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Graph neural networks have shown great ability in representation (GNNs) learning on graphs, facilitating various tasks. Despite their great performance in modeling graphs, recent works show that GNNs tend to inherit and amplify the bias from training data, causing concerns of the adoption of GNNs in high-stake scenarios. Hence, many efforts have been taken for fairness-aware GNNs. However, most existing fair GNNs learn fair node representations by adopting statistical fairness notions, which may fail to alleviate bias in the presence of statistical anomalies. Motivated by causal theory, there are several attempts utilizing graph counterfactual fairness to mitigate root causes of unfairness. However, these methods suffer from non-realistic counterfactuals obtained by perturbation or generation. In this paper, we take a causal view on fair graph learning problem. Guided by the casual analysis, we propose a novel framework CAF, which can select counterfactuals from training data to avoid non-realistic counterfactuals and adopt selected counterfactuals to learn fair node representations for node classification task. Extensive experiments on synthetic and real-world datasets show the effectiveness of CAF. Our code is available at //github.com/TimeLovercc/CAF-GNN.

We present ConceptEvo, a unified interpretation framework for deep neural networks (DNNs) that reveals the inception and evolution of learned concepts during training. Our work addresses a critical gap in DNN interpretation research, as existing methods primarily focus on post-training interpretation. ConceptEvo introduces two novel technical contributions: (1) an algorithm that generates a unified semantic space, enabling side-by-side comparison of different models during training, and (2) an algorithm that discovers and quantifies important concept evolutions for class predictions. Through a large-scale human evaluation and quantitative experiments, we demonstrate that ConceptEvo successfully identifies concept evolutions across different models, which are not only comprehensible to humans but also crucial for class predictions. ConceptEvo is applicable to both modern DNN architectures, such as ConvNeXt, and classic DNNs, such as VGGs and InceptionV3.

Adaptive gradient methods have become popular in optimizing deep neural networks; recent examples include AdaGrad and Adam. Although Adam usually converges faster, variations of Adam, for instance, the AdaBelief algorithm, have been proposed to enhance Adam's poor generalization ability compared to the classical stochastic gradient method. This paper develops a generic framework for adaptive gradient methods that solve non-convex optimization problems. We first model the adaptive gradient methods in a state-space framework, which allows us to present simpler convergence proofs of adaptive optimizers such as AdaGrad, Adam, and AdaBelief. We then utilize the transfer function paradigm from classical control theory to propose a new variant of Adam, coined AdamSSM. We add an appropriate pole-zero pair in the transfer function from squared gradients to the second moment estimate. We prove the convergence of the proposed AdamSSM algorithm. Applications on benchmark machine learning tasks of image classification using CNN architectures and language modeling using LSTM architecture demonstrate that the AdamSSM algorithm improves the gap between generalization accuracy and faster convergence than the recent adaptive gradient methods.

Uncertainty quantification is critical for deploying deep neural networks (DNNs) in real-world applications. An Auxiliary Uncertainty Estimator (AuxUE) is one of the most effective means to estimate the uncertainty of the main task prediction without modifying the main task model. To be considered robust, an AuxUE must be capable of maintaining its performance and triggering higher uncertainties while encountering Out-of-Distribution (OOD) inputs, i.e., to provide robust aleatoric and epistemic uncertainty. However, for vision regression tasks, current AuxUE designs are mainly adopted for aleatoric uncertainty estimates, and AuxUE robustness has not been explored. In this work, we propose a generalized AuxUE scheme for more robust uncertainty quantification on regression tasks. Concretely, to achieve a more robust aleatoric uncertainty estimation, different distribution assumptions are considered for heteroscedastic noise, and Laplace distribution is finally chosen to approximate the prediction error. For epistemic uncertainty, we propose a novel solution named Discretization-Induced Dirichlet pOsterior (DIDO), which models the Dirichlet posterior on the discretized prediction error. Extensive experiments on age estimation, monocular depth estimation, and super-resolution tasks show that our proposed method can provide robust uncertainty estimates in the face of noisy inputs and that it can be scalable to both image-level and pixel-wise tasks.

Instruction-tuned Language Models (LMs) are widely used by users to address various problems with task-specific prompts. Constraints associated with the context window length and computational costs encourage the development of compressed prompts. Existing methods rely heavily on training embeddings, which are designed to accommodate multiple token meanings. This presents challenges in terms of interpretability, a fixed number of embedding tokens, reusability across different LMs, and inapplicability when interacting with black-box APIs. This study proposes prompt compression with reinforcement learning (PCRL), a novel discrete prompt compression method that addresses these issues. PCRL employs a computationally efficient policy network that directly edits prompts. The PCRL training approach can be flexibly applied to various types of LMs, as well as decoder-only and encoder-decoder architecture, and can be trained without gradient access to LMs or labeled data. PCRL achieves an average reduction of 24.6% in token count across various instruction prompts while preserving performance. Further, we demonstrate that the learned policy can be transferred to larger LMs, and through various analyses, we aid the understanding of token importance within prompts.

The real-world data tends to be heavily imbalanced and severely skew the data-driven deep neural networks, which makes Long-Tailed Recognition (LTR) a massive challenging task. Existing LTR methods seldom train Vision Transformers (ViTs) with Long-Tailed (LT) data, while the off-the-shelf pretrain weight of ViTs always leads to unfair comparisons. In this paper, we systematically investigate the ViTs' performance in LTR and propose LiVT to train ViTs from scratch only with LT data. With the observation that ViTs suffer more severe LTR problems, we conduct Masked Generative Pretraining (MGP) to learn generalized features. With ample and solid evidence, we show that MGP is more robust than supervised manners. In addition, Binary Cross Entropy (BCE) loss, which shows conspicuous performance with ViTs, encounters predicaments in LTR. We further propose the balanced BCE to ameliorate it with strong theoretical groundings. Specially, we derive the unbiased extension of Sigmoid and compensate extra logit margins to deploy it. Our Bal-BCE contributes to the quick convergence of ViTs in just a few epochs. Extensive experiments demonstrate that with MGP and Bal-BCE, LiVT successfully trains ViTs well without any additional data and outperforms comparable state-of-the-art methods significantly, e.g., our ViT-B achieves 81.0% Top-1 accuracy in iNaturalist 2018 without bells and whistles. Code is available at //github.com/XuZhengzhuo/LiVT.

The time and effort involved in hand-designing deep neural networks is immense. This has prompted the development of Neural Architecture Search (NAS) techniques to automate this design. However, NAS algorithms tend to be slow and expensive; they need to train vast numbers of candidate networks to inform the search process. This could be alleviated if we could partially predict a network's trained accuracy from its initial state. In this work, we examine the overlap of activations between datapoints in untrained networks and motivate how this can give a measure which is usefully indicative of a network's trained performance. We incorporate this measure into a simple algorithm that allows us to search for powerful networks without any training in a matter of seconds on a single GPU, and verify its effectiveness on NAS-Bench-101, NAS-Bench-201, NATS-Bench, and Network Design Spaces. Our approach can be readily combined with more expensive search methods; we examine a simple adaptation of regularised evolutionary search. Code for reproducing our experiments is available at //github.com/BayesWatch/nas-without-training.

Graph neural networks (GNNs) have been proven to be effective in various network-related tasks. Most existing GNNs usually exploit the low-frequency signals of node features, which gives rise to one fundamental question: is the low-frequency information all we need in the real world applications? In this paper, we first present an experimental investigation assessing the roles of low-frequency and high-frequency signals, where the results clearly show that exploring low-frequency signal only is distant from learning an effective node representation in different scenarios. How can we adaptively learn more information beyond low-frequency information in GNNs? A well-informed answer can help GNNs enhance the adaptability. We tackle this challenge and propose a novel Frequency Adaptation Graph Convolutional Networks (FAGCN) with a self-gating mechanism, which can adaptively integrate different signals in the process of message passing. For a deeper understanding, we theoretically analyze the roles of low-frequency signals and high-frequency signals on learning node representations, which further explains why FAGCN can perform well on different types of networks. Extensive experiments on six real-world networks validate that FAGCN not only alleviates the over-smoothing problem, but also has advantages over the state-of-the-arts.

Translational distance-based knowledge graph embedding has shown progressive improvements on the link prediction task, from TransE to the latest state-of-the-art RotatE. However, N-1, 1-N and N-N predictions still remain challenging. In this work, we propose a novel translational distance-based approach for knowledge graph link prediction. The proposed method includes two-folds, first we extend the RotatE from 2D complex domain to high dimension space with orthogonal transforms to model relations for better modeling capacity. Second, the graph context is explicitly modeled via two directed context representations. These context representations are used as part of the distance scoring function to measure the plausibility of the triples during training and inference. The proposed approach effectively improves prediction accuracy on the difficult N-1, 1-N and N-N cases for knowledge graph link prediction task. The experimental results show that it achieves better performance on two benchmark data sets compared to the baseline RotatE, especially on data set (FB15k-237) with many high in-degree connection nodes.

Deep neural networks (DNNs) have been found to be vulnerable to adversarial examples resulting from adding small-magnitude perturbations to inputs. Such adversarial examples can mislead DNNs to produce adversary-selected results. Different attack strategies have been proposed to generate adversarial examples, but how to produce them with high perceptual quality and more efficiently requires more research efforts. In this paper, we propose AdvGAN to generate adversarial examples with generative adversarial networks (GANs), which can learn and approximate the distribution of original instances. For AdvGAN, once the generator is trained, it can generate adversarial perturbations efficiently for any instance, so as to potentially accelerate adversarial training as defenses. We apply AdvGAN in both semi-whitebox and black-box attack settings. In semi-whitebox attacks, there is no need to access the original target model after the generator is trained, in contrast to traditional white-box attacks. In black-box attacks, we dynamically train a distilled model for the black-box model and optimize the generator accordingly. Adversarial examples generated by AdvGAN on different target models have high attack success rate under state-of-the-art defenses compared to other attacks. Our attack has placed the first with 92.76% accuracy on a public MNIST black-box attack challenge.