ICLR 2025 Papers

In the image acquisition process, various forms of degradation, including noise, blur, haze, and rain, are frequently introduced. These degradations typically arise from the inherent limitations of cameras or unfavorable ambient conditions. To recover clean images from their degraded versions, numerous specialized restoration methods have been developed, each targeting a specific type of degradation. Recently, all-in-one algorithms have garnered significant attention by addressing different types of degradations within a single model without requiring the prior information of the input degradation type. However, most methods purely operate in the spatial domain and do not delve into the distinct frequency variations inherent to different degradation types. To address this gap, we propose an adaptive all-in-one image restoration network based on frequency mining and modulation. Our approach is motivated by the observation that different degradation types impact the image content on different frequency subbands, thereby requiring different treatments for each restoration task. Specifically, we first mine low- and high-frequency information from the input features, guided by the adaptively decoupled spectra of the degraded image. The extracted features are then modulated by a bidirectional operator to facilitate interactions between different frequency components. Finally, the modulated features are merged into the original input for a progressively guided restoration. With this approach, the model achieves adaptive reconstruction by accentuating the informative frequency subbands according to different input degradations. Extensive experiments demonstrate that the proposed method, AdaIR, achieves state-of-the-art performance on different image restoration tasks, including image denoising, dehazing, deraining, motion deblurring, and low-light image enhancement. The code is available at https://github.com/c-yn/AdaIR.

Large language models (LLMs) are driving substantial advancements in software engineering, with successful applications like Copilot and Cursor transforming real-world development practices. However, current research predominantly focuses on the early stages of development, such as code generation, while overlooking the post-development phases that are crucial to user experience. To explore the potential of LLMs in this direction, we propose OpenRCA, a benchmark dataset and evaluation framework for assessing LLMs’ ability to identify the root cause of software failures. OpenRCA includes 335 failures from three enterprise software systems, along with over 68 GB of telemetry data (logs, metrics, and traces). Given a failure case and its associated telemetry, the LLM is tasked to identify the root cause that triggered the failure, requiring comprehension of software dependencies and reasoning over heterogeneous, long-context telemetry data. Our results show substantial room for improvement, as current models can only handle the simplest cases. Even with the specially designed RCA-agent, the best-performing model, Claude 3.5, solved only 11.34% failure cases. Our work paves the way for future research in this direction.

End-to-end autonomous driving (E2E-AD) has emerged as a trend in the field of autonomous driving, promising a data-driven, scalable approach to system design. However, existing E2E-AD methods usually adopt the sequential paradigm of perception-prediction-planning, which leads to cumulative errors and training instability. The manual ordering of tasks also limits the system’s ability to leverage synergies between tasks (for example, planning-aware perception and game-theoretic interactive prediction and planning). Moreover, the dense BEV representation adopted by existing methods brings computational challenges for long-range perception and long-term temporal fusion. To address these challenges, we present DriveTransformer, a simplified E2E-AD framework for the ease of scaling up, characterized by three key features: Task Parallelism (All agent, map, and planning queries direct interact with each other at each block), Sparse Representation (Task queries direct interact with raw sensor features), and Streaming Processing (Task queries are stored and passed as history information). As a result, the new framework is composed of three unified operations: task self-attention, sensor cross-attention, temporal cross-attention, which significantly reduces the complexity of system and leads to better training stability. DriveTransformer achieves state-of-the-art performance in both simulated closed-loop benchmark Bench2Drive and real world open-loop benchmark nuScenes with high FPS.

Multi-view classification based on the Dempster-Shafer theory is widely recognized for its reliability in safety-critical domains with multi-view data. However, the adoption of a late fusion strategy constrains information interaction among views, thereby leading to suboptimal utilization of multi-view data. A recent advancement addressing this limitation involves generating a pseudo view by concatenating individual views. Yet, the efficacy of this pseudo view may diminish when incorporating underperforming views like noisy views. Additionally, the integration of a pseudo view exacerbates the issue of imbalanced multi-view learning, as it contains a disproportionate amount of information compared to individual views. To address these issues, we propose the enhancing Trusted multi-view classification via Evolutionary multi-view Fusion (TEF) approach. TEF employs an evolutionary multi-view architecture search method to create a high-quality fusion architecture serving as the pseudo view, facilitating adaptive view and fusion operator selection. Furthermore, TEF enhances each view within the fusion architecture by concatenating the fusion architecture's decision output with its respective view. Our experimental results demonstrate the effectiveness of this straightforward yet powerful strategy in mitigating imbalanced multi-view learning issues, particularly on complex many-view datasets exceeding three views. Extensive evaluations across 13 multi-view datasets validate the superior performance of our proposed method compared to other trusted multi-view learning approaches. The code is available at https://github.com/fupinhan123/TEF.

We introduce a novel method for generating 360° panoramas from text prompts or images. Our approach leverages recent advances in 3D generation by employing multi-view diffusion models to jointly synthesize the six faces of a cubemap. Unlike previous methods that rely on processing equirectangular projections or autoregressive generation, our method treats each face as a standard perspective image, simplifying the generation process and enabling the use of existing multi-view diffusion models. We demonstrate that these models can be adapted to produce high-quality cubemaps without requiring correspondence-aware attention layers. Our model allows for fine-grained text control, generates high resolution panorama images and generalizes well beyond its training set, whilst achieving state-of-the-art results, both qualitatively and quantitatively.

We present STORM, a spatio-temporal reconstruction model designed for reconstructing dynamic outdoor scenes from sparse observations. Existing dynamic reconstruction methods often rely on per-scene optimization, dense observations across space and time, and strong motion supervision, resulting in lengthy optimization times, limited generalization to novel views or scenes, and degenerated quality caused by noisy pseudo-labels for dynamics. To address these challenges, STORM leverages a data-driven Transformer architecture that directly infers dynamic 3D scene representations—parameterized by 3D Gaussians and their velocities—in a single forward pass. Our key design is to aggregate 3D Gaussians from all frames using self-supervised scene flows, transforming them to the target timestep to enable complete (i.e., "amodal") reconstructions from arbitrary viewpoints at any moment in time. As an emergent property, STORM automatically captures dynamic instances and generates high-quality masks using only reconstruction losses. Extensive experiments on public datasets show that STORM achieves precise dynamic scene reconstruction, surpassing state-of-the-art per-scene optimization methods (+4.3 to 6.6 PSNR) and existing feed-forward approaches (+2.1 to 4.7 PSNR) in dynamic regions. STORM reconstructs large-scale outdoor scenes in 200ms, supports real-time rendering, and outperforms competitors in scene flow estimation, improving 3D EPE by 0.422m and Acc5 by 28.02%. Beyond reconstruction, we showcase four additional applications of our model, illustrating the potential of self-supervised learning for broader dynamic scene understanding. For more details, please visit our project at https://jiawei-yang.github.io/STORM/.

SMILES, a crucial textual representation of molecular structures, has garnered significant attention as a foundation for pre-trained language models (LMs). However, most existing pre-trained SMILES LMs focus solely on the single-token level supervision during pre-training, failing to fully leverage the substructural information of molecules. This limitation makes the pre-training task overly simplistic, preventing the models from capturing richer molecular semantic information. Moreover, during pre-training, these SMILES LMs only process corrupted SMILES inputs, never encountering any valid SMILES, which leads to a train-inference mismatch. To address these challenges, we propose SMI-Editor, a novel edit-based pre-trained SMILES LM. SMI-Editor disrupts substructures within a molecule at random and feeds the resulting SMILES back into the model, which then attempts to restore the original SMILES through an editing process. This approach not only introduces fragment-level training signals, but also enables the use of valid SMILES as inputs, allowing the model to learn how to reconstruct complete molecules from these incomplete structures. As a result, the model demonstrates improved scalability and an enhanced ability to capture fragment-level molecular information. Experimental results show that SMI-Editor achieves state-of-the-art performance across multiple downstream molecular tasks, and even outperforming several 3D molecular representation models.

Recent advancements in large language models (LLMs) have sparked optimism about their potential to accelerate scientific discovery, with a growing number of works proposing research agents that autonomously generate and validate new ideas. Despite this, no evaluations have shown that LLM systems can take the very first step of producing novel, expert-level ideas, let alone perform the entire research process. We address this by establishing an experimental design that evaluates research idea generation while controlling for confounders and performs the first comparison between expert NLP researchers and an LLM ideation agent. By recruiting over 100 NLP researchers to write novel ideas and blind reviews of both LLM and human ideas, we obtain the first statistically significant conclusion on current LLM capabilities for research ideation: we find LLM-generated ideas are judged as more novel (p < 0.05) than human expert ideas while being judged slightly weaker on feasibility. Studying our agent baselines closely, we identify open problems in building and evaluating research agents, including failures of LLM self-evaluation and their lack of diversity in generation.

Generative modeling of crystal data distribution is an important yet challenging task due to the unique periodic physical symmetry of crystals. Diffusion-based methods have shown early promise in modeling crystal distribution. More recently, Bayesian Flow Networks were introduced to aggregate noisy latent variables, resulting in a variance-reduced parameter space that has been shown to be advantageous for modeling Euclidean data distributions with structural constraints (Song, et al.,2023). Inspired by this, we seek to unlock its potential for modeling variables located in non-Euclidean manifolds e.g. those within crystal structures, by overcoming challenging theoretical issues. We introduce CrysBFN, a novel crystal generation method by proposing a periodic Bayesian flow, which essentially differs from the original Gaussian-based BFN by exhibiting non-monotonic entropy dynamics. To successfully realize the concept of periodic Bayesian flow, CrysBFN integrates a new entropy conditioning mechanism and empirically demonstrates its significance compared to time-conditioning. Extensive experiments over both crystal ab initio generation and crystal structure prediction tasks demonstrate the superiority of CrysBFN, which consistently achieves new state-of-the-art on all benchmarks. Surprisingly, we found that CrysBFN enjoys a significant improvement in sampling efficiency, e.g., 200x speedup (10 v.s. 2000 steps network forwards) compared with previous Diffusion-based methods on MP-20 dataset.

Consistency models (CMs) are a powerful class of diffusion-based generative models optimized for fast sampling. Most existing CMs are trained using discretized timesteps, which introduce additional hyperparameters and are prone to discretization errors. While continuous-time formulations can mitigate these issues, their success has been limited by training instability. To address this, we propose a simplified theoretical framework that unifies previous parameterizations of diffusion models and CMs, identifying the root causes of instability. Based on this analysis, we introduce key improvements in diffusion process parameterization, network architecture, and training objectives. These changes enable us to train continuous-time CMs at an unprecedented scale, reaching 1.5B parameters on ImageNet 512×512. Our proposed training algorithm, using only two sampling steps, achieves FID scores of 2.06 on CIFAR-10, 1.48 on ImageNet 64×64, and 1.88 on ImageNet 512×512, narrowing the gap in FID scores with the best existing diffusion models to within 10\%.

Analyzing volumetric data with rotational invariance or equivariance is currently an active research topic. Existing deep-learning approaches utilize either group convolutional networks limited to discrete rotations or steerable convolutional networks with constrained filter structures. This work proposes a novel equivariant neural network architecture that achieves analytical Equivariance to Local Pattern Orientation on the continuous SO(3) group while allowing unconstrained trainable filters - EquiLoPO Network. Our key innovations are a group convolutional operation leveraging irreducible representations as the Fourier basis and a local activation function in the SO(3) space that provides a well-defined mapping from input to output functions, preserving equivariance. By integrating these operations into a ResNet-style architecture, we propose a model that overcomes the limitations of prior methods. A comprehensive evaluation on diverse 3D medical imaging datasets from MedMNIST3D demonstrates the effectiveness of our approach, which consistently outperforms state of the art. This work suggests the benefits of true rotational equivariance on SO(3) and flexible unconstrained filters enabled by the local activation function, providing a flexible framework for equivariant deep learning on volumetric data with potential applications across domains. Our code is publicly available at https://gricad-gitlab.univ-grenoble-alpes.fr/GruLab/ILPO/-/tree/main/EquiLoPO.

In inverse reinforcement learning (IRL), an agent seeks to replicate expert demonstrations through interactions with the environment. Traditionally, IRL is treated as an adversarial game, where an adversary searches over reward models, and a learner optimizes the reward through repeated RL procedures. This game-solving approach is both computationally expensive and difficult to stabilize. In this work, we propose a novel approach to IRL by _direct policy search_: by exploiting a linear factorization of the return as the inner product of successor features and a reward vector, we design an IRL algorithm by policy gradient descent on the gap between the learner and expert features. Our non-adversarial method does not require learning an explicit reward function and can be solved seamlessly with existing RL algorithms. Remarkably, our approach works in state-only settings without expert action labels, a setting which behavior cloning (BC) cannot solve. Empirical results demonstrate that our method learns from as few as a single expert demonstration and achieves improved performance on various control tasks.

Training and fine-tuning large language models (LLMs) come with challenges related to memory and computational requirements due to the increasing size of the model weights and the optimizer states. To tackle these challenges, various techniques have been developed, such as low-rank adaptation (LoRA), which involves introducing a parallel trainable low-rank matrix to the fixed pre-trained weights at each layer. However, these methods often fall short compared to the full-rank weight training approach, as they restrict the parameter search to a low-rank subspace. This limitation can disrupt training dynamics and may require a full-rank warm start to mitigate the impact. In this paper, we introduce a new method inspired by a phenomenon we formally prove: as training progresses, the rank of the estimated layer gradients gradually decreases and asymptotically approaches rank one. Leveraging this, our approach involves adaptively reducing the rank of the gradients during Adam optimization steps, using an efficient online-updating low-rank projections rule. We further present a randomized-svd scheme for efficiently finding the projection matrix. Our technique enables full-parameter fine-tuning with adaptive low-rank gradient updates, significantly reducing overall memory requirements during training compared to state-of-the-art methods while improving model performance in both pretraining and fine-tuning. Finally, we provide a convergence analysis of our method and demonstrate its merits for training and fine-tuning language and biological foundation models.

Language models (LMs) can be directed to perform user- and context-dependent tasks by using labeled examples or natural language prompts. But selecting examples or writing prompts can be challenging---especially in tasks that require users to precisely articulate nebulous preferences or reason about complex edge cases. For such tasks, we introduce **Generative Active Task Elicitation (GATE)**, a method for using *LMs themselves* to guide the task specification process. GATE is a learning framework in which models elicit and infer human preferences through free-form, language-based interaction with users. We identify prototypical challenges that users face when specifying preferences, and design three preference modeling tasks to study these challenges: content recommendation, moral reasoning, and email validation. In preregistered experiments, we show that LMs that learn to perform these tasks using GATE (by interactively querying users with open-ended questions) obtain preference specifications that are more informative than user-written prompts or examples. GATE matches existing task specification methods in the moral reasoning task, and significantly outperforms them in the content recommendation and email validation tasks. Users additionally report that interactive task elicitation requires less effort than prompting or example labeling and surfaces considerations that they did not anticipate on their own. Our findings suggest that LM-driven elicitation can be a powerful tool for aligning models to complex human preferences and values.

We contribute an unsupervised method that effectively learns disentangled content and style representations from sequences of observations. Unlike most disentanglement algorithms that rely on domain-specific labels or knowledge, our method is based on the insight of domain-general statistical differences between content and style --- content varies more among different fragments within a sample but maintains an invariant vocabulary across data samples, whereas style remains relatively invariant within a sample but exhibits more significant variation across different samples. We integrate such inductive bias into an encoder-decoder architecture and name our method after V3 (variance-versus-invariance). Experimental results show that V3 generalizes across multiple domains and modalities, successfully learning disentangled content and style representations, such as pitch and timbre from music audio, digit and color from images of hand-written digits, and action and character appearance from simple animations. V3 demonstrates strong disentanglement performance compared to existing unsupervised methods, along with superior out-of-distribution generalization and few-shot learning capabilities compared to supervised counterparts. Lastly, symbolic-level interpretability emerges in the learned content codebook, forging a near one-to-one alignment between machine representation and human knowledge.

Articulated object manipulation is a critical capability for robots to perform various tasks in real-world scenarios. Composed of multiple parts connected by joints, articulated objects are endowed with diverse functional mechanisms through complex relative motions. For example, a safe consists of a door, a handle, and a lock, where the door can only be opened when the latch is unlocked. The internal structure, such as the state of a lock or joint angle constraints, cannot be directly observed from visual observation. Consequently, successful manipulation of these objects requires adaptive adjustment based on trial and error rather than a one-time visual inference. However, previous datasets and simulation environments for articulated objects have primarily focused on simple manipulation mechanisms where the complete manipulation process can be inferred from the object's appearance. To enhance the diversity and complexity of adaptive manipulation mechanisms, we build a novel articulated object manipulation environment and equip it with 9 categories of objects. Based on the environment and objects, we further propose an adaptive demonstration collection and 3D visual diffusion-based imitation learning pipeline that learns the adaptive manipulation policy. The effectiveness of our designs and proposed method is validated through both simulation and real-world experiments.

The world is understood from various modalities, such as appearance, sound, language, etc. Since each modality only partially represents objects in a certain physical meaning, leveraging additional ones is beneficial in both theory and practice. However, exploiting novel modalities normally requires cross-modal pairs corresponding to the same instance, which is extremely resource-consuming and sometimes even impossible, making knowledge exploration of novel modalities largely restricted. To seek practical multi-modal learning, here we study Out-of-Modal (OOM) Generalization as an initial attempt to generalize to an unknown modality without given instance-level modal correspondence. Specifically, we consider Semi-Supervised and Unsupervised scenarios of OOM Generalization, where the first has scarce correspondences and the second has none, and propose connect & explore (COX) to solve these problems. COX first connects OOM data and known In-Modal (IM) data through a variational information bottleneck framework to extract shared information. Then, COX leverages the shared knowledge to create emergent correspondences, which is theoretically justified from an information-theoretic perspective. As a result, the label information on OOM data emerges along with the correspondences, which help explore the OOM data with unknown knowledge, thus benefiting generalization results. We carefully evaluate the proposed COX method under various OOM generalization scenarios, verifying its effectiveness and extensibility.

Entropy-based objectives are widely used to perform state space exploration in reinforcement learning (RL) and dataset generation for offline RL. Behavioral entropy (BE), a rigorous generalization of classical entropies that incorporates cognitive and perceptual biases of agents, was recently proposed for discrete settings and shown to be a promising metric for robotic exploration problems. In this work, we propose using BE as a principled exploration objective for systematically generating datasets that provide diverse state space coverage in complex, continuous, potentially high-dimensional domains. To achieve this, we extend the notion of BE to continuous settings, derive tractable $k$-nearest neighbor estimators, provide theoretical guarantees for these estimators, and develop practical reward functions that can be used with standard RL methods to learn BE-maximizing policies. Using standard MuJoCo environments, we experimentally compare the performance of offline RL algorithms for a variety of downstream tasks on datasets generated using BE, R\'{e}nyi, and Shannon entropy-maximizing policies, as well as the SMM and RND algorithms. We find that offline RL algorithms trained on datasets collected using BE outperform those trained on datasets collected using Shannon entropy, SMM, and RND on all tasks considered, and on 80\% of the tasks compared to datasets collected using Renyi entropy.

Modern 3D engines and graphics pipelines require mesh as a memory-efficient representation, which allows efficient rendering, geometry processing, texture editing, and many other downstream operations. However, it is still highly difficult to obtain high-quality mesh in terms of detailed structure and time consistency from dynamic observations. To this end, we introduce Dynamic Gaussians Mesh (DG-Mesh), a framework to reconstruct a high-fidelity and time-consistent mesh from dynamic input. Our work leverages the recent advancement in 3D Gaussian Splatting to construct the mesh sequence with temporal consistency from dynamic observations. Building on top of this representation, DG-Mesh recovers high-quality meshes from the Gaussian points and can track the mesh vertices over time, which enables applications such as texture editing on dynamic objects. We introduce the Gaussian-Mesh Anchoring, which encourages evenly distributed Gaussians, resulting better mesh reconstruction through mesh-guided densification and pruning on the deformed Gaussians. By applying cycle-consistent deformation between the canonical and the deformed space, we can project the anchored Gaussian back to the canonical space and optimize Gaussians across all time frames. During the evaluation on different datasets, DG-Mesh provides significantly better mesh reconstruction and rendering than baselines.