Classifying Long-tailed and Label-noise Data via Disentangling and Unlearning

In real-world datasets, the challenges of long-tailed distributions and noisy labels often coexist, posing obstacles to the model training and performance. Existing studies on long-tailed noisy label learning (LTNLL) typically assume that the generation of noisy labels is independent of the long-tailed distribution, which may not be true from a practical perspective. In real-world situaiton, we observe that the tail class samples are more likely to be mislabeled as head, exacerbating the original degree of imbalance. We call this phenomenon as ``tail-to-head (T2H)'' noise. T2H noise severely degrades model performance by polluting the head classes and forcing the model to learn the tail samples as head. To address this challenge, we investigate the dynamic misleading process of the nosiy labels and propose a novel method called Disentangling and Unlearning for Long-tailed and Label-noisy data (DULL). It first employs the Inner-Feature Disentangling (IFD) to disentangle feature internally. Based on this, the Inner-Feature Partial Unlearning (IFPU) is then applied to weaken and unlearn incorrect feature regions correlated to wrong classes. This method prevents the model from being misled by noisy labels, enhancing the model's robustness against noise. To provide a controlled experimental environment, we further propose a new noise addition algorithm to simulate T2H noise. Extensive experiments on both simulated and real-world datasets demonstrate the effectiveness of our proposed method.

GRU: Mitigating the Trade-off between Unlearning and Retention for Large Language Models

Large language model (LLM) unlearning has demonstrated its essential role in removing privacy and copyright-related responses, crucial for their legal and safe applications. However, the pursuit of complete unlearning often comes with substantial costs due to its compromises in their general functionality, leading to a notorious trade-off between unlearning and retention. In examining the update process for unlearning dynamically, we find gradients hold essential information for revealing this trade-off. In particular, we look at the varying relationship between retention performance and directional disparities between gradients during unlearning. It motivates the sculpting of an update mechanism derived from gradients from two sources, i.e., harmful for retention and useful for unlearning. Accordingly, we propose Gradient Rectified Unlearning (GRU), an enhanced unlearning framework controlling the updating gradients in a geometry-focused and optimization-driven manner such that their side impacts on other, unrelated responses can be minimized. Specifically, GRU derives a closed-form solution to project the unlearning gradient onto the orthogonal space of that gradient harmful for retention, ensuring minimal deviation from its original direction under the condition that overall performance is retained. Comprehensive experiments are conducted to demonstrate that GRU, as a general framework, is straightforward to implement and efficiently enhances a range of baseline methods through its adaptable and compatible characteristics. Additionally, experimental results show its broad effectiveness across a diverse set of benchmarks for LLM unlearning.

Can Large Language Models Help Experimental Design for Causal Discovery?

Designing proper experiments and selecting optimal intervention targets is a longstanding problem in scientific or causal discovery. Identifying the underlying causal structure from observational data alone is inherently difficult. Obtaining interventional data, on the other hand, is crucial to causal discovery, yet it is usually expensive and time-consuming to gather sufficient interventional data to facilitate causal discovery. Previous approaches commonly utilize uncertainty or gradient signals to determine the intervention targets. However, numerical-based approaches may yield suboptimal results due to the inaccurate estimation of the guiding signals at the beginning when with limited interventional data. In this work, we investigate a different approach, whether we can leverage Large Language Models (LLMs) to assist with the intervention targeting in causal discovery by making use of the rich world knowledge about the experimental design in LLMs. Specifically, we present Large Language Model Guided Intervention Targeting (LeGIT) -- a robust framework that effectively incorporates LLMs to augment existing numerical approaches for the intervention targeting in causal discovery. Across 4 realistic benchmark scales, LeGIT demonstrates significant improvements and robustness over existing methods and even surpasses humans, which demonstrates the usefulness of LLMs in assisting with experimental design for scientific discovery.

Rethinking LLM Unlearning Objectives: A Gradient Perspective and Go Beyond

Large language models (LLMs) should undergo rigorous audits to identify potential risks, such as copyright and privacy infringements. Once these risks emerge, timely updates are crucial to remove undesirable responses, ensuring legal and safe model usage. It has spurred recent research into LLM unlearning, focusing on erasing targeted undesirable knowledge without compromising the integrity of other, non-targeted responses. Existing studies have introduced various unlearning objectives to pursue LLM unlearning without necessitating complete retraining. However, each of these objectives has unique properties, and no unified framework is currently available to comprehend them thoroughly. To fill the gap, we propose a toolkit of the gradient effect (G-effect), quantifying the impacts of unlearning objectives on model performance from a gradient perspective. A notable advantage is its broad ability to detail the unlearning impacts from various aspects across instances, updating steps, and LLM layers. Accordingly, the G-effect offers new insights into identifying drawbacks of existing unlearning objectives, further motivating us to explore a series of new solutions for their mitigation and improvements. Finally, we outline promising directions that merit further studies, aiming at contributing to the community to advance this important field.

Accurate Forgetting for Heterogeneous Federated Continual Learning

Recent years have witnessed a burgeoning interest in federated learning (FL). However, the contexts in which clients engage in sequential learning remain under-explored. Bridging FL and continual learning (CL) gives rise to a challenging practical problem: federated continual learning (FCL). Existing research in FCL primarily focuses on mitigating the catastrophic forgetting issue of continual learning while collaborating with other clients. We argue that the forgetting phenomena are not invariably detrimental. In this paper, we consider a more practical and challenging FCL setting characterized by potentially unrelated or even antagonistic data/tasks across different clients. In the FL scenario, statistical heterogeneity and data noise among clients may exhibit spurious correlations which result in biased feature learning. While existing CL strategies focus on a complete utilization of previous knowledge, we found that forgetting biased information is beneficial in our study. Therefore, we propose a new concept accurate forgetting (AF) and develop a novel generative-replay method~\method~which selectively utilizes previous knowledge in federated networks. We employ a probabilistic framework based on a normalizing flow model to quantify the credibility of previous knowledge. Comprehensive experiments affirm the superiority of our method over baselines.

Noisy Test-Time Adaptation in Vision-Language Models

Test-time adaptation (TTA) aims to address distribution shifts between source and target data by relying solely on target data during testing. In open-world scenarios, models often encounter noisy samples, i.e., samples outside the in-distribution (ID) label space. Leveraging the zero-shot capability of pre-trained vision-language models (VLMs), this paper introduces Zero-Shot Noisy TTA (ZS-NTTA), focusing on adapting the model to target data with noisy samples during test-time in a zero-shot manner. We find existing TTA methods underperform under ZS-NTTA, often lagging behind even the frozen model. We conduct comprehensive experiments to analyze this phenomenon, revealing that the negative impact of unfiltered noisy data outweighs the benefits of clean data during model updating. Also, adapting a classifier for ID classification and noise detection hampers both sub-tasks. Built on this, we propose a framework that decouples the classifier and detector, focusing on developing an individual detector while keeping the classifier frozen. Technically, we introduce the Adaptive Noise Detector (AdaND), which utilizes the frozen model's outputs as pseudo-labels to train a noise detector. To handle clean data streams, we further inject Gaussian noise during adaptation, preventing the detector from misclassifying clean samples as noisy. Beyond the ZS-NTTA, AdaND can also improve the zero-shot out-of-distribution (ZS-OOD) detection ability of VLMs. Experiments show that AdaND outperforms in both ZS-NTTA and ZS-OOD detection. On ImageNet, AdaND achieves a notable improvement of $8.32\%$ in harmonic mean accuracy ($\text{Acc}_\text{H}$) for ZS-NTTA and $9.40\%$ in FPR95 for ZS-OOD detection, compared to SOTA methods. Importantly, AdaND is computationally efficient and comparable to the model-frozen method. The code is publicly available at: https://github.com/tmlr-group/ZS-NTTA.

Fast and Accurate Blind Flexible Docking

Molecular docking that predicts the bound structures of small molecules (ligands) to their protein targets, plays a vital role in drug discovery. However, existing docking methods often face limitations: they either overlook crucial structural changes by assuming protein rigidity or suffer from low computational efficiency due to their reliance on generative models for structure sampling. To address these challenges, we propose FABFlex, a fast and accurate regression-based multi-task learning model designed for realistic blind flexible docking scenarios, where proteins exhibit flexibility and binding pocket sites are unknown (blind). Specifically, FABFlex's architecture comprises three specialized modules working in concert: (1) A pocket prediction module that identifies potential binding sites, addressing the challenges inherent in blind docking scenarios. (2) A ligand docking module that predicts the bound (holo) structures of ligands from their unbound (apo) states. (3) A pocket docking module that forecasts the holo structures of protein pockets from their apo conformations. Notably, FABFlex incorporates an iterative update mechanism that serves as a conduit between the ligand and pocket docking modules, enabling continuous structural refinements. This approach effectively integrates the three subtasks of blind flexible docking-pocket identification, ligand conformation prediction, and protein flexibility modeling-into a unified, coherent framework. Extensive experiments on public benchmark datasets demonstrate that FABFlex not only achieves superior effectiveness in predicting accurate binding modes but also exhibits a significant speed advantage (208 $\times$) compared to existing state-of-the-art methods. Our code is released at https://github.com/tmlr-group/FABFlex.

One-shot Federated Learning Methods: A Practical Guide

One-shot Federated Learning (OFL) is a distributed machine learning paradigm that constrains client-server communication to a single round, addressing privacy and communication overhead issues associated with multiple rounds of data exchange in traditional Federated Learning (FL). OFL demonstrates the practical potential for integration with future approaches that require collaborative training models, such as large language models (LLMs). However, current OFL methods face two major challenges: data heterogeneity and model heterogeneity, which result in subpar performance compared to conventional FL methods. Worse still, despite numerous studies addressing these limitations, a comprehensive summary is still lacking. To address these gaps, this paper presents a systematic analysis of the challenges faced by OFL and thoroughly reviews the current methods. We also offer an innovative categorization method and analyze the trade-offs of various techniques. Additionally, we discuss the most promising future directions and the technologies that should be integrated into the OFL field. This work aims to provide guidance and insights for future research.

Enhancing Sample Selection by Cutting Mislabeled Easy Examples

Sample selection is a prevalent approach in learning with noisy labels, aiming to identify confident samples for training. Although existing sample selection methods have achieved decent results by reducing the noise rate of the selected subset, they often overlook that not all mislabeled examples harm the model's performance equally. In this paper, we demonstrate that mislabeled examples correctly predicted by the model early in the training process are particularly harmful to model performance. We refer to these examples as Mislabeled Easy Examples (MEEs). To address this, we propose Early Cutting, which introduces a recalibration step that employs the model's later training state to re-select the confident subset identified early in training, thereby avoiding misleading confidence from early learning and effectively filtering out MEEs. Experiments on the CIFAR, WebVision, and full ImageNet-1k datasets demonstrate that our method effectively improves sample selection and model performance by reducing MEEs.

Instance-dependent Early Stopping

In machine learning practice, early stopping has been widely used to regularize models and can save computational costs by halting the training process when the model's performance on a validation set stops improving. However, conventional early stopping applies the same stopping criterion to all instances without considering their individual learning statuses, which leads to redundant computations on instances that are already well-learned. To further improve the efficiency, we propose an Instance-dependent Early Stopping (IES) method that adapts the early stopping mechanism from the entire training set to the instance level, based on the core principle that once the model has mastered an instance, the training on it should stop. IES considers an instance as mastered if the second-order differences of its loss value remain within a small range around zero. This offers a more consistent measure of an instance's learning status compared with directly using the loss value, and thus allows for a unified threshold to determine when an instance can be excluded from further backpropagation. We show that excluding mastered instances from backpropagation can increase the gradient norms, thereby accelerating the decrease of the training loss and speeding up the training process. Extensive experiments on benchmarks demonstrate that IES method can reduce backpropagation instances by 10%-50% while maintaining or even slightly improving the test accuracy and transfer learning performance of a model.