ICLR 2025 Papers

Machine learning models often have uneven performance among subpopulations (a.k.a., groups) in the data distributions. This poses a significant challenge for the models to generalize when the proportions of the groups shift during deployment. To improve robustness to such shifts, existing approaches have developed strategies that train models or perform hyperparameter tuning using the group-labeled data to minimize the worst-case loss over groups. However, a non-trivial amount of high-quality labels is often required to obtain noticeable improvements. Given the costliness of the labels, we propose to adopt a different paradigm to enhance group label efficiency: utilizing the group-labeled data as a target set to optimize the weights of other group-unlabeled data. We introduce Group-robust Sample Reweighting (GSR), a two-stage approach that first learns the representations from group-unlabeled data, and then tinkers the model by iteratively retraining its last layer on the reweighted data using influence functions. Our GSR is theoretically sound, practically lightweight, and effective in improving the robustness to sub- population shifts. In particular, GSR outperforms the previous state-of-the-art approaches that require the same amount or even more group labels. Our code is available at https://github.com/qiaoruiyt/GSR.

Transformer models have demonstrated exceptional performance across a wide range of applications. Though forming the foundation of Transformer models, the dot-product attention does not scale well to long-context data since its time requirement grows quadratically with context length. In this work, we propose Radar, a training-free approach that accelerates inference by dynamically searching for the most important context tokens. For any pre-trained Transformer, Radar can reduce the decoding time complexity without training or heuristically evicting tokens. Moreover, we provide theoretical justification for our approach, demonstrating that Radar can reliably identify the most important tokens with high probability. We conduct extensive comparisons with the previous methods on a wide range of tasks. The results demonstrate that Radar achieves the state-of-the-art performance across different architectures with reduced time complexity, offering a practical solution for efficient long-context processing of Transformers. The code is publicly available at https://github.com/BorealisAI/radar-decoding.

The problem of pre-training data detection for large language models (LLMs) has received growing attention due to its implications in critical issues like copyright violation and test data contamination. Despite improved performance, existing methods (including the state-of-the-art, Min-K%) are mostly developed upon simple heuristics and lack solid, reasonable foundations. In this work, we propose a novel and theoretically motivated methodology for pre-training data detection, named Min-K%++. Specifically, we present a key insight that training samples tend to be local maxima of the modeled distribution along each input dimension through maximum likelihood training, which in turn allow us to insightfully translate the problem into identification of local maxima. Then, we design our method accordingly that works under the discrete distribution modeled by LLMs, whose core idea is to determine whether the input forms a mode or has relatively high probability under the conditional categorical distribution. Empirically, the proposed method achieves new SOTA performance across multiple settings (evaluated with 5 families of 10 models and 2 benchmarks). On the WikiMIA benchmark, Min-K%++ outperforms the runner-up by 6.2% to 10.5% in detection AUROC averaged over five models. On the more challenging MIMIR benchmark, it consistently improves upon reference-free methods while performing on par with reference-based method that requires an extra reference model.

The generation and simulation of diverse real-world scenes have significant application value in the field of autonomous driving, especially for the corner cases. Recently, researchers have explored employing neural radiance fields or diffusion models to generate novel views or synthetic data under driving scenes. However, these approaches suffer from unseen scenes or restricted video length, thus lacking sufficient adaptability for data generation and simulation. To address these issues, we propose a simple yet effective framework, named Glad, to generate video data in a frame-by-frame style. To ensure the temporal consistency of synthetic video, we introduce a latent variable propagation module, which views the latent features of previous frame as noise prior and injects it into the latent features of current frame. In addition, we design a streaming data sampler to orderly sample the original image in a video clip at continuous iterations. Given the reference frame, our Glad can be viewed as a streaming simulator by generating the videos for specific scenes. Extensive experiments are performed on the widely-used nuScenes dataset. Experimental results demonstrate that our proposed Glad achieves promising performance, serving as a strong baseline for online video generation. We will release the source code and models publicly.

Several medical Multimodal Large Languange Models (MLLMs) have been developed to address tasks involving visual images with textual instructions across various medical modalities, achieving impressive results. Most current medical generalist models are region-agnostic, treating the entire image as a holistic representation. However, they struggle to identify which specific regions they are focusing on when generating a sentence. To mimic the behavior of doctors, who typically begin by reviewing the entire image before concentrating on specific regions for a thorough evaluation, we aim to enhance the capability of medical MLLMs in understanding anatomical regions within entire medical scans. To achieve it, we first formulate \textbf{Region-Centric tasks} and construct a \textbf{large-scale dataset, MedRegInstruct,} to incorporate regional information into training. Combining our collected dataset with other medical multimodal corpora for training, we propose a \textbf{Region-Aware medical MLLM, MedRegA}, which is the first bilingual generalist medical AI system to simultaneously handle image-level and region-level medical vision-language tasks across a broad range of modalities. Our MedRegA not only enables three region-centric tasks, but also achieves the best performance for visual question answering, report generation and medical image classification over 8 modalities, showcasing significant versatility. Experiments demonstrate that our model can not only accomplish powerful performance across various medical vision-language tasks in bilingual settings, but also recognize and detect structures in multimodal medical scans, boosting the interpretability and user interactivity of medical MLLMs. The codes and model will be made publicly available.

Score-based diffusion models have recently emerged as state-of-the-art generative models for a variety of data modalities. Nonetheless, it remains unclear how to adapt these models to generate long multivariate time series. Viewing a time series as the discretisation of an underlying continuous process, we introduce SigDiffusion, a novel diffusion model operating on log-signature embeddings of the data. The forward and backward processes gradually perturb and denoise log-signatures while preserving their algebraic structure. To recover a signal from its log-signature, we provide new closed-form inversion formulae expressing the coefficients obtained by expanding the signal in a given basis (e.g. Fourier or orthogonal polynomials) as explicit polynomial functions of the log-signature. Finally, we show that combining SigDiffusions with these inversion formulae results in high-quality long time series generation, competitive with the current state-of-the-art on various datasets of synthetic and real-world examples.

In this paper, we study the clustering problems in the learning-augmented setting, where predicted labels for a d-dimensional dataset with size m are given by an oracle to serve as auxiliary information to improve the clustering performance. Following the prior work, the given oracle is parameterized by some error rate α, which captures the accuracy of the oracle such that there are at most α fraction of false positives and false negatives in each predicted cluster. In this setting, the goal is to design fast and practical algorithms that can break the computational barriers of inapproximability. The current state-of-the-art learning-augmented k-means algorithm relies on sorting strategies to find good coordinates approximation, where a (1+O(α))-approximation can be achieved with near-linear running time in the data size. However, the computational demands for sorting may limit the scalability of the algorithm for handling large-scale datasets. To address this issue, in this paper, we propose new algorithms that can identify good coordinates approximation using sampling-based strategies, where (1+O(α))-approximation can be achieved with linear running time in the data size. To obtain a more practical algorithm for the problem with better clustering quality and running time, we propose a sampling-based heuristic which can directly find center approximations using sampling-based strategies. Empirical experiments show that our proposed methods are faster than the state-of-the-art learning-augmented k-means algorithms with comparable performances on clustering quality.

Weight space learning aims to extract information about a neural network, such as its training dataset or generalization error. Recent approaches learn directly from model weights, but this presents many challenges as weights are high-dimensional and include permutation symmetries between neurons. An alternative approach, Probing, represents a model by passing a set of learned inputs (probes) through the model, and training a predictor on top of the corresponding outputs. Although probing is typically not used as a stand alone approach, our preliminary experiment found that a vanilla probing baseline worked surprisingly well. However, we discover that current probe learning strategies are ineffective. We therefore propose Deep Linear Probe Generators (ProbeGen), a simple and effective modification to probing approaches. ProbeGen adds a shared generator module with a deep linear architecture, providing an inductive bias towards structured probes thus reducing overfitting. While simple, ProbeGen performs significantly better than the state-of-the-art and is very efficient, requiring between 30 to 1000 times fewer FLOPs than other top approaches.

Decentralized collaborative learning under data heterogeneity and privacy constraints has rapidly advanced. However, existing solutions like federated learning, ensembles, and transfer learning, often fail to adequately serve the unique needs of clients, especially when local data representation is limited. To address this issue, we propose a novel framework called Query-based Knowledge Transfer (QKT) that enables tailored knowledge acquisition to fulfill specific client needs without direct data exchange. It employs a data-free masking strategy to facilitate the communication-efficient query-focused knowledge transformation while refining task-specific parameters to mitigate knowledge interference and forgetting. Our experiments, conducted on both standard and clinical benchmarks, show that QKT significantly outperforms existing collaborative learning methods by an average of 20.91% points in single-class query settings and an average of 14.32% points in multi-class query scenarios. Further analysis and ablation studies reveal that QKT effectively balances the learning of new and existing knowledge, showing strong potential for its application in decentralized learning.

We introduce a novel index, the Distribution of Cosine Similarity (DOCS), for quantitatively assessing the similarity between weight matrices in Large Language Models (LLMs), aiming to facilitate the analysis of their complex architectures. Leveraging DOCS, our analysis uncovers intriguing patterns in the latest open-source LLMs: adjacent layers frequently exhibit high weight similarity and tend to form clusters, suggesting depth-wise functional specialization. Additionally, we prove that DOCS is theoretically effective in quantifying similarity for orthogonal matrices, a crucial aspect given the prevalence of orthogonal initializations in LLMs. This research contributes to a deeper understanding of LLM architecture and behavior, offering tools with potential implications for developing more efficient and interpretable models.

Detecting training data for large language models (LLMs) is receiving growing attention, especially in applications requiring high reliability. While numerous efforts have been made to address this issue, they typically focus on accuracy without ensuring controllable results. To fill this gap, we propose **K**nockoff Inference-based **T**raining data **D**etector (KTD), a novel method that achieves rigorous false discovery rate (FDR) control in training data detection. Specifically, KTD generates synthetic knockoff samples that seamlessly replace original data points without compromising contextual integrity. A novel knockoff statistic, which incorporates multiple knockoff draws, is then calculated to ensure FDR control while maintaining high power. Our theoretical analysis demonstrates KTD's asymptotic optimality in terms of FDR control and power. Empirical experiments on real-world datasets such as WikiMIA, XSum and Real Time BBC News further validate KTD's superior performance compared to existing methods.

Large language models have demonstrated promising capabilities upon scaling up parameters. However, serving large language models incurs substantial computation and memory movement costs due to their large scale. Quantization methods have been employed to reduce service costs and latency. Nevertheless, outliers in activations hinder the development of INT4 weight-activation quantization. Existing approaches separate outliers and normal values into two matrices or migrate outliers from activations to weights, suffering from high latency or accuracy degradation. Based on observing activations from large language models, outliers can be classified into channel-wise and spike outliers. In this work, we propose Rotated Runtime Smooth (**RRS**), a plug-and-play activation smoother for quantization, consisting of Runtime Smooth and the Rotation operation. Runtime Smooth (**RS**) is introduced to eliminate **channel-wise outliers** by smoothing activations with channel-wise maximums during runtime. The Rotation operation can narrow the gap between **spike outliers** and normal values, alleviating the effect of victims caused by channel-wise smoothing. The proposed method outperforms the state-of-the-art method in the LLaMA and Qwen families and improves WikiText-2 perplexity from 57.33 to 6.66 for INT4 inference.

End-to-End Autonomous Driving (E2EAD) methods typically rely on supervised perception tasks to extract explicit scene information (e.g., objects, maps). This reliance necessitates expensive annotations and constrains deployment and data scalability in real-time applications. In this paper, we introduce SSR, a novel framework that utilizes only 16 navigation-guided tokens as Sparse Scene Representation, efficiently extracting crucial scene information for E2EAD. Our method eliminates the need for human-designed supervised sub-tasks, allowing computational resources to concentrate on essential elements directly related to navigation intent. We further introduce a temporal enhancement module, aligning predicted future scenes with actual future scenes through self-supervision. SSR achieves a 27.2\% relative reduction in L2 error and a 51.6\% decrease in collision rate to UniAD in nuScenes, with a 10.9× faster inference speed and 13× faster training time. Moreover, SSR outperforms VAD-Base with a 48.6-point improvement on driving score in CARLA's Town05 Long benchmark. This framework represents a significant leap in real-time autonomous driving systems and paves the way for future scalable deployment. Code is available at https://github.com/PeidongLi/SSR.

We introduce Fengbo, a pipeline entirely in Clifford Algebra to solve 3D partial differential equations (PDEs) specifically for computational fluid dynamics (CFD). Fengbo is an architecture composed of only 3D convolutional and Fourier Neural Operator (FNO) layers, all working in 3D Clifford Algebra. It models the PDE solution problem as an interpretable mapping from the geometry to the physics of the problem. Despite having just few layers, Fengbo achieves competitive accuracy, superior to 5 out of 6 proposed models reported in \cite{li2024geometry} for the $\emph{ShapeNet Car}$ dataset, and it does so with only 42 million trainable parameters, at a reduced computational complexity compared to graph-based methods, and estimating jointly pressure \emph{and} velocity fields. In addition, the output of each layer in Fengbo can be clearly visualised as objects and physical quantities in 3D space, making it a whitebox model. By leveraging Clifford Algebra and establishing a direct mapping from the geometry to the physics of the PDEs, Fengbo provides an efficient, geometry- and physics-aware approach to solving complex PDEs.

Recent researchers and companies have been developing large language models (LLMs) specifically designed for particular purposes and have achieved significant advancements in various natural language processing tasks. However, LLMs are still prone to generating hallucinations—results that are unfaithful or inconsistent with the given input. As a result, the need for datasets to evaluate and demonstrate the hallucination detection capabilities of LLMs is increasingly recognized. Nonetheless, the Korean NLP community lacks publicly available benchmark datasets demonstrating the faithfulness of knowledge-based information. Furthermore, the few existing datasets that evaluate hallucination are limited in their access to the entire dataset, restricting detailed analysis beyond simple scoring, and are based on translated English knowledge. To address these challenges, we introduce K-HALU, a Korean benchmark designed to evaluate LLMs' hallucination detection in Korean. This benchmark contains seven domains, considering the faithfulness of statements based on knowledge documents compiled from Korean news, magazines, and books. For more strict evaluation, 40% of the dataset is structured as multiple-answer questions, requiring models to select all possible correct answers from the given options. Our empirical results show that open-source LLMs still struggle with hallucination detection in Korean knowledge, emphasizing the need for a more detailed analysis of their limitations.

The outstanding performance of large foundational models across diverse tasks, from computer vision to speech and natural language processing, has significantly increased their demand. However, storing and transmitting these models poses significant challenges due to their massive size (e.g., 750GB for Llama 3.1 405B). Recent literature has focused on compressing the original weights or reducing the number of parameters required for fine-tuning these models. These compression methods generally constrain the parameter space, for example, through low-rank reparametrization (e.g., LoRA), pruning, or quantization (e.g., QLoRA) during or after the model training. In this paper, we present a novel model compres- sion method, which we term Manifold-Constrained Neural Compression (MCNC). This method constrains the parameter space to low-dimensional pre-defined and frozen nonlinear manifolds, which effectively cover this space. Given the preva- lence of good solutions in over-parameterized deep neural networks, we show that by constraining the parameter space to our proposed manifold, we can identify high-quality solutions while achieving unprecedented compression rates across a wide variety of tasks and architectures. Through extensive experiments in computer vision and natural language processing tasks, we demonstrate that our method significantly outperforms state-of-the-art baselines in terms of compres- sion, accuracy, and/or model reconstruction time. Our code is publicly available at https://github.com/mint-vu/MCNC.

Risk-sensitive linear quadratic regulator is one of the most fundamental problems in risk-sensitive optimal control. In this paper, we study online adaptive control of risk-sensitive linear quadratic regulator in the finite horizon episodic setting. We propose a simple least-squares greedy algorithm and show that it achieves $\widetilde{\mathcal{O}}(\log N)$ regret under a specific identifiability assumption, where $N$ is the total number of episodes. If the identifiability assumption is not satisfied, we propose incorporating exploration noise into the least-squares-based algorithm, resulting in an algorithm with $\widetilde{\mathcal{O}}(\sqrt{N})$ regret. To our best knowledge, this is the first set of regret bounds for episodic risk-sensitive linear quadratic regulator. Our proof relies on perturbation analysis of less-standard Riccati equations for risk-sensitive linear quadratic control, and a delicate analysis of the loss in the risk-sensitive performance criterion due to applying the suboptimal controller in the online learning process.

Most active learning research has focused on methods which perform well when many labels are available, but can be dramatically worse than random selection when label budgets are small. Other methods have focused on the low-budget regime, but do poorly as label budgets increase. As the line between "low" and "high" budgets varies by problem, this is a serious issue in practice. We propose *uncertainty coverage*, an objective which generalizes a variety of low- and high-budget objectives, as well as natural, hyperparameter-light methods to smoothly interpolate between low- and high-budget regimes. We call greedy optimization of the estimate Uncertainty Herding; this simple method is computationally fast, and we prove that it nearly optimizes the distribution-level coverage. In experimental validation across a variety of active learning tasks, our proposal matches or beats state-of-the-art performance in essentially all cases; it is the only method of which we are aware that reliably works well in both low- and high-budget settings.

Vehicle trajectory prediction is a crucial aspect of autonomous driving, which requires extensive trajectory data to train prediction models to understand the complex, varied, and unpredictable patterns of vehicular interactions. However, acquiring real-world data is expensive, so we advocate using Large Language Models (LLMs) to generate abundant and realistic trajectories of interacting vehicles efficiently. These models rely on textual descriptions of vehicle-to-vehicle interactions on a map to produce the trajectories. We introduce Trajectory-LLM (Traj-LLM), a new approach that takes brief descriptions of vehicular interactions as input and generates corresponding trajectories. Unlike language-based approaches that translate text directly to trajectories, Traj-LLM uses reasonable driving behaviors to align the vehicle trajectories with the text. This results in an "interaction-behavior-trajectory" translation process. We have also created a new dataset, Language-to-Trajectory (L2T), which includes 240K textual descriptions of vehicle interactions and behaviors, each paired with corresponding map topologies and vehicle trajectory segments. By leveraging the L2T dataset, Traj-LLM can adapt interactive trajectories to diverse map topologies. Furthermore, Traj-LLM generates additional data that enhances downstream prediction models, leading to consistent performance improvements across public benchmarks. The source code is released at https://github.com/TJU-IDVLab/Traj-LLM.