ICLR 2025 Papers

Utilizing a large-scale dataset is essential for training high-performance deep learning models, but it also comes with substantial computation and storage costs. To overcome these challenges, dataset distillation has emerged as a promising solution by compressing the large-scale dataset into a smaller synthetic dataset that retains the essential information needed for training. This paper proposes a novel parameterization framework for dataset distillation, coined Distilling Dataset into Neural Field (DDiF), which leverages the neural field to store the necessary information of the large-scale dataset. Due to the unique nature of the neural field, which takes coordinates as input and output quantity, DDiF effectively preserves the information and easily generates various shapes of data. We theoretically confirm that DDiF exhibits greater expressiveness than some previous literature when the utilized budget for a single synthetic instance is the same. Through extensive experiments, we demonstrate that DDiF achieves superior performance on several benchmark datasets, extending beyond the image domain to include video, audio, and 3D voxel. We release the code at \url{https://github.com/aailab-kaist/DDiF}.

Dimensionality reduction is critical across various domains of science including neuroscience. Probabilistic Principal Component Analysis (PPCA) is a prominent dimensionality reduction method that provides a probabilistic approach unlike the deterministic approach of PCA and serves as a connection between PCA and Factor Analysis (FA). Despite their power, PPCA and its extensions are mainly based on linear models and can only describe the data in a Euclidean coordinate system around the mean of data. However, in many neuroscience applications, data may be distributed around a nonlinear geometry (i.e., manifold) rather than lying in the Euclidean space around the mean. We develop Probabilistic Geometric Principal Component Analysis (PGPCA) for such datasets as a new dimensionality reduction algorithm that can explicitly incorporate knowledge about a given nonlinear manifold that is first fitted from these data. Further, we show how in addition to the Euclidean coordinate system, a geometric coordinate system can be derived for the manifold to capture the deviations of data from the manifold and noise. We also derive a data-driven EM algorithm for learning the PGPCA model parameters. As such, PGPCA generalizes PPCA to better describe data distributions by incorporating a nonlinear manifold geometry. In simulations and brain data analyses, we show that PGPCA can effectively model the data distribution around various given manifolds and outperforms PPCA for such data. Moreover, PGPCA provides the capability to test whether the new geometric coordinate system better describes the data than the Euclidean one. Finally, PGPCA can perform dimensionality reduction and learn the data distribution both around and on the manifold. These capabilities make PGPCA valuable for enhancing the efficacy of dimensionality reduction for analysis of high-dimensional data that exhibit noise and are distributed around a nonlinear manifold, especially for neural data.

We leverage 3D Gaussian Splatting (3DGS) as a scene representation and propose a novel test-time camera pose refinement (CPR) framework, GS-CPR. This framework enhances the localization accuracy of state-of-the-art absolute pose regression and scene coordinate regression methods. The 3DGS model renders high-quality synthetic images and depth maps to facilitate the establishment of 2D-3D correspondences. GS-CPR obviates the need for training feature extractors or descriptors by operating directly on RGB images, utilizing the 3D foundation model, MASt3R, for precise 2D matching. To improve the robustness of our model in challenging outdoor environments, we incorporate an exposure-adaptive module within the 3DGS framework. Consequently, GS-CPR enables efficient one-shot pose refinement given a single RGB query and a coarse initial pose estimation. Our proposed approach surpasses leading NeRF-based optimization methods in both accuracy and runtime across indoor and outdoor visual localization benchmarks, achieving new state-of-the-art accuracy on two indoor datasets.

Estimating geometry from dynamic scenes, where objects move and deform over time, remains a core challenge in computer vision. Current approaches often rely on multi-stage pipelines or global optimizations that decompose the problem into subtasks, like depth and flow, leading to complex systems prone to errors. In this paper, we present Motion DUSt3R (MonST3R), a novel geometry-first approach that directly estimates per-timestep geometry from dynamic scenes. Our key insight is that by simply estimating a pointmap for each timestep, we can effectively adapt DUSt3R’s representation, previously only used for static scenes, to dynamic scenes. However, this approach presents a significant challenge: the scarcity of suitable training data, namely dynamic, posed videos with depth labels. Despite this, we show that by posing the problem as a fine-tuning task, identifying several suitable datasets, and strategically training the model on this limited data, we can surprisingly enable the model to handle dynamics, even without an explicit motion representation. Based on this, we introduce new optimizations for several downstream video-specific tasks and demonstrate strong performance on video depth and camera pose estimation, outperforming prior work in terms of robustness and efficiency. Moreover, MonST3R shows promising results for primarily feed-forward 4D reconstruction. Interactive 4D results, source code, and trained models are available at: https://monst3r-project.github.io/.

Generative models are transforming creative domains such as music generation, with inference-time strategies like Classifier-Free Guidance (CFG) playing a crucial role. However, CFG doubles inference cost while limiting originality and diversity across generated contents. In this paper, we introduce diversity-rewarded CFG distillation, a novel finetuning procedure that distills the strengths of CFG while addressing its limitations. Our approach optimises two training objectives: (1) a distillation objective, encouraging the model alone (without CFG) to imitate the CFG-augmented predictions, and (2) an RL objective with a diversity reward, promoting the generation of diverse outputs for a given prompt. By finetuning, we learn model weights with the ability to generate high-quality and diverse outputs, without any inference overhead. This also unlocks the potential of weight-based model merging strategies: by interpolating between the weights of two models (the first focusing on quality, the second on diversity), we can control the quality-diversity trade-off at deployment time, and even further boost performance. We conduct extensive experiments on the MusicLM text-to-music generative model, where our approach surpasses CFG in terms of quality-diversity Pareto optimality. According to human evaluators, our finetuned-then-merged model generates samples with higher quality-diversity than the base model augmented with CFG. Explore our generations at https://musicdiversity.github.io/.

Human-centric perception with radio frequency (RF) signals has recently entered a new era of end-to-end processing with Transformers. Considering the long-sequence nature of RF signals, the State Space Model (SSM) has emerged as a superior alternative due to its effective long-sequence modeling and linear complexity. However, integrating SSM into RF-based sensing presents unique challenges including the fundamentally different signal representation, distinct frequency responses in different scenarios, and incomplete capture caused by specular reflection. To address this, we carefully devise a dual-branch SSM block that is characterized by adaptively grasping the most informative frequency cues and the assistant spatial information to fully explore the human representations from radar echoes. Based on these two branchs, we further introduce an SSM-based network for handling various downstream human perception tasks, named RFMamba. Extensive experimental results demonstrate the superior performance of our proposed RFMamba across all three downstream tasks. To the best of our knowledge, RFMamba is the first attempt to introduce SSM into RF-based human-centric perception.

Understanding and explaining differences between audio recordings is crucial for fields like audio forensics, quality assessment, and audio generation. This involves identifying and describing audio events, acoustic scenes, signal characteristics, and their emotional impact on listeners. This paper stands out as the first work to comprehensively study the task of explaining audio differences and then propose benchmark, baselines for the task. First, we present two new datasets for audio difference explanation derived from the AudioCaps and Clotho audio captioning datasets. Using Large Language Models (LLMs), we generate three levels of difference explanations: (1) concise descriptions of audio events and objects, (2) brief sentences about audio events, acoustic scenes, and signal properties, and (3) comprehensive explanations that include semantics and listener emotions. For the baseline, we use prefix tuning where audio embeddings from two audio files are used to prompt a frozen language model. Our empirical analysis and ablation studies reveal that the naive baseline struggles to distinguish perceptually similar sounds and generate detailed tier 3 explanations. To address these limitations, we propose ADIFF, which introduces a cross-projection module, position captioning, and a three-step training process to enhance the model’s ability to produce detailed explanations. We evaluate our model using objective metrics and human evaluation and show our model enhancements lead to significant improvements in performance over naive baseline and SoTA Audio-Language Model (ALM) Qwen Audio. Lastly, we conduct multiple ablation studies to study the effects of cross-projection, language model parameters, position captioning, third stage fine-tuning, and present our findings. Our benchmarks, findings, and strong baseline pave the way for nuanced and human-like explanations of audio differences.

Information retrieval has transitioned from standalone systems into essential components across broader applications, with indexing efficiency, cost-effectiveness, and freshness becoming increasingly critical yet often overlooked. In this paper, we introduce SemI-parametric Disentangled Retrieval (SiDR), a bi-encoder retrieval framework that decouples retrieval index from neural parameters to enable efficient, low-cost, and parameter-agnostic indexing for emerging use cases. Specifically, in addition to using embeddings as indexes like existing neural retrieval methods, SiDR supports a non-parametric tokenization index for search, achieving BM25-like indexing complexity with significantly better effectiveness. Our comprehensive evaluation across 16 retrieval benchmarks demonstrates that SiDR outperforms both neural and term-based retrieval baselines under the same indexing workload: (i) When using an embedding-based index, SiDR exceeds the performance of conventional neural retrievers while maintaining similar training complexity; (ii) When using a tokenization-based index, SiDR drastically reduces indexing cost and time, matching the complexity of traditional term-based retrieval, while consistently outperforming BM25 on all in-domain datasets; (iii) Additionally, we introduce a late parametric mechanism that matches BM25 index preparation time while outperforming other neural retrieval baselines in effectiveness.

Illumination degradation image restoration (IDIR) techniques aim to improve the visibility of degraded images and mitigate the adverse effects of deteriorated illumination. Among these algorithms, diffusion-based models (DM) have shown promising performance but are often burdened by heavy computational demands and pixel misalignment issues when predicting the image-level distribution. To tackle these problems, we propose to leverage DM within a compact latent space to generate concise guidance priors and introduce a novel solution called Reti-Diff for the IDIR task. Specifically, Reti-Diff comprises two significant components: the Retinex-based latent DM (RLDM) and the Retinex-guided transformer (RGformer). RLDM is designed to acquire Retinex knowledge, extracting reflectance and illumination priors to facilitate detailed reconstruction and illumination correction. RGformer subsequently utilizes these compact priors to guide the decomposition of image features into their respective reflectance and illumination components. Following this, RGformer further enhances and consolidates these decomposed features, resulting in the production of refined images with consistent content and robustness to handle complex degradation scenarios. Extensive experiments demonstrate that Reti-Diff outperforms existing methods on three IDIR tasks, as well as downstream applications.

Comprehensive evaluation of Multimodal Large Language Models (MLLMs) has recently garnered widespread attention in the research community. However, we observe that existing benchmarks present several common barriers that make it difficult to measure the significant challenges that models face in the real world, including: 1) small data scale leads to a large performance variance; 2) reliance on model-based annotations results in restricted data quality; 3) insufficient task difficulty, especially caused by the limited image resolution. To tackle these issues, we introduce MME-RealWorld. Specifically, we collect more than $300$ K images from public datasets and the Internet, filtering $13,366$ high-quality images for annotation. This involves the efforts of professional $25$ annotators and $7$ experts in MLLMs, contributing to $29,429$ question-answer pairs that cover $43$ subtasks across $5$ real-world scenarios, extremely challenging even for humans. As far as we know, **MME-RealWorld is the largest manually annotated benchmark to date, featuring the highest resolution and a targeted focus on real-world applications**. We further conduct a thorough evaluation involving $29$ prominent MLLMs, such as GPT-4o, Gemini 1.5 Pro, and Claude 3.5 Sonnet. Our results show that even the most advanced models struggle with our benchmarks, where none of them reach 60\% accuracy. The challenges of perceiving high-resolution images and understanding complex real-world scenarios remain urgent issues to be addressed. The data and evaluation code are released in our Project Page.

Lifelong user behavior sequences are crucial for capturing user interests and predicting user responses in modern recommendation systems. A two-stage paradigm is typically adopted to handle these long sequences: a subset of relevant behaviors is first searched from the original long sequences via an attention mechanism in the first stage and then aggregated with the target item to construct a discriminative representation for prediction in the second stage. In this work, we identify and characterize, for the first time, a neglected deficiency in existing long-sequence recommendation models: a single set of embeddings struggles with learning both attention and representation, leading to interference between these two processes. Initial attempts to address this issue with some common methods (e.g., linear projections---a technique borrowed from language processing) proved ineffective, shedding light on the unique challenges of recommendation models. To overcome this, we propose the Decoupled Attention and Representation Embeddings (DARE) model, where two distinct embedding tables are initialized and learned separately to fully decouple attention and representation. Extensive experiments and analysis demonstrate that DARE provides more accurate searches of correlated behaviors and outperforms baselines with AUC gains up to 9‰ on public datasets and notable improvements on Tencent's advertising platform. Furthermore, decoupling embedding spaces allows us to reduce the attention embedding dimension and accelerate the search procedure by 50\% without significant performance impact, enabling more efficient, high-performance online serving. Code in PyTorch for experiments, including model analysis, is available at https://github.com/thuml/DARE.

Large Language Models (LLMs) have demonstrated improved generation performance by incorporating externally retrieved knowledge, a process known as retrieval-augmented generation (RAG). Despite the potential of this approach, existing studies evaluate RAG effectiveness by 1) assessing retrieval and generation components jointly, which obscures retrieval's distinct contribution, or 2) examining retrievers using traditional metrics such as NDCG, which creates a gap in understanding retrieval's true utility in the overall generation process. To address the above limitations, in this work, we introduce an automatic evaluation method that measures retrieval quality through the lens of information gain within the RAG framework. Specifically, we propose Semantic Perplexity (SePer), a metric that captures the LLM's internal belief about the correctness of the retrieved information. We quantify the utility of retrieval by the extent to which it reduces semantic perplexity post-retrieval. Extensive experiments demonstrate that SePer not only aligns closely with human preferences but also offers a more precise and efficient evaluation of retrieval utility across diverse RAG scenarios.

Building interactable replicas of articulated objects is a key challenge in computer vision. Existing methods often fail to effectively integrate information across different object states, limiting the accuracy of part-mesh reconstruction and part dynamics modeling, particularly for complex multi-part articulated objects. We introduce ArtGS, a novel approach that leverages 3D Gaussians as a flexible and efficient representation to address these issues. Our method incorporates canonical Gaussians with coarse-to-fine initialization and updates for aligning articulated part information across different object states, and employs a skinning-inspired part dynamics modeling module to improve both part-mesh reconstruction and articulation learning. Extensive experiments on both synthetic and real-world datasets, including a new benchmark for complex multi-part objects, demonstrate that ArtGS achieves state-of-the-art performance in joint parameter estimation and part mesh reconstruction. Our approach significantly improves reconstruction quality and efficiency, especially for multi-part articulated objects. Additionally, we provide comprehensive analyses of our design choices, validating the effectiveness of each component to highlight potential areas for future improvement.

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~\url{https://github.com/tmlr-group/FABFlex}.

Implicit functions such as Neural Radiance Fields (NeRFs), occupancy networks, and signed distance functions (SDFs) have become pivotal in computer vision for reconstructing detailed object shapes from sparse views. Achieving optimal performance with these models can be challenging due to the extreme sparsity of inputs and distribution shifts induced by data corruptions. To this end, large, noise-free synthetic datasets can serve as shape priors to help models fill in gaps, but the resulting reconstructions must be approached with caution. Uncertainty estimation is crucial for assessing the quality of these reconstructions, particularly in identifying areas where the model is uncertain about the parts it has inferred from the prior. In this paper, we introduce Dropsembles, a novel method for uncertainty estimation in tuned implicit functions. We demonstrate the efficacy of our approach through a series of experiments, starting with toy examples and progressing to a real-world scenario. Specifically, we train a Convolutional Occupancy Network on synthetic anatomical data and test it on low-resolution MRI segmentations of the lumbar spine. Our results show that Dropsembles achieve the accuracy and calibration levels of deep ensembles but with significantly less computational cost.

Speech-driven 3D facial animation has attracted significant attention due to its wide range of applications in animation production and virtual reality. Recent research has explored speech-emotion disentanglement to enhance facial expressions rather than manually assigning emotions. However, this approach face issues such as feature confusion, emotions weakening and mean-face. To address these issues, we present EcoFace, a framework that (1) proposes a novel collaboration objective to provide a explicit signal for emotion representation learning from the speaker's expressive movements and produced sounds, constructing an audio-visual joint and coordinated emotion space that is independent of speech content. (2) constructs a universal facial motion distribution space determined by speech features and implement speaker-specific generation. Extensive experiments show that our method achieves more generalized and emotionally realistic talking face generation compared to previous methods.

State-of-the-art retrieval models typically address a straightforward search scenario, in which retrieval tasks are fixed (e.g., finding a passage to answer a specific question) and only a single modality is supported for both queries and retrieved results. This paper introduces techniques for advancing information retrieval with multimodal large language models (MLLMs), enabling a broader search scenario, termed universal multimodal retrieval, where multiple modalities and diverse retrieval tasks are accommodated. To this end, we first study fine-tuning an MLLM as a bi-encoder retriever on 10 datasets with 16 retrieval tasks. Our empirical results show that the fine-tuned MLLM retriever is capable of understanding challenging queries, composed of both text and image, but it underperforms compared to a smaller CLIP retriever in cross-modal retrieval tasks due to the modality bias exhibited by MLLMs. To address the issue, we propose modality-aware hard negative mining to mitigate the modality bias exhibited by MLLM retrievers. Second, we propose continuously fine-tuning the universal multimodal retriever to enhance its text retrieval capability while preserving multimodal retrieval capability. As a result, our model, MM-Embed, achieves state-of-the-art performance on the multimodal retrieval benchmark M-BEIR, which spans multiple domains and tasks, while also surpassing the state-of-the-art text retrieval model, NV-Embed-v1, on the MTEB retrieval benchmark. Finally, we explore prompting the off-the-shelf MLLMs as zero-shot rerankers to refine the ranking of the candidates from the multimodal retriever. We find that, through prompt-and-reranking, MLLMs can further improve multimodal retrieval when the user queries (e.g., text-image composed queries) are more complex and challenging to understand. These findings also pave the way for advancing universal multimodal retrieval in the future. We release the model weights at: https://huggingface.co/nvidia/MM-Embed.

The emergence of in-context learning (ICL) is potentially attributed to two major abilities: task recognition (TR) for recognizing the task from demonstrations and utilizing pre-trained priors, and task learning (TL) for learning from demonstrations. However, relationships between the two abilities and how such relationships affect the emergence of ICL is unclear. In this paper, we take the first step by examining the pre-training dynamics of the emergence of ICL. With carefully designed metrics, we find that these two abilities are, in fact, competitive during pre-training. Moreover, we observe a negative correlation between the competition and the performance of ICL. Further analysis of common pre-training factors (i.e., model size, dataset size, and data curriculum) demonstrates possible ways to regulate the competition. Based on these insights, we propose a simple yet effective method to better integrate these two abilities for ICL at inference time. Through adaptive ensemble learning, the performance of ICL can be significantly boosted, enabling two small models to outperform a larger one with more than twice the parameters.

Recent years have witnessed significant advancements in graph machine learning (GML), with its applications spanning numerous domains. However, the focus of GML has predominantly been on developing powerful models, often overlooking a crucial initial step: constructing suitable graphs from common data formats, such as tabular data. This construction process is fundamental to applying graph-based models, yet it remains largely understudied and lacks formalization. Our research aims to address this gap by formalizing the graph construction problem and proposing an effective solution. We identify two critical challenges to achieve this goal: 1. The absence of dedicated datasets to formalize and evaluate the effectiveness of graph construction methods, and 2. Existing automatic construction methods can only be applied to some specific cases, while tedious human engineering is required to generate high-quality graphs. To tackle these challenges, we present a two-fold contribution. First, we introduce a set of datasets to formalize and evaluate graph construction methods. Second, we propose an LLM-based solution, AutoG, automatically generating high-quality graph schemas without human intervention. The experimental results demonstrate that the quality of constructed graphs is critical to downstream task performance, and AutoG can generate high-quality graphs that rival those produced by human experts. Our code can be accessible from https://github.com/amazon-science/Automatic-Table-to-Graph-Generation.