimodal models such as CLIP, makes them extremely vulnerable to various types of targeted data poisoning and backdoor attacks. Despite this vulnerability, robust contrastive vision-language pre-training against such attacks has remained unaddressed. In this work, we propose RoCLIP, the first effective method for robust pre-training multimodal vision-language models against targeted data poisoning and backdoor attacks. RoCLIP effectively breaks the association between poisoned image-caption pairs by considering a relatively large and varying pool of random captions, and matching every image with the text that is most similar to it in the pool instead of its own caption, every few epochs.It also leverages image and text augmentations to further strengthen the defense and improve the performance of the model. Our extensive experiments show that RoCLIP renders state-of-the-art targeted data poisoning and backdoor attacks ineffective during pre-training CLIP models. In particular, RoCLIP decreases the success rate for targeted data poisoning attacks from 93.75% to 12.5% and that of backdoor attacks down to 0%, while improving the model's linear probe performance by 10% and maintains a similar zero shot performance compared to CLIP. By increasing the frequency of matching, RoCLIP is able to defend strong attacks, which add up to 1% poisoned examples to the data, and successfully maintain a low attack success rate of 12.5%, while trading off the performance on some tasks.

Miscellaneous Aspects of Machine Learning/Online Learning, Active Learning and Bandits

Juan M. Cardenas, Ben Adcock, Nick Dexter

We introduce a general framework for active learning in regression problems. Our framework extends the standard setup by allowing for general types of data, rather than merely pointwise samples of the target function. This generalization covers many cases of practical interest, such as data acquired in transform domains (e.g., Fourier data), vector-valued data (e.g., gradient-augmented data), data acquired along continuous curves, and, multimodal data (i.e., combinations of different types of measurements). Our framework considers random sampling according to a finite number of sampling measures and arbitrary nonlinear approximation spaces (model classes). We introduce the concept of \textit{generalized Christoffel functions} and show how these can be used to optimize the sampling measures. We prove that this leads to near-optimal sample complexity in various important cases. This paper focuses on applications in scientific computing, where active learning is often desirable, since it is usually expensive to generate data. We demonstrate the efficacy of our framework for gradient-augmented learning with polynomials, Magnetic Resonance Imaging (MRI) using generative models and adaptive sampling for solving PDEs using Physics-Informed Neural Networks (PINNs).

Deep Learning/Self-Supervised Learning

Agrim Gupta, Jiajun Wu, Jia Deng, Fei-Fei Li

Establishing correspondence between images or scenes is a significant challenge in computer vision, especially given occlusions, viewpoint changes, and varying object appearances. In this paper, we present Siamese Masked Autoencoders (SiamMAE), a simple extension of Masked Autoencoders (MAE) for learning visual correspondence from videos. SiamMAE operates on pairs of randomly sampled video frames and asymmetrically masks them. These frames are processed independently by an encoder network, and a decoder composed of a sequence of cross-attention layers is tasked with predicting the missing patches in the future frame. By masking a large fraction (95%) of patches in the future frame while leaving the past frame unchanged, SiamMAE encourages the network to focus on object motion and learn object-centric representations. Despite its conceptual simplicity, features learned via SiamMAE outperform state-of-the-art self-supervised methods on video object segmentation, pose keypoint propagation, and semantic part propagation tasks. SiamMAE achieves competitive results without relying on data augmentation, handcrafted tracking-based pretext tasks, or other techniques to prevent representational collapse.

Deep Learning/Robustness

Andy Zhou, Jindong Wang, Yu-Xiong Wang, Haohan Wang

We propose a conceptually simple and lightweight framework for improving the robustness of vision models through the combination of knowledge distillation and data augmentation. We address the conjecture that larger models do not make for better teachers by showing strong gains in out-of-distribution robustness when distilling from pretrained foundation models. Following this finding, we propose Discrete Adversarial Distillation (DAD), which leverages a robust teacher to generate adversarial examples and a VQGAN to discretize them, creating more informative samples than standard data augmentation techniques. We provide a theoretical framework for the use of a robust teacher in the knowledge distillation with data augmentation setting and demonstrate strong gains in out-of-distribution robustness and clean accuracy across different student architectures. Notably, our method adds minor computational overhead compared to similar techniques and can be easily combined with other data augmentations for further improvements.