Persistence diagrams (PD)s play a central role in topological data analysis, and are used in an ever increasing variety of applications. The comparison of PD data requires computing distances among large sets of PDs, with metrics which are accurate, theoretically sound, and fast to compute. Especially for denser multi-dimensional PDs, such comparison metrics are lacking. While on the one hand, Wasserstein-type distances have high accuracy and theoretical guarantees, they incur high computational cost. On the other hand, distances between vectorizations such as Persistence Statistics (PS)s have lower computational cost, but lack the accuracy guarantees and theoretical properties of a true distance over PD space. In this work we introduce a class of pseudodistances called Extended Topological Pseudodistances (ETD)s, which have tunable complexity, and can approximate Sliced and classical Wasserstein distances at the high-complexity extreme, while being computationally lighter and close to Persistence Statistics at the lower complexity extreme, and thus allow users to interpolate between the two metrics. We build theoretical comparisons to show how to fit our new distances at an intermediate level between persistence vectorizations and Wasserstein distances. We also experimentally verify that ETDs outperform PSs in terms of accuracy and outperform Wasserstein and Sliced Wasserstein distances in terms of computational complexity.
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With the ability to collect vast amounts of image and natural language data from the web, there has been a remarkable advancement in Large-scale Language Models (LLMs). This progress has led to the emergence of chatbots and dialogue systems capable of fluent conversations with humans. As the variety of devices enabling interactions between humans and agents expands, and the performance of text-based dialogue systems improves, there has been recently proposed research on visual dialog. However, visual dialog requires understanding sequences of pairs consisting of images and sentences, making it challenging to gather sufficient data for training large-scale models from the web. In this paper, we propose a new multimodal learning method leveraging existing large-scale models designed for each modality, to enable model training for visual dialog with small visual dialog datasets. The key ideas of our approach are: 1) storing the history or context during the progression of visual dialog in the form of spatiotemporal graphs, and 2) introducing small modulation blocks between modality-specific models and the graphs to align the semantic spaces. For implementation, we introduce a novel structure-aware cross-attention method, which retrieves relevant image and text knowledge for utterance generation from the pretrained models. For experiments, we achieved a new state-of-the-art performance on three visual dialog datasets, including the most challenging one COMET.
Relaxed Stationary Distribution Correction Estimation for Improved Offline Policy Optimization
PDF ↗One of the major challenges of offline reinforcement learning (RL) is dealing with distribution shifts that stem from the mismatch between the trained policy and the data collection policy. Stationary distribution correction estimation algorithms (DICE) have addressed this issue by regularizing the policy optimization with f-divergence between the state-action visitation distributions of the data collection policy and the optimized policy. While such regularization naturally integrates to derive an objective to get optimal state-action visitation, such an implicit policy optimization framework has shown limited performance in practice. We observe that the reduced performance is attributed to the biased estimate and the properties of conjugate functions of f-divergence regularization. In this paper, we improve the regularized implicit policy optimization framework by relieving the bias and reshaping the conjugate function by relaxing the constraints. We show that the relaxation adjusts the degree of involvement of the sub-optimal samples in optimization, and we derive a new offline RL algorithm that benefits from the relaxed framework, improving from a previous implicit policy optimization algorithm by a large margin.
Skill-based reinforcement learning (RL) approaches have shown considerable promise, especially in solving long-horizon tasks via hierarchical structures. These skills, learned task-agnostically from offline datasets, can accelerate the policy learning process for new tasks. Yet, the application of these skills in different domains remains restricted due to their inherent dependency on the datasets, which poses a challenge when attempting to learn a skill-based policy via RL for a target domain different from the datasets' domains. In this paper, we present a novel offline skill learning framework DuSkill which employs a guided Diffusion model to generate versatile skills extended from the limited skills in datasets, thereby enhancing the robustness of policy learning for tasks in different domains. Specifically, we devise a guided diffusion-based skill decoder in conjunction with the hierarchical encoding to disentangle the skill embedding space into two distinct representations, one for encapsulating domain-invariant behaviors and the other for delineating the factors that induce domain variations in the behaviors. Our DuSkill framework enhances the diversity of skills learned offline, thus enabling to accelerate the learning procedure of high-level policies for different domains. Through experiments, we show that DuSkill outperforms other skill-based imitation learning and RL algorithms for several long-horizon tasks, demonstrating its benefits in few-shot imitation and online RL.
We propose a novel class incremental learning approach, which incorporates a feature augmentation technique motivated by adversarial attacks. We employ a classifier learned in the past to complement training examples of previous tasks. The proposed approach has an unique perspective to utilize the previous knowledge in class incremental learning since it augments features of arbitrary target classes using examples in other classes via adversarial attacks on a previously learned classifier. By allowing the Cross-Class Feature Augmentations (CCFA), each class in the old tasks conveniently populates samples in the feature space, which alleviates the collapse of the decision boundaries caused by sample deficiency for the previous tasks, especially when the number of stored exemplars is small. This idea can be easily incorporated into existing class incremental learning algorithms without any architecture modification. Extensive experiments on the standard benchmarks show that our method consistently outperforms existing class incremental learning methods by significant margins in various scenarios, especially under an environment with an extremely limited memory budget.
Offline Goal-Conditioned Reinforcement Learning (Offline GCRL) is an important problem in RL that focuses on acquiring diverse goal-oriented skills solely from pre-collected behavior datasets. In this setting, the reward feedback is typically absent except when the goal is achieved, which makes it difficult to learn policies especially from a finite dataset of suboptimal behaviors. In addition, realistic scenarios involve long-horizon planning, which necessitates the extraction of useful skills within sub-trajectories. Recently, the conditional diffusion model has been shown to be a promising approach to generate high-quality long-horizon plans for RL. However, their practicality for the goal-conditioned setting is still limited due to a number of technical assumptions made by the methods. In this paper, we propose SSD (Sub-trajectory Stitching with Diffusion), a model-based offline GCRL method that leverages the conditional diffusion model to address these limitations. In summary, we use the diffusion model that generates future plans conditioned on the target goal and value, with the target value estimated from the goal-relabeled offline dataset. We report state-of-the-art performance in the standard benchmark set of GCRL tasks, and demonstrate the capability to successfully stitch the segments of suboptimal trajectories in the offline data to generate high-quality plans.
We study the distributed gradient aggregation problem where individual clients contribute to learning a central model by sharing parameter gradients constructed from local losses. However, errors in some gradients, caused by low-quality data or adversaries, can degrade the learning process when naively combined. Existing robust gradient aggregation approaches assume that local data represent the global data-generating distribution, which may not always apply to heterogeneous (non-i.i.d.) client data. We propose a new algorithm that can robustly aggregate gradients from potentially heterogeneous clients. Our approach leverages the manifold structure inherent in heterogeneous client gradients and evaluates gradient anomaly degrees by projecting them onto this manifold. This algorithm is implemented as a simple and efficient method that accumulates random projections within the subspace defined by the nearest neighbors within a gradient cloud. Our experiments demonstrate consistent performance improvements over state-of-the-art robust aggregation algorithms.
Neural networks with self-attention (a.k.a. Transformers) like ViT and Swin have emerged as a better alternative to traditional convolutional neural networks (CNNs). However, our understanding of how the new architecture works is still limited. In this paper, we focus on the phenomenon that Transformers show higher robustness against corruptions than CNNs, while not being overconfident. This is contrary to the intuition that robustness increases with confidence. We resolve this contradiction by empirically investigating how the output of the penultimate layer moves in the representation space as the input data moves linearly within a small area. In particular, we show the following. (1) While CNNs exhibit fairly linear relationship between the input and output movements, Transformers show nonlinear relationship for some data. For those data, the output of Transformers moves in a curved trajectory as the input moves linearly. (2) When a data is located in a curved region, it is hard to move it out of the decision region since the output moves along a curved trajectory instead of a straight line to the decision boundary, resulting in high robustness of Transformers. (3) If a data is slightly modified to jump out of the curved region, the movements afterwards become linear and the output goes to the decision boundary directly. In other words, there does exist a decision boundary near the data, which is hard to find only because of the curved representation space. This explains the underconfident prediction of Transformers. Also, we examine mathematical properties of the attention operation that induce nonlinear response to linear perturbation. Finally, we share our additional findings, regarding what contributes to the curved representation space of Transformers, and how the curvedness evolves during training.
Mixed-precision quantization of efficient networks often suffer from activation instability encountered in the exploration of bit selections. To address this problem, we propose a novel method called MetaMix which consists of bit selection and weight training phases. The bit selection phase iterates two steps, (1) the mixed-precision-aware weight update, and (2) the bit-search training with the fixed mixed-precision-aware weights, both of which combined reduce activation instability in mixed-precision quantization and contribute to fast and high-quality bit selection. The weight training phase exploits the weights and step sizes trained in the bit selection phase and fine-tunes them thereby offering fast training. Our experiments with efficient and hard-to-quantize networks, i.e., MobileNet v2 and v3, and ResNet-18 on ImageNet show that our proposed method pushes the boundary of mixed-precision quantization, in terms of accuracy vs. operations, by outperforming both mixed- and single-precision SOTA methods.
We propose a novel framework DropTop that suppresses the shortcut bias in online continual learning (OCL) while being adaptive to the varying degree of the shortcut bias incurred by continuously changing environment. By the observed high-attention property of the shortcut bias, highly-activated features are considered candidates for debiasing. More importantly, resolving the limitation of the online environment where prior knowledge and auxiliary data are not ready, two novel techniques---feature map fusion and adaptive intensity shifting---enable us to automatically determine the appropriate level and proportion of the candidate shortcut features to be dropped. Extensive experiments on five benchmark datasets demonstrate that, when combined with various OCL algorithms, DropTop increases the average accuracy by up to 10.4% and decreases the forgetting by up to 63.2%.
When Model Meets New Normals: Test-Time Adaptation for Unsupervised Time-Series Anomaly Detection
PDF ↗Time-series anomaly detection deals with the problem of detecting anomalous timesteps by learning normality from the sequence of observations. However, the concept of normality evolves over time, leading to a "new normal problem", where the distribution of normality can be changed due to the distribution shifts between training and test data. This paper highlights the prevalence of the new normal problem in unsupervised time-series anomaly detection studies. To tackle this issue, we propose a simple yet effective test-time adaptation strategy based on trend estimation and a self-supervised approach to learning new normalities during inference. Extensive experiments on real-world benchmarks demonstrate that incorporating the proposed strategy into the anomaly detector consistently improves the model's performances compared to the existing baselines, leading to robustness to the distribution shifts.
IOFM: Using the Interpolation Technique on the Over-Fitted Models to Identify Clean-Annotated Samples
PDF ↗Most recent state-of-the-art algorithms for handling noisy label problems are based on the memorization effect, which is a phenomenon that deep neural networks (DNNs) memorize clean data before noisy ones. While the memorization effect can be a powerful tool, there are several cases where memorization effect does not occur. Examples are imbalanced class distributions and heavy contamination on labels. To address this limitation, we introduce a whole new approach called the interpolation with the over-fitted model (IOFM), which leverages over-fitted deep neural networks. The IOFM utilizes a new finding of over-fitted DNNs: for a given training sample, its neighborhoods chosen from the feature space are distributed differently on the original input space depending on the cleanness of the target sample. The IOFM has notable features in two aspects: 1) it yields superior results even when the training data are imbalanced or heavily noisy, 2) since we utilize over-fitted deep neural networks, a fine-tuning procedure to select the optimal training epoch, which is an essential yet sensitive factor for the success of the memorization effect, is not required, and thus, the IOFM can be used for non-experts. Through extensive experiments, we show that our method can serve as a promising alternative to existing solutions dealing with noisy labels, offering improved performance even in challenging situations.
Machine learning techniques, such as deep learning and ensemble methods, are widely used in various domains due to their ability to handle complex real-world tasks. However, their black-box nature has raised multiple concerns about the fairness, trustworthiness, and transparency of computer-assisted decision-making. This has led to the emergence of local post-hoc explainability methods, which offer explanations for individual decisions made by black-box algorithms. Among these methods, Kernel SHAP is widely used due to its model-agnostic nature and its well-founded theoretical framework. Despite these strengths, Kernel SHAP suffers from high instability: different executions of the method with the same inputs can lead to significantly different explanations, which diminishes the relevance of the explanations. The contribution of this paper is two-fold. On the one hand, we show that Kernel SHAP's instability is caused by its stochastic neighbor selection procedure, which we adapt to achieve full stability without compromising explanation fidelity. On the other hand, we show that by restricting the neighbors generation to perturbations of size 1 -- which we call the coalitions of Layer 1 -- we obtain a novel feature-attribution method that is fully stable, computationally efficient, and still meaningful.
Individual treatment effect (ITE) estimation requires adjusting for the covariate shift between populations with different treatments, and deep representation learning has shown great promise in learning a balanced representation of covariates. However the existing methods mostly consider the scenario of binary treatments. In this paper, we consider the more practical and challenging scenario in which the treatment is a continuous variable (e.g. dosage of a medication), and we address the two main challenges of this setup. We propose the adversarial counterfactual regression network (ACFR) that adversarially minimizes the representation imbalance in terms of KL divergence, and also maintains the impact of the treatment value on the outcome prediction by leveraging an attention mechanism. Theoretically we demonstrate that ACFR objective function is grounded in an upper bound on counterfactual outcome prediction error. Our experimental evaluation on semi-synthetic datasets demonstrates the empirical superiority of ACFR over a range of state-of-the-art methods.
In this paper, we study the collaborative learning model, which concerns the tradeoff between parallelism and communication overhead in multi-agent multi-armed bandits. For regret minimization in multi-armed bandits, we present the first set of tradeoffs between the number of rounds of communication between the agents and the regret of the collaborative learning process.
The SHAP framework provides a principled method to explain the predictions of a model by computing feature importance. Motivated by applications in finance, we introduce the Top-k Identification Problem (TkIP) (and its ordered variant TkIP- O), where the objective is to identify the subset (or ordered subset for TkIP-O) of k features corresponding to the highest SHAP values with PAC guarantees. While any sampling-based method that estimates SHAP values (such as KernelSHAP and SamplingSHAP) can be trivially adapted to solve TkIP, doing so is highly sample inefficient. Instead, we leverage the connection between SHAP values and multi-armed bandits (MAB) to show that both TkIP and TkIP-O can be reduced to variants of problems in MAB literature. This reduction allows us to use insights from the MAB literature to develop sample-efficient variants of KernelSHAP and SamplingSHAP. We propose KernelSHAP@k and SamplingSHAP@k for solving TkIP; along with KernelSHAP-O and SamplingSHAP-O to solve the ordering problem in TkIP-O. We perform extensive experiments using several credit-related datasets to show that our methods offer significant improvements of up to 40× in sample efficiency and 39× in runtime.
A primary challenge of physics-informed machine learning (PIML) is its generalization beyond the training domain, especially when dealing with complex physical problems represented by partial differential equations (PDEs). This paper aims to enhance the generalization capabilities of PIML, facilitating practical, real-world applications where accurate predictions in unexplored regions are crucial. We leverage the inherent causality and temporal sequential characteristics of PDE solutions to fuse PIML models with recurrent neural architectures based on systems of ordinary differential equations, referred to as neural oscillators. Through effectively capturing long-time dependencies and mitigating the exploding and vanishing gradient problem, neural oscillators foster improved generalization in PIML tasks. Extensive experimentation involving time-dependent nonlinear PDEs and biharmonic beam equations demonstrates the efficacy of the proposed approach. Incorporating neural oscillators outperforms existing state-of-the-art methods on benchmark problems across various metrics. Consequently, the proposed method improves the generalization capabilities of PIML, providing accurate solutions for extrapolation and prediction beyond the training data.
In this work, we rigorously investigate the robustness of graph neural fractional-order differential equation (FDE) models. This framework extends beyond traditional graph neural (integer-order) ordinary differential equation (ODE) models by implementing the time-fractional Caputo derivative. Utilizing fractional calculus allows our model to consider long-term memory during the feature updating process, diverging from the memoryless Markovian updates seen in traditional graph neural ODE models. The superiority of graph neural FDE models over graph neural ODE models has been established in environments free from attacks or perturbations. While traditional graph neural ODE models have been verified to possess a degree of stability and resilience in the presence of adversarial attacks in existing literature, the robustness of graph neural FDE models, especially under adversarial conditions, remains largely unexplored. This paper undertakes a detailed assessment of the robustness of graph neural FDE models. We establish a theoretical foundation outlining the robustness characteristics of graph neural FDE models, highlighting that they maintain more stringent output perturbation bounds in the face of input and graph topology disturbances, compared to their integer-order counterparts. Our empirical evaluations further confirm the enhanced robustness of graph neural FDE models, highlighting their potential in adversarially robust applications.
The stability-plasticity dilemma is a major challenge in continual learning, as it involves balancing the conflicting objectives of maintaining performance on previous tasks while learning new tasks. In this paper, we propose the recalloriented continual learning framework to address this challenge. Inspired by the human brain’s ability to separate the mechanisms responsible for stability and plasticity, our framework consists of a two-level architecture where an inference network effectively acquires new knowledge and a generative network recalls past knowledge when necessary. In particular, to maximize the stability of past knowledge, we investigate the complexity of knowledge depending on different representations, and thereby introducing generative adversarial meta-model (GAMM) that incrementally learns task-specific parameters instead of input data samples of the task. Through our experiments, we show that our framework not only effectively learns new knowledge without any disruption but also achieves high stability of previous knowledge in both task-aware and task-agnostic learning scenarios. Our code is available at: https://github.com/bigdata-inha/recall-orientedcl-framework.
Measuring Self-Supervised Representation Quality for Downstream Classification Using Discriminative Features
PDF ↗Self-supervised learning (SSL) has shown impressive results in downstream classification tasks. However, there is limited work in understanding their failure modes and interpreting their learned representations. In this paper, we study the representation space of state-of-the-art self-supervised models including SimCLR, SwaV, MoCo, BYOL, DINO, SimSiam, VICReg and Barlow Twins. Without the use of class label information, we discover discriminative features that correspond to unique physical attributes in images, present mostly in correctly-classified representations. Using these features, we can compress the representation space by up to$40% without significantly affecting linear classification performance. We then propose Self-Supervised Representation Quality Score (or Q-Score), an unsupervised score that can reliably predict if a given sample is likely to be mis-classified during linear evaluation, achieving AUPRC of 91.45 on ImageNet-100 and 78.78 on ImageNet-1K. Q-Score can also be used as a regularization term on pre-trained encoders to remedy low-quality representations. Fine-tuning with Q-Score regularization can boost the linear probing accuracy of SSL models by up to 5.8% on ImageNet-100 and 3.7% on ImageNet-1K compared to their baselines. Finally, using gradient heatmaps and Salient ImageNet masks, we define a metric to quantify the interpretability of each representation. We show that discriminative features are strongly correlated to core attributes and, enhancing these features through Q-score regularization makes SSL representations more interpretable.