ICLR 2025 Papers

International Conference on Learning Representations

Decision breakdown

3,703papers

Counted from the official paper list; may differ slightly from the number the conference announced.

  • Oral
    2135.8%
  • Spotlight
    38010.3%
  • Poster
    3,11084.0%

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Topic: Applications · computer vision · 338 papers · Reset filters

Investigating the Pre-Training Dynamics of In-Context Learning: Task Recognition vs. Task Learning

Xiaolei Wang, Xinyu Tang, Junyi Li, Xin Zhao, Ji-Rong Wen

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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.

Poster
DelTA: An Online Document-Level Translation Agent Based on Multi-Level Memory

Yutong Wang, Jiali Zeng, Xuebo Liu, Derek F. Wong, Fandong Meng, Jie Zhou, Min Zhang

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Large language models (LLMs) have achieved reasonable quality improvements in machine translation (MT). However, most current research on MT-LLMs still faces significant challenges in maintaining translation consistency and accuracy when processing entire documents. In this paper, we introduce DelTA, a Document-levEL Translation Agent designed to overcome these limitations. DelTA features a multi-level memory structure that stores information across various granularities and spans, including Proper Noun Records, Bilingual Summary, Long-Term Memory, and Short-Term Memory, which are continuously retrieved and updated by auxiliary LLM-based components. Experimental results indicate that DelTA significantly outperforms strong baselines in terms of translation consistency and quality across four open/closed-source LLMs and two representative document translation datasets, achieving an increase in consistency scores by up to 4.58 percentage points and in COMET scores by up to 3.16 points on average. DelTA employs a sentence-by-sentence translation strategy, ensuring no sentence omissions and offering a memory-efficient solution compared to the mainstream method. Furthermore, DelTA improves pronoun and context-dependent translation accuracy, and the summary component of the agent also shows promise as a tool for query-based summarization tasks. The code and data of our approach are released at https://github.com/YutongWang1216/DocMTAgent.

Poster
Mixture Compressor for Mixture-of-Experts LLMs Gains More

Wei Huang, Yue Liao, Jianhui Liu, Ruifei He, Haoru Tan, Shiming Zhang, Hongsheng Li, Si Liu, Xiaojuan Qi

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Mixture-of-Experts large language models (MoE-LLMs) marks a significant step forward of language models, however, they encounter two critical challenges in practice: 1) expert parameters lead to considerable memory consumption and loading latency; and 2) the current activated experts are redundant, as many tokens may only require a single expert. Motivated by these issues, we investigate the MoE-LLMs and make two key observations: a) different experts exhibit varying behaviors on activation reconstruction error, routing scores, and activated frequencies, highlighting their differing importance, and b) not all tokens are equally important-- only a small subset is critical. Building on these insights, we propose MC, a training-free Mixture-Compressor for MoE-LLMs, which leverages the significance of both experts and tokens to achieve an extreme compression. First, to mitigate storage and loading overheads, we introduce Pre-Loading Mixed-Precision Quantization (PMQ), which formulates the adaptive bit-width allocation as a Linear Programming (LP) problem, where the objective function balances multi-factors reflecting the importance of each expert. Additionally, we develop Online Dynamic Pruning (ODP), which identifies important tokens to retain and dynamically select activated experts for other tokens during inference to optimize efficiency while maintaining performance. Our MC integrates static quantization and dynamic pruning to collaboratively achieve extreme compression for MoE-LLMs with less accuracy loss, ensuring an optimal trade-off between performance and efficiency Extensive experiments confirm the effectiveness of our approach. For instance, at 2.54 bits, MC compresses 76.6% of the model, with only a 3.8% average accuracy loss. During dynamic inference, we further reduce activated parameters by 15%, with a performance drop of less than 0.6%. Remarkably, MC even surpasses floating-point 13b dense LLMs with significantly smaller parameter sizes, suggesting that mixture compression in MoE-LLMs has the potential to outperform both comparable and larger dense LLMs. Our code is available at https://github.com/Aaronhuang-778/MC-MoE

Poster
Causal Graphical Models for Vision-Language Compositional Understanding

Fiorenzo Parascandolo, Nicholas Moratelli, Enver Sangineto, Lorenzo Baraldi, Rita Cucchiara

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Recent work has empirically shown that Vision-Language Models (VLMs) struggle to fully understand the compositional properties of the human language, usually modeling an image caption as a “bag of words”. As a result, they perform poorly on compositional tasks, which require a deeper understanding of the different entities of a sentence (subject, verb, etc.) jointly with their mutual relationships in order to be solved. In this paper, we model the dependency relations among textual and visual tokens using a Causal Graphical Model (CGM), built using a dependency parser, and we train a decoder conditioned by the VLM visual encoder. Differently from standard autoregressive or parallel predictions, our decoder’s generative process is partially-ordered following the CGM structure. This structure encourages the decoder to learn only the main causal dependencies in a sentence discarding spurious correlations. Using extensive experiments on five compositional benchmarks, we show that our method significantly outperforms all the state-of-the-art compositional approaches by a large margin, and it also improves over methods trained using much larger datasets. Our model weights and code are publicly available.

Poster
Posterior-Mean Rectified Flow: Towards Minimum MSE Photo-Realistic Image Restoration

Guy Ohayon, Tomer Michaeli, Michael Elad

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Photo-realistic image restoration algorithms are typically evaluated by distortion measures (e.g., PSNR, SSIM) and by perceptual quality measures (e.g., FID, NIQE), where the desire is to attain the lowest possible distortion without compromising on perceptual quality. To achieve this goal, current methods commonly attempt to sample from the posterior distribution, or to optimize a weighted sum of a distortion loss (e.g., MSE) and a perceptual quality loss (e.g., GAN). Unlike previous works, this paper is concerned specifically with the *optimal* estimator that minimizes the MSE under a constraint of perfect perceptual index, namely where the distribution of the reconstructed images is equal to that of the ground-truth ones. A recent theoretical result shows that such an estimator can be constructed by optimally transporting the posterior mean prediction (MMSE estimate) to the distribution of the ground-truth images. Inspired by this result, we introduce Posterior-Mean Rectified Flow (PMRF), a simple yet highly effective algorithm that approximates this optimal estimator. In particular, PMRF first predicts the posterior mean, and then transports the result to a high-quality image using a rectified flow model that approximates the desired optimal transport map. We investigate the theoretical utility of PMRF and demonstrate that it consistently outperforms previous methods on a variety of image restoration tasks.

Poster
GI-GS: Global Illumination Decomposition on Gaussian Splatting for Inverse Rendering

HONGZE CHEN, Zehong Lin, Jun Zhang

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We present GI-GS, a novel inverse rendering framework that leverages 3D Gaussian Splatting (3DGS) and deferred shading to achieve photo-realistic novel view synthesis and relighting. In inverse rendering, accurately modeling the shading processes of objects is essential for achieving high-fidelity results. Therefore, it is critical to incorporate global illumination to account for indirect lighting that reaches an object after multiple bounces across the scene. Previous 3DGS-based methods have attempted to model indirect lighting by characterizing indirect illumination as learnable lighting volumes or additional attributes of each Gaussian, while using baked occlusion to represent shadow effects. These methods, however, fail to accurately model the complex physical interactions between light and objects, making it impossible to construct realistic indirect illumination during relighting. To address this limitation, we propose to calculate indirect lighting using efficient path tracing with deferred shading. In our framework, we first render a G-buffer to capture the detailed geometry and material properties of the scene. Then, we perform physically-based rendering (PBR) only for direct lighting. With the G-buffer and previous rendering results, the indirect lighting can be calculated through a lightweight path tracing. Our method effectively models indirect lighting under any given lighting conditions, thereby achieving better novel view synthesis and competitive relighting. Quantitative and qualitative results show that our GI-GS outperforms existing baselines in both rendering quality and efficiency. Project page: https://stopaimme.github.io/GI-GS-site/.

Poster
SCBench: A KV Cache-Centric Analysis of Long-Context Methods

YUCHENG LI, Huiqiang Jiang, Qianhui Wu, Xufang Luo, Surin Ahn, Chengruidong Zhang, Amir H. Abdi, Dongsheng Li, Jianfeng Gao, Yuqing Yang, Lili Qiu

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Long-context Large Language Models (LLMs) have enabled numerous downstream applications but also introduced significant challenges related to computational and memory efficiency. To address these challenges, optimizations for long-context inference have been developed, centered around the KV cache. However, existing benchmarks often evaluate in single-request, neglecting the full lifecycle of the KV cache in real-world use. This oversight is particularly critical, as KV cache reuse has become widely adopted in LLMs inference frameworks, such as vLLM and SGLang, as well as by LLM providers, including OpenAI, Microsoft, Google, and Anthropic. To address this gap, we introduce SCBENCH (SharedContextBENCH), a comprehensive benchmark for evaluating long-context methods from a KV cache centric perspective: 1) KV cache generation, 2) KV cache compression, 3) KV cache retrieval, and 4) KV cache loading. Specifically, SCBench uses test examples with shared context, ranging 12 tasks with two shared context modes, covering four categories of long-context capabilities: string retrieval, semantic retrieval, global information, and multi-task. With SCBench, we provide an extensive KV cache-centric analysis of eight categories long-context solutions, including Gated Linear RNNs (Codestal-Mamba), Mamba-Attention hybrids (Jamba-1.5-Mini), and efficient methods such as sparse attention, KV cache dropping, quantization, retrieval, loading, and prompt compression. The evaluation is conducted on six Transformer-based long-context LLMs: Llama-3.1-8B/70B, Qwen2.5-72B/32B, Llama-3-8B-262K, and GLM-4-9B. Our findings show that sub-O(n) memory methods suffer in multi-turn scenarios, while sparse encoding with O(n) memory and sub-O(n^2) pre-filling computation perform robustly. Dynamic sparsity yields more expressive KV caches than static patterns, and layer-level sparsity in hybrid architectures reduces memory usage with strong performance. Additionally, we identify attention distribution shift issues in long-generation scenarios.

Poster
LIFe-GoM: Generalizable Human Rendering with Learned Iterative Feedback Over Multi-Resolution Gaussians-on-Mesh

Jing Wen, Alex Schwing, Shenlong Wang

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Generalizable rendering of an animatable human avatar from sparse inputs relies on data priors and inductive biases extracted from training on large data to avoid scene-specific optimization and to enable fast reconstruction. This raises two main challenges: First, unlike iterative gradient-based adjustment in scene-specific optimization, generalizable methods must reconstruct the human shape representation in a single pass at inference time. Second, rendering is preferably computationally efficient yet of high resolution. To address both challenges we augment the recently proposed dual shape representation, which combines the benefits of a mesh and Gaussian points, in two ways. To improve reconstruction, we propose an iterative feedback update framework, which successively improves the canonical human shape representation during reconstruction. To achieve computationally efficient yet high-resolution rendering, we study a coupled-multi-resolution Gaussians-on-Mesh representation. We evaluate the proposed approach on the challenging THuman2.0, XHuman and AIST++ data. Our approach reconstructs an animatable representation from sparse inputs in less than 1s, renders views with 95.1FPS at $1024 \times 1024$, and achieves PSNR/LPIPS*/FID of 24.65/110.82/51.27 on THuman2.0, outperforming the state-of-the-art in rendering quality.

Poster
Depth Any Video with Scalable Synthetic Data

Honghui Yang, Di Huang, Wei Yin, Chunhua Shen, Haifeng Liu, Xiaofei He, Binbin Lin, Wanli Ouyang, Tong He

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Video depth estimation has long been hindered by the scarcity of consistent and scalable ground truth data, leading to inconsistent and unreliable results. In this paper, we introduce Depth Any Video, a model that tackles the challenge through two key innovations. First, we develop a scalable synthetic data pipeline, capturing real-time video depth data from diverse virtual environments, yielding 40,000 video clips of 5-second duration, each with precise depth annotations. Second, we leverage the powerful priors of generative video diffusion models to handle real-world videos effectively, integrating advanced techniques such as rotary position encoding and flow matching to further enhance flexibility and efficiency. Unlike previous models, which are limited to fixed-length video sequences, our approach introduces a novel mixed-duration training strategy that handles videos of varying lengths and performs robustly across different frame rates—even on single frames. At inference, we propose a depth interpolation method that enables our model to infer high-resolution video depth across sequences of up to 150 frames. Our model outperforms all previous generative depth models in terms of spatial accuracy and temporal consistency. The code and model weights are open-sourced.

Poster
Robust-PIFu: Robust Pixel-aligned Implicit Function for 3D Human Digitalization from a Single Image

Kennard Chan, Fayao Liu, Guosheng Lin, Chuan-Sheng Foo, Weisi Lin

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Existing methods for 3D clothed human digitalization perform well when the input image is captured in ideal conditions that assume the lack of any occlusion. However, in reality, images may often have occlusion problems such as incomplete observation of the human subject's full body, self-occlusion by the human subject, and non-frontal body pose. When given such input images, these existing methods fail to perform adequately. Thus, we propose Robust-PIFu, a pixel-aligned implicit model that capitalized on large-scale, pretrained latent diffusion models to address the challenge of digitalizing human subjects from non-ideal images that suffer from occlusions. Robust-PIfu offers four new contributions. Firstly, we propose a 'disentangling' latent diffusion model. This diffusion model, pretrained on billions of images, takes in any input image and removes external occlusions, such as inter-person occlusions, from that image. Secondly, Robust-PIFu addresses internal occlusions like self-occlusion by introducing a `penetrating' latent diffusion model. This diffusion model outputs multi-layered normal maps that by-pass occlusions caused by the human subject's own limbs or other body parts (i.e. self-occlusion). Thirdly, in order to incorporate such multi-layered normal maps into a pixel-aligned implicit model, we introduce our Layered-Normals Pixel-aligned Implicit Model, which improves the structural accuracy of predicted clothed human meshes. Lastly, Robust-PIFu proposes an optional super-resolution mechanism for the multi-layered normal maps. This addresses scenarios where the input image is of low or inadequate resolution. Though not strictly related to occlusion, this is still an important subproblem. Our experiments show that Robust-PIFu outperforms current SOTA methods both qualitatively and quantitatively. Our code will be released to the public.

Poster
Vision Language Models are In-Context Value Learners

Yecheng Jason Ma, Joey Hejna, Chuyuan Fu, Dhruv Shah, Jacky Liang, Zhuo Xu, Sean Kirmani, Peng Xu, Danny Driess, Ted Xiao, Osbert Bastani, Dinesh Jayaraman, Wenhao Yu, Tingnan Zhang, Dorsa Sadigh, Fei Xia

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Predicting temporal progress from visual trajectories is important for intelligent robots that can learn, adapt, and improve. However, learning such progress estimator, or temporal value function, across different tasks and domains requires both a large amount of diverse data and methods which can scale and generalize. To address these challenges, we present Generative Value Learning (GVL), a universal value function estimator that leverages the world knowledge embedded in vision-language models (VLMs) to predict task progress. Naively asking a VLM to predict values for a video sequence performs poorly due to the strong temporal correlation between successive frames. Instead, GVL poses value estimation as a temporal ordering problem over shuffled video frames; this seemingly more challenging task encourages VLMs to more fully exploit their underlying semantic and temporal grounding capabilities to differentiate frames based on their perceived task progress, consequently producing significantly better value predictions. Without any robot or task specific training, GVL can in-context zero-shot and few-shot predict effective values for more than 300 distinct real-world tasks across diverse robot platforms, including challenging bimanual manipulation tasks. Furthermore, we demonstrate that GVL permits flexible multi-modal in-context learning via examples from heterogeneous tasks and embodiments, such as human videos. The generality of GVL enables various downstream applications pertinent to visuomotor policy learning, including dataset filtering, success detection, and value-weighted regression -- all without any model training or finetuning.

Spotlight
CS-Bench: A Comprehensive Benchmark for Large Language Models towards Computer Science Mastery

Xiaoshuai Song, Muxi Diao, Guanting Dong, Zhengyang Wang, Yujia Fu, Runqi Qiao, Zhexu Wang, Dayuan Fu, Huangxuan Wu, Bin Liang, Weihao Zeng, Yejie Wang, Zhuoma GongQue, Jianing Yu, Qiuna Tan, Weiran Xu

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Large language models (LLMs) have demonstrated significant potential in advancing various fields of research and society. However, the current community of LLMs overly focuses on benchmarks for analyzing specific foundational skills (e.g. mathematics and code generation), neglecting an all-round evaluation of the computer science field. To bridge this gap, we introduce CS-Bench, the first multilingual (English, Chinese, French, German) benchmark dedicated to evaluating the performance of LLMs in computer science. CS-Bench comprises approximately 10K meticulously curated test samples, covering 26 subfields across 4 key areas of computer science, encompassing various task forms and divisions of knowledge and reasoning. Utilizing CS-Bench, we conduct a comprehensive evaluation of over 30 mainstream LLMs, revealing the relationship between CS performance and model scales. We also quantitatively analyze the reasons for failures in existing LLMs and highlight directions for improvements, including knowledge supplementation and CS-specific reasoning. Further cross-capability experiments show a high correlation between LLMs' capabilities in computer science and their abilities in mathematics and coding. Moreover, expert LLMs specialized in mathematics and coding also demonstrate strong performances in several CS subfields. Looking ahead, we envision CS-Bench serving as a cornerstone for LLM applications in the CS field and paving new avenues in assessing LLMs' diverse reasoning capabilities. Our project homepage is available at https://csbench.github.io/.

Poster
Linear Spherical Sliced Optimal Transport: A Fast Metric for Comparing Spherical Data

Xinran Liu, Yikun Bai, Rocio Diaz Martin, Kaiwen Shi, Ashkan Shahbazi, Bennett Allan Landman, Catie Chang, Soheil Kolouri

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Efficient comparison of spherical probability distributions becomes important in fields such as computer vision, geosciences, and medicine. Sliced optimal transport distances, such as spherical and stereographic spherical sliced Wasserstein distances, have recently been developed to address this need. These methods reduce the computational burden of optimal transport by slicing hyperspheres into one-dimensional projections, i.e., lines or circles. Concurrently, linear optimal transport has been proposed to embed distributions into $L^2$ spaces, where the $L^2$ distance approximates the optimal transport distance, thereby simplifying comparisons across multiple distributions. In this work, we introduce the Linear Spherical Sliced Optimal Transport (LSSOT) framework, which utilizes slicing to embed spherical distributions into $L^2$ spaces while preserving their intrinsic geometry, offering a computationally efficient metric for spherical probability measures. We establish the metricity of LSSOT and demonstrate its superior computational efficiency in applications such as cortical surface registration, 3D point cloud interpolation via gradient flow, and shape embedding. Our results demonstrate the significant computational benefits and high accuracy of LSSOT in these applications.

Spotlight
BIRD: A Trustworthy Bayesian Inference Framework for Large Language Models

Yu Feng, Ben Zhou, Weidong Lin, Dan Roth

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Predictive models often need to work with incomplete information in real-world tasks. Consequently, they must provide reliable probability or confidence estimation, especially in large-scale decision-making and planning tasks. Current large language models (LLMs) are insufficient for accurate estimations, but they can generate relevant factors that may affect the probabilities, produce coarse-grained probabilities when the information is more complete, and help determine which factors are relevant to specific downstream contexts. In this paper, we make use of these capabilities of LLMs to provide a significantly more accurate probabilistic estimation. We propose BIRD, a novel probabilistic inference framework that aligns a Bayesian network with LLM abductions and then estimates more accurate probabilities in a deduction step. We show BIRD provides reliable probability estimations that are 30% better than those provided directly by LLM baselines. These estimates further contribute to better and more trustworthy decision making.

Oral
MIA-DPO: Multi-Image Augmented Direct Preference Optimization For Large Vision-Language Models

Ziyu Liu, Yuhang Zang, Xiaoyi Dong, Pan Zhang, Yuhang Cao, Haodong Duan, Conghui He, Yuanjun Xiong, Dahua Lin, Jiaqi Wang

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Visual preference alignment involves training Large Vision-Language Models (LVLMs) to predict human preferences between visual inputs. This is typically achieved by using labeled datasets of chosen/rejected pairs and employing optimization algorithms like direct preference optimization (DPO). Existing visual alignment methods, primarily designed for single-image scenarios, struggle to effectively handle the complexity of multi-image tasks due to the scarcity of diverse training data and the high cost of annotating chosen/rejected pairs. We present Multi-Image Augmented Direct Preference Optimization (MIA-DPO), a visual preference alignment approach that effectively handles multi-image inputs. MIA-DPO mitigates the scarcity of diverse multi-image training data by extending single-image data with unrelated images arranged in grid collages or pic-in-pic formats, significantly reducing the costs associated with multi-image data annotations. Our observation reveals that attention values of LVLMs vary considerably across different images. We use attention values to identify and filter out rejected responses the model may have mistakenly focused on. Our attention-aware selection for constructing the chosen/rejected pairs without relying on (i) human annotation, (ii) extra data, and (iii) external models or APIs. MIA-DPO is compatible with various architectures and outperforms existing methods on five multi-image benchmarks, achieving an average performance boost of 3.0% on LLaVA-v1.5 and 4.3% on the recent InternLM-XC2.5. Moreover, MIA-DPO has a minimal effect on the model's ability to understand single images.

Poster
Action Sequence Augmentation for Action Anticipation

Yihui Qiu, Deepu Rajan

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Action anticipation models require an understanding of temporal action patterns and dependencies to predict future actions from previous events. The key challenges arise from the vast number of possible action sequences, given the flexibility in action ordering and the interleaving of multiple goals. Since only a subset of such action sequences are present in action anticipation datasets, there is an inherent ordering bias in them. Another challenge is the presence of noisy input to the models due to erroneous action recognition or other upstream tasks. This paper addresses these challenges by introducing a novel data augmentation strategy that separately augments observed action sequences and next actions. To address biased action ordering, we introduce a grammar induction algorithm that derives a powerful context-free grammar from action sequence data. We also develop an efficient parser to generate plausible next-action candidates beyond the ground truth. For noisy input, we enhance model robustness by randomly deleting or replacing actions in observed sequences. Our experiments on the 50Salads, EGTEA Gaze+, and Epic-Kitchens-100 datasets demonstrate significant performance improvements over existing state-of-the-art methods.

Poster
Vision CNNs trained to estimate spatial latents learned similar ventral-stream-aligned representations

Yudi Xie, Weichen Huang, Esther Alter, Jeremy Schwartz, Joshua B. Tenenbaum, James J. DiCarlo

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Studies of the functional role of the primate ventral visual stream have traditionally focused on object categorization, often ignoring -- despite much prior evidence -- its role in estimating "spatial" latents such as object position and pose. Most leading ventral stream models are derived by optimizing networks for object categorization, which seems to imply that the ventral stream is also derived under such an objective. Here, we explore an alternative hypothesis: Might the ventral stream be optimized for estimating spatial latents? And a closely related question: How different -- if at all -- are representations learned from spatial latent estimation compared to categorization? To ask these questions, we leveraged synthetic image datasets generated by a 3D graphic engine and trained convolutional neural networks (CNNs) to estimate different combinations of spatial and category latents. We found that models trained to estimate just a few spatial latents achieve neural alignment scores comparable to those trained on hundreds of categories, and the spatial latent performance of models strongly correlates with their neural alignment. Spatial latent and category-trained models have very similar -- but not identical -- internal representations, especially in their early and middle layers. We provide evidence that this convergence is partly driven by non-target latent variability in the training data, which facilitates the implicit learning of representations of those non-target latents. Taken together, these results suggest that many training objectives, such as spatial latents, can lead to similar models aligned neurally with the ventral stream. Thus, one should not assume that the ventral stream is optimized for object categorization only. As a field, we need to continue to sharpen our measures of comparing models to brains to better understand the functional roles of the ventral stream.

Poster
3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling

Qizhi Pei, Rui Yan, Kaiyuan Gao, Jinhua Zhu, Lijun Wu

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The integration of molecular and natural language representations has emerged as a focal point in molecular science, with recent advancements in Language Models (LMs) demonstrating significant potential for comprehensive modeling of both domains. However, existing approaches face notable limitations, particularly in their neglect of three-dimensional (3D) information, which is crucial for understanding molecular structures and functions. While some efforts have been made to incorporate 3D molecular information into LMs using external structure encoding modules, significant difficulties remain, such as insufficient interaction across modalities in pre-training and challenges in modality alignment. To address the limitations, we propose \textbf{3D-MolT5}, a unified framework designed to model molecule in both sequence and 3D structure spaces. The key innovation of our approach lies in mapping fine-grained 3D substructure representations into a specialized 3D token vocabulary. This methodology facilitates the seamless integration of sequence and structure representations in a tokenized format, enabling 3D-MolT5 to encode molecular sequences, molecular structures, and text sequences within a unified architecture. Leveraging this tokenized input strategy, we build a foundation model that unifies the sequence and structure data formats. We then conduct joint pre-training with multi-task objectives to enhance the model's comprehension of these diverse modalities within a shared representation space. Thus, our approach significantly improves cross-modal interaction and alignment, addressing key challenges in previous work. Further instruction tuning demonstrated that our 3D-MolT5 has strong generalization ability and surpasses existing methods with superior performance in multiple downstream tasks, such as nearly 70\% improvement on the molecular property prediction task compared to state-of-the-art methods. Our code is available at \url{https://github.com/QizhiPei/3D-MolT5}.

Poster
Learning Clustering-based Prototypes for Compositional Zero-Shot Learning

Hongyu Qu, Jianan Wei, Xiangbo Shu, Wenguan Wang

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Learning primitive (i.e., attribute and object) concepts from seen compositions is the primary challenge of Compositional Zero-Shot Learning (CZSL). Existing CZSL solutions typically rely on oversimplified data assumptions, e.g., modeling each primitive with a single centroid primitive presentation, ignoring the natural diversities of the attribute (resp. object) when coupled with different objects (resp. attribute). In this work, we develop ClusPro, a robust clustering-based prototype mining framework for CZSL that defines the conceptual boundaries of primitives through a set of diversified prototypes. Specifically, ClusPro conducts within-primitive clustering on the embedding space for automatically discovering and dynamically updating prototypes. To learn high-quality embeddings for discriminative prototype construction, ClusPro repaints a well-structured and independent primitive embedding space, ensuring intra-primitive separation and inter-primitive decorrelation through prototype-based contrastive learning and decorrelation learning. Moreover, ClusPro effectively performs prototype clustering in a non-parametric fashion without the introduction of additional learnable parameters or computational budget during testing. Experiments on three benchmarks demonstrate ClusPro outperforms various top-leading CZSL solutions under both closed-world and open-world settings. Our code is available at CLUSPRO.

Poster
RepoGraph: Enhancing AI Software Engineering with Repository-level Code Graph

Siru Ouyang, Wenhao Yu, Kaixin Ma, Zilin Xiao, Zhihan Zhang, Mengzhao Jia, Jiawei Han, Hongming Zhang, Dong Yu

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Large Language Models (LLMs) excel in code generation yet struggle with modern AI software engineering tasks. Unlike traditional function-level or file-level coding tasks, AI software engineering requires not only basic coding proficiency but also advanced skills in managing and interacting with code repositories. However, existing methods often overlook the need for repository-level code understanding, which is crucial for accurately grasping the broader context and developing effective solutions. On this basis, we present RepoGraph, a plug-in module that manages a repository-level structure for modern AI software engineering solutions. RepoGraph offers the desired guidance and serves as a repository-wide navigation for AI software engineers. We evaluate RepoGraph on the SWE-bench by plugging it into four different methods of two lines of approaches, where RepoGraph substantially boosts the performance of all systems, leading to a new state-of-the-art among open-source frameworks. Our analyses also demonstrate the extensibility and flexibility of RepoGraph by testing on another repo-level coding benchmark, CrossCodeEval. Our code is available at https://github.com/ozyyshr/RepoGraph.

Poster