ICLR 2025 Papers

The application of large deep learning models in weather forecasting has led to significant advancements in the field, including higher-resolution forecasting and extended prediction periods exemplified by models such as Pangu and Fuxi. Despite these successes, previous research has largely been characterized by the neglect of extreme weather events, and the availability of datasets specifically curated for such events remains limited. Given the critical importance of accurately forecasting extreme weather, this study introduces a comprehensive dataset that incorporates high-resolution extreme weather cases derived from the High-Resolution Rapid Refresh (HRRR) data, a 3-km real-time dataset provided by NOAA. We also evaluate the current state-of-the-art deep learning models and Numerical Weather Prediction (NWP) systems on HR-Extreme, and provide a improved baseline deep learning model called HR-Heim which has superior performance on both general loss and HR-Extreme compared to others. Our results reveal that the errors of extreme weather cases are significantly larger than overall forecast error, highlighting them as an crucial source of loss in weather prediction. These findings underscore the necessity for future research to focus on improving the accuracy of extreme weather forecasts to enhance their practical utility

In this paper, we introduce Plug-and-Play (PnP) Flow Matching, an algorithm for solving imaging inverse problems. PnP methods leverage the strength of pre-trained denoisers, often deep neural networks, by integrating them in optimization schemes. While they achieve state-of-the-art performance on various inverse problems in imaging, PnP approaches face inherent limitations on more generative tasks like inpainting. On the other hand, generative models such as Flow Matching pushed the boundary in image sampling yet lack a clear method for efficient use in image restoration. We propose to combine the PnP framework with Flow Matching (FM) by defining a time-dependent denoiser using a pre-trained FM model. Our algorithm alternates between gradient descent steps on the data-fidelity term, reprojections onto the learned FM path, and denoising. Notably, our method is computationally efficient and memory-friendly, as it avoids backpropagation through ODEs and trace computations. We evaluate its performance on denoising, super-resolution, deblurring, and inpainting tasks, demonstrating superior results compared to existing PnP algorithms and Flow Matching based state-of-the-art methods. Code available at https://github.com/annegnx/PnP-Flow.

Large language models memorize parts of their training data. Memorizing short snippets and facts is required to answer questions about the world and to be fluent in any language. But models have also been shown to reproduce long verbatim sequences of memorized text when prompted by a motivated adversary. In this work, we investigate an intermediate regime of memorization that we call non-adversarial reproduction, where we quantify the overlap between model responses and pretraining data when responding to natural and benign prompts. For a variety of innocuous prompt categories (e.g., writing a letter or a tutorial), we show that up to 15% of the text output by popular conversational language models overlaps with snippets from the Internet. In worst cases, we find generations where 100% of the content can be found exactly online. For the same tasks, we find that human-written text has far less overlap with Internet data. We further study whether prompting strategies can close this reproduction gap between models and humans. While appropriate prompting can reduce non-adversarial reproduction on average, we find that mitigating worst-case reproduction of training data requires stronger defenses—even for benign interactions.

Incompressible fluid on the surface is an interesting research area in the fluid simulation, which is the fundamental building block in visual effects, design of liquid crystal films, scientific analyses of atmospheric and oceanic phenomena, etc. The task brings two key challenges: the extension of the physical laws on 3D surfaces and the preservation of the energy and volume. Traditional methods rely on grids or meshes for spatial discretization, which leads to high memory consumption and a lack of robustness and adaptivity for various mesh qualities and representations. Many implicit representations based simulators like INSR are proposed for the storage efficiency and continuity, but they face challenges in the surface simulation and the energy dissipation. We propose a neural physical simulation framework on the surface with the implicit neural representation. Our method constructs a parameterized vector field with the exterior calculus and Closest Point Method on the surfaces, which guarantees the divergence-free property and enables the simulation on different surface representations (e.g. implicit neural represented surfaces). We further adopt a corresponding covariant derivative based advection process for surface flow dynamics and energy preservation. Our method shows higher accuracy, flexibility and memory-efficiency in the simulations of various surfaces with low energy dissipation. Numerical studies also highlight the potential of our framework across different practical applications such as vorticity shape generation and vector field Helmholtz decomposition.

Post-hoc importance attribution methods are a popular tool for “explaining” Deep Neural Networks (DNNs) and are inherently based on the assumption that the explanations can be applied independently of how the models were trained. Contrarily, in this work we bring forward empirical evidence that challenges this very notion. Surprisingly, we discover a strong dependency on and demonstrate that the training details of a pre-trained model’s classification layer (<10% of model parameters) play a crucial role, much more than the pre-training scheme itself. This is of high practical relevance: (1) as techniques for pre-training models are becoming increasingly diverse, understanding the interplay between these techniques and attribution methods is critical; (2) it sheds light on an important yet overlooked assumption of post-hoc attribution methods which can drastically impact model explanations and how they are interpreted eventually. With this finding we also present simple yet effective adjustments to the classification layers, that can significantly enhance the quality of model explanations. We validate our findings across several visual pre-training frameworks (fully-supervised, self-supervised, contrastive vision-language training) and analyse how they impact explanations for a wide range of attribution methods on a diverse set of evaluation metrics.

This paper investigates an open research challenge of reconstructing high-quality, large-scale 3D open scenes from images. It is observed existing methods have various limitations, such as requiring precise camera poses for input and dense viewpoints for supervision. To perform effective and efficient 3D scene reconstruction, we propose a novel graph-guided 3D scene reconstruction framework, GraphGS. Specifically, given a set of images captured by RGB cameras on a scene, we first design a spatial prior-based scene structure estimation method. This is then used to create a camera graph that includes information about the camera topology. Further, we propose to apply the graph-guided multi-view consistency constraint and adaptive sampling strategy to the 3D Gaussian Splatting optimization process. This greatly alleviates the issue of Gaussian points overfitting to specific sparse viewpoints and expedites the 3D reconstruction process. We demonstrate GraphGS achieves high-fidelity 3D reconstruction from images, which presents state-of-the-art performance through quantitative and qualitative evaluation across multiple datasets.

Estimating the ratio of two probability densities from a finite number of observations is a central machine learning problem. A common approach is to construct estimators using binary classifiers that distinguish observations from the two densities. However, the accuracy of these estimators depends on the choice of the binary loss function, raising the question of which loss function to choose based on desired error properties. For example, traditional loss functions, such as logistic or boosting loss, prioritize accurate estimation of small density ratio values over large ones, even though the latter are more critical in many applications. In this work, we start with prescribed error measures in a class of Bregman divergences and characterize all loss functions that result in density ratio estimators with small error. Our characterization extends results on composite binary losses from Reid & Williamson (2010) and their connection to density ratio estimation as identified by Menon & Ong (2016). As a result, we obtain a simple recipe for constructing loss functions with certain properties, such as those that prioritize an accurate estimation of large density ratio values. Our novel loss functions outperform related approaches for resolving parameter choice issues of 11 deep domain adaptation algorithms in average performance across 484 real-world tasks including sensor signals, texts, and images.

Consistency distillation is a prevalent way for accelerating diffusion models adopted in consistency (trajectory) models, in which a student model is trained to traverse backward on the probability flow (PF) ordinary differential equation (ODE) trajectory determined by the teacher model. Preconditioning is a vital technique for stabilizing consistency distillation, by linear combining the input data and the network output with pre-defined coefficients as the consistency function. It imposes the boundary condition of consistency functions without restricting the form and expressiveness of the neural network. However, previous preconditionings are hand-crafted and may be suboptimal choices. In this work, we offer the first theoretical insights into the preconditioning in consistency distillation, by elucidating its design criteria and the connection to the teacher ODE trajectory. Based on these analyses, we further propose a principled way dubbed \textit{Analytic-Precond} to analytically optimize the preconditioning according to the consistency gap (defined as the gap between the teacher denoiser and the optimal student denoiser) on a generalized teacher ODE. We demonstrate that Analytic-Precond can facilitate the learning of trajectory jumpers, enhance the alignment of the student trajectory with the teacher's, and achieve $2\times$ to $3\times$ training acceleration of consistency trajectory models in multi-step generation across various datasets.

The objective of the collaborative perception task is to enhance the individual agent's perception capability through message communication among neighboring agents. A central challenge lies in optimizing the inherent trade-off between perception ability and communication cost. To tackle this bottleneck issue, we argue that a good message unit should encapsulate both semantic and structural information in a sparse format, a feature not present in prior approaches. In this paper, we innovatively propose a compact message unit, namely point cluster, whose core idea is to represent potential objects efficiently with explicitly decoupled low-level structure information and high-level semantic information. Building upon this new message unit, we propose a comprehensive framework CPPC for communication-efficient collaborative perception. The core principle of CPPC is twofold: first, through strategical point sampling, structure information can be well preserved with a few key points, which can significantly reduce communication cost; second, the sequence format of point clusters enables efficient message aggregation by set matching and merging, thereby eliminating unnecessary computation generated when aligning squared BEV maps, especially for long-range collaboration. To handle time latency and pose errors encountered in real-world scenarios, we also carefully design parameter-free solutions that can adapt to different noisy levels without finetuning. Experiments on two widely recognized collaborative perception benchmarks showcase the superior performance of our method compared to the previous state-of-the-art approaches.

Invariant models, one important class of geometric deep learning models, are capable of generating meaningful geometric representations by leveraging informative geometric features in point clouds. These models are characterized by their simplicity, good experimental results and computational efficiency. However, their theoretical expressive power still remains unclear, restricting a deeper understanding of the potential of such models. In this work, we concentrate on characterizing the theoretical expressiveness of a wide range of invariant models under *fully-connected* conditions. We first rigorously characterize the expressiveness of the most classic invariant model, message-passing neural networks incorporating distance (DisGNN), restricting its unidentifiable cases to be only highly symmetric point clouds. We then prove that GeoNGNN, the geometric counterpart of one of the simplest subgraph graph neural networks, can effectively break these corner cases' symmetry and thus achieve E(3)-completeness. By leveraging GeoNGNN as a theoretical tool, we further prove that: 1) most subgraph GNNs developed in traditional graph learning can be seamlessly extended to geometric scenarios with E(3)-completeness; 2) DimeNet, GemNet and SphereNet, three well-established invariant models, are also all capable of achieving E(3)-completeness. Our theoretical results fill the gap in the expressive power of invariant models, contributing to a rigorous and comprehensive understanding of their capabilities.

Deep neural networks outperform kernel machines on several datasets due to feature learning that happens during gradient descent training. In this paper, we analyze the mechanism through which feature learning happens and use a notion of features that corresponds to discontinuities in the true label function. We hypothesize that the core feature learning mechanism is label function discontinuities attracting model function discontinuities during training. To test this hypothesis, we perform experiments on classification data where the true label function is given by an oblique decision tree. This setup allows easy enumeration of label function discontinuities, while still remaining intractable for static kernel/linear methods. We then design/construct a novel deep architecture called a Deep Linearly Gated Network (DLGN), whose discontinuities in the input space can be easily enumerated. In this setup, we provide supporting evidence demonstrating the movement of model function discontinuities towards the label function discontinuities during training. The easy enumerability of discontinuities in the DLGN also enables greater mechanistic interpretability. We demonstrate this by extracting the parameters of a high-accuracy decision tree from the parameters of a DLGN. We also show that the DLGN is competitive with ReLU networks and other tree-learning algorithms on several real-world tabular datasets.

We consider the combinatorial volatile Gaussian process (GP) semi-bandit problem. Each round, an agent is provided a set of available base arms and must select a subset of them to maximize the long-term cumulative reward. We study the Bayesian setting and provide novel Bayesian cumulative regret bounds for three GP-based algorithms: GP-UCB, GP-BayesUCB and GP-TS. Our bounds extend previous results for GP-UCB and GP-TS to the \emph{infinite}, \emph{volatile} and \emph{combinatorial} setting, and to the best of our knowledge, we provide the first regret bound for GP-BayesUCB. Volatile arms encompass other widely considered bandit problems such as contextual bandits. Furthermore, we employ our framework to address the challenging real-world problem of online energy-efficient navigation, where we demonstrate its effectiveness compared to the alternatives.

Machine learning models must continuously self-adjust themselves for novel data distribution in the open world. As the predominant principle, entropy minimization (EM) has been proven to be a simple yet effective cornerstone in existing test-time adaption (TTA) methods. While unfortunately its fatal limitation (i.e., overconfidence) tends to result in model collapse. For this issue, we propose to \textbf{\texttt{Co}}nservatively \textbf{\texttt{M}}inimize the \textbf{\texttt{E}}ntropy (\texttt{COME}), which is a simple drop-in replacement of traditional EM to elegantly address the limitation. In essence, \texttt{COME} explicitly models the uncertainty by characterizing a Dirichlet prior distribution over model predictions during TTA. By doing so, \texttt{COME} naturally regularizes the model to favor conservative confidence on unreliable samples. Theoretically, we provide a preliminary analysis to reveal the ability of \texttt{COME} in enhancing the optimization stability by introducing a data-adaptive lower bound on the entropy. Empirically, our method achieves state-of-the-art performance on commonly used benchmarks, showing significant improvements in terms of classification accuracy and uncertainty estimation under various settings including standard, life-long and open-world TTA, i.e., up to $34.5\%$ improvement on accuracy and $15.1\%$ on false positive rate. Our code is available at: \href{https://github.com/BlueWhaleLab/COME}{https://github.com/BlueWhaleLab/COME}.

Multimodal Large Language Models (MLLMs) frequently exhibit hallucination phenomena, but the underlying reasons remain poorly understood. In this paper, we present an empirical analysis and find that, although MLLMs incorrectly generate the objects in the final output, they are actually able to recognize visual objects in the preceding layers. We speculate that this may be due to the strong knowledge priors of the language model suppressing the visual information, leading to hallucinations. Motivated by this, we propose a novel dynamic correction decoding method for MLLMs DeCo, which adaptively selects the appropriate preceding layers and proportionally integrates knowledge into the final layer to adjust the output logits. Note that DeCo is model agnostic and can be seamlessly incorporated with various classic decoding strategies and applied to different MLLMs. We evaluate DeCo on widely-used benchmarks, demonstrating that it can reduce hallucination rates by a large margin compared to baselines, highlighting its potential to mitigate hallucinations. Code is available at https://github.com/zjunlp/DeCo.

Binary code analysis is the foundation of crucial tasks in the security domain; thus building effective binary analysis techniques is more important than ever. Large language models (LLMs) although have brought impressive improvement to source code tasks, do not directly generalize to assembly code due to the unique challenges of assembly: (1) the low information density of assembly and (2) the diverse optimizations in assembly code. To overcome these challenges, this work proposes a hierarchical attention mechanism that builds attention summaries to capture the semantics more effectively and designs contrastive learning objectives to train LLMs to learn assembly optimization. Equipped with these techniques, this work develops Nova, a generative LLM for assembly code. Nova outperforms existing techniques on binary code decompilation by up to 14.84 -- 21.58% higher Pass@1 and Pass@10, and outperforms the latest binary code similarity detection techniques by up to 6.17% Recall@1, showing promising abilities on both assembly generation and understanding tasks.

We present a new family of mobile hybrid vision networks, called iFormer, with a focus on optimizing latency and accuracy on mobile applications. iFormer effectively integrates the fast local representation capacity of convolution with the efficient global modeling ability of self-attention. The local interactions are derived from transforming a standard convolutional network, \textit{i.e.}, ConvNeXt, to design a more lightweight mobile network. Our newly introduced mobile modulation attention removes memory-intensive operations in MHA and employs an efficient modulation mechanism to boost dynamic global representational capacity. We conduct comprehensive experiments demonstrating that iFormer outperforms existing lightweight networks across various tasks. Notably, iFormer achieves an impressive Top-1 accuracy of 80.4% on ImageNet-1k with a latency of only 1.10 ms on an iPhone 13, surpassing the recently proposed MobileNetV4 under similar latency constraints. Additionally, our method shows significant improvements in downstream tasks, including COCO object detection, instance segmentation, and ADE20k semantic segmentation, while still maintaining low latency on mobile devices for high-resolution inputs in these scenarios. Code and models are available at: https://github.com/ChuanyangZheng/iFormer.

Test-time adaptation updates pretrained models on the fly to handle distribution shifts in test data. While existing research has focused on stable optimization during adaptation, less attention has been given to enhancing model representations for adaptation capability. To address this gap, we propose Test-Time Ensemble (TTE) grounded in the intriguing property of linear mode connectivity. TTE leverages ensemble strategies during adaptation: 1) adaptively averaging the parameter weights of assorted test-time adapted models and 2) incorporating dropout to further promote representation diversity. These strategies encapsulate model diversity into a single model, avoiding computational burden associated with managing multiple models. Besides, we propose a robust knowledge distillation scheme to prevent model collapse, ensuring stable optimization and preserving the ensemble benefits during adaptation. Notably, TTE integrates seamlessly with existing TTA approaches, advancing their adaptation capabilities. In extensive experiments, integration with TTE consistently outperformed baseline models across various challenging scenarios, demonstrating its effectiveness and general applicability.

Advanced diffusion models like Stable Diffusion 3, Omost, and FLUX have made notable strides in compositional text-to-image generation. However, these methods typically exhibit distinct strengths for compositional generation, with some excelling in handling attribute binding and others in spatial relationships. This disparity highlights the need for an approach that can leverage the complementary strengths of various models to comprehensively improve the composition capability. To this end, we introduce IterComp, a novel framework that aggregates composition-aware model preferences from multiple models and employs an iterative feedback learning approach to enhance compositional generation. Specifically, we curate a gallery of six powerful open-source diffusion models and evaluate their three key compositional metrics: attribute binding, spatial relationships, and non-spatial relationships. Based on these metrics, we develop a composition-aware model preference dataset comprising numerous image-rank pairs to train composition-aware reward models. Then, we propose an iterative feedback learning method to enhance compositionality in a closed-loop manner, enabling the progressive self-refinement of both the base diffusion model and reward models over multiple iterations. Detailed theoretical proof demonstrates the effectiveness of this method. Extensive experiments demonstrate our significant superiority over previous methods, particularly in multi-category object composition and complex semantic alignment. IterComp opens new research avenues in reward feedback learning for diffusion models and compositional generation. Code: https://github.com/YangLing0818/IterComp

The classic teacher-student model in machine learning posits that a strong teacher supervises a weak student to improve the student's capabilities. We instead consider the inverted situation, where a weak teacher supervises a strong student with imperfect pseudolabels. This paradigm was recently brought forth by \citet{burns2023weak} and termed \emph{weak-to-strong generalization}. We theoretically investigate weak-to-strong generalization for binary and multilabel classification in a stylized overparameterized spiked covariance model with Gaussian covariates where the weak teacher's pseudolabels are asymptotically like random guessing. Under these assumptions, we provably identify two asymptotic phases of the strong student's generalization after weak supervision: (1) successful generalization and (2) random guessing. Our techniques should eventually extend to weak-to-strong multiclass classification. Towards doing so, we prove a tight lower tail inequality for the maximum of correlated Gaussians, which may be of independent interest. Understanding the multilabel setting reinforces the value of using logits for weak supervision when they are available.