ICLR 2025 论文列表

Hierarchical visual processing is essential for cognitive functions like object recognition and spatial localization. Traditional studies of the neural basis of these computations have focused on single-neuron activity, but recent advances in large-scale neural recordings emphasize the growing need to understand computations at the population level. Digital twins-computational models trained on neural data-have successfully replicated single-neuron behavior, but their effectiveness in capturing the joint activity of neurons remains unclear. In this study, we investigate how well digital twins describe population responses in mouse visual cortex. We show that these models fail to accurately represent the geometry of population activity, particularly its differentiability and how this geometry evolves across the visual hierarchy. To address this, we explore how dataset, network architecture, loss function, and training method affect the ability of digital twins to recapitulate population properties. We demonstrate that improving model alignment with experiments requires training strategies that enhance robustness and generalization, reflecting principles observed in biological systems. These findings underscore the need to evaluate digital twins from multiple perspectives, identify key areas for refinement, and establish a foundation for using these models to explore neural computations at the population level.

The risk of language models reproducing copyrighted material from their training data has led to the development of various protective measures. Among these, inference-time strategies that impose constraints via post-processing have shown promise in addressing the complexities of copyright regulation. However, they often incur prohibitive computational costs or suffer from performance trade-offs. To overcome these limitations, we introduce Copyright-Protecting Model Fusion (CP-Fuse), a novel approach that combines models trained on disjoint sets of copyrighted material during inference. In particular, CP-Fuse adaptively aggregates the model outputs to minimize the reproduction of copyrighted content, adhering to a crucial balancing property to prevent the regurgitation of memorized data. Through extensive experiments, we show that CP-Fuse significantly reduces the reproduction of protected material without compromising the quality of text and code generation. Moreover, its post-hoc nature allows seamless integration with other protective measures, further enhancing copyright safeguards. Lastly, we show that CP-Fuse is robust against common techniques for extracting training data.

Recent advancements in diffusion models have been effective in learning data priors for solving inverse problems. They leverage diffusion sampling steps for inducing a data prior while using a measurement guidance gradient at each step to impose data consistency. For general inverse problems, approximations are needed when an unconditionally trained diffusion model is used since the measurement likelihood is intractable, leading to inaccurate posterior sampling. In other words, due to their approximations, these methods fail to preserve the generation process on the data manifold defined by the diffusion prior, leading to artifacts in applications such as image restoration. To enhance the performance and robustness of diffusion models in solving inverse problems, we propose Diffusion State-Guided Projected Gradient (DiffStateGrad), which projects the measurement gradient onto a subspace that is a low-rank approximation of an intermediate state of the diffusion process. DiffStateGrad, as a module, can be added to a wide range of diffusion-based inverse solvers to improve the preservation of the diffusion process on the prior manifold and filter out artifact-inducing components. We highlight that DiffStateGrad improves the robustness of diffusion models in terms of the choice of measurement guidance step size and noise while improving the worst-case performance. Finally, we demonstrate that DiffStateGrad improves upon the state-of-the-art on linear and nonlinear image restoration inverse problems. Our code is available at https://github.com/Anima-Lab/DiffStateGrad.

The site conditions that make astronomical observatories in space and on the ground so desirable---cold and dark---demand a physical remoteness that leads to limited data transmission capabilities. Such transmission limitations directly bottleneck the amount of data acquired and in an era of costly modern observatories, any improvements in lossless data compression has the potential scale to billions of dollars worth of additional science that can be accomplished on the same instrument. Traditional lossless methods for compressing astrophysical data are manually designed. Neural data compression, on the other hand, holds the promise of learning compression algorithms end-to-end from data and outperforming classical techniques by leveraging the unique spatial, temporal, and wavelength structures of astronomical images. This paper introduces [AstroCompress](https://huggingface.co/AstroCompress): a neural compression challenge for astrophysics data, featuring four new datasets (and one legacy dataset) with 16-bit unsigned integer imaging data in various modes: space-based, ground-based, multi-wavelength, and time-series imaging. We provide code to easily access the data and benchmark seven lossless compression methods (three neural and four non-neural, including all practical state-of-the-art algorithms). Our results on lossless compression indicate that lossless neural compression techniques can enhance data collection at observatories, and provide guidance on the adoption of neural compression in scientific applications. Though the scope of this paper is restricted to lossless compression, we also comment on the potential exploration of lossy compression methods in future studies.

Current long context large language models (LLMs) can process inputs up to 100,000 tokens, yet struggle to generate outputs exceeding even a modest length of 2,000 words. Through controlled experiments, we find that the model's effective generation length is inherently bounded by the sample it has seen during supervised fine-tuning (SFT). In other words, their output limitation is due to the scarcity of long-output examples in existing SFT datasets. To address this, we introduce AgentWrite, an agent-based pipeline that decomposes ultra-long generation tasks into subtasks, enabling off-the-shelf LLMs to generate coherent outputs exceeding 20,000 words. Leveraging AgentWrite, we construct LongWriter-6k, a dataset containing 6,000 SFT data with output lengths ranging from 2k to 32k words. By incorporating this dataset into model training, we successfully scale the output length of existing models to over 10,000 words while maintaining output quality. We also develop LongBench-Write, a comprehensive benchmark for evaluating ultra-long generation capabilities. Our 9B parameter model, further improved through DPO, achieves state-of-the-art performance on this benchmark, surpassing even much larger proprietary models. In general, our work demonstrates that existing long context LLM already possesses the potential for a larger output window--all you need is data with extended output during model alignment to unlock this capability.

We introduce CHAMP, a novel method for learning sequence-to-sequence, multi-hypothesis 3D human poses from 2D keypoints by leveraging a conditional distribution with a diffusion model. To predict a single output 3D pose sequence, we generate and aggregate multiple 3D pose hypotheses. For better aggregation results, we develop a method to score these hypotheses during training, effectively integrating conformal prediction into the learning process. This process results in a differentiable conformal predictor that is trained end-to-end with the 3D pose estimator. Post-training, the learned scoring model is used as the conformity score, and the 3D pose estimator is combined with a conformal predictor to select the most accurate hypotheses for downstream aggregation. Our results indicate that using a simple mean aggregation on the conformal prediction-filtered hypotheses set yields competitive results. When integrated with more sophisticated aggregation techniques, our method achieves state-of-the-art performance across various metrics and datasets while inheriting the probabilistic guarantees of conformal prediction.

While backpropagation effectively trains models, it presents challenges related to bio-plausibility, resulting in high memory demands and limited parallelism. Recently, Hinton (2022) proposed the Forward-Forward (FF) algorithm for high-parallel local updates. FF leverages squared sums as the local update target, termed goodness, and decouples goodness by normalizing the vector length to extract new features. However, this design encounters issues with feature scaling and deactivated neurons, limiting its application mainly to shallow networks. This paper proposes a novel goodness design utilizing **layer normalization** and **mean goodness** to overcome these challenges, demonstrating performance improvements even in 17-layer CNNs. Experiments on CIFAR-10, MNIST, and Fashion-MNIST show significant advantages over existing FF-based algorithms, highlighting the potential of FF in deep models. Furthermore, the model parallel strategy is proposed to achieve highly efficient training based on the property of local updates.

Air pollution significantly threatens human health and ecosystems, necessitating effective air quality prediction to inform public policy. Traditional approaches are generally categorized into physics-based and data-driven models. Physics-based models usually struggle with high computational demands and closed-system assumptions, while data-driven models may overlook essential physical dynamics, confusing the capturing of spatiotemporal correlations. Although some physics-guided approaches combine the strengths of both models, they often face a mismatch between explicit physical equations and implicit learned representations. To address these challenges, we propose Air-DualODE, a novel physics-guided approach that integrates dual branches of Neural ODEs for air quality prediction. The first branch applies open-system physical equations to capture spatiotemporal dependencies for learning physics dynamics, while the second branch identifies the dependencies not addressed by the first in a fully data-driven way. These dual representations are temporally aligned and fused to enhance prediction accuracy. Our experimental results demonstrate that Air-DualODE achieves state-of-the-art performance in predicting pollutant concentrations across various spatial scales, thereby offering a promising solution for real-world air quality challenges.

Large Language Models (LLMs) generating unsafe responses to toxic prompts is a significant issue in their applications. While various efforts aim to address this safety concern, previous approaches often demand substantial human data collection or rely on the less dependable option of using another LLM to generate corrective data. In this paper, we aim to take this problem and overcome limitations of requiring significant high-quality human data. Our method requires only a small set of unsafe responses to toxic prompts, easily obtained from the unsafe LLM itself. By employing a semantic cost combined with a negative Earth Mover Distance (EMD) loss, we guide the LLM away from generating unsafe responses. Additionally, we propose a novel lower bound for EMD loss, enabling more efficient optimization. Our results demonstrate superior performance and data efficiency compared to baselines, and we further examine the nuanced effects of over-alignment and potential degradation of language capabilities when using contrastive data.

With models getting stronger, evaluations have grown more complex, testing multiple skills in one benchmark and even in the same instance at once. However, skill-wise performance is obscured when inspecting aggregate accuracy, under-utilizing the rich signal modern benchmarks contain. We propose an automatic approach to recover the underlying skills relevant for any evaluation instance, by way of inspecting model-generated {\em rationales}. After validating the relevance of rationale-parsed skills and inferring skills for $46$k instances over $12$ benchmarks, we observe many skills to be common across benchmarks, resulting in the curation of hundreds of \emph{skill-slices} (i.e. sets of instances testing a common skill). Inspecting accuracy over these slices yields novel insights on model trade-offs: e.g., compared to GPT-4o and Claude 3.5 Sonnet, on average, Gemini 1.5 Pro is $18\%$ more accurate in \emph{computing molar mass}, but $19\\%$ less accurate in \emph{applying constitutional law}, despite the overall accuracies of the three models differing by a mere $0.4\\%$. Furthermore, we demonstrate the practical utility of our approach by showing that insights derived from skill slice analysis can generalize to held-out instances: when routing each instance to the model strongest on the relevant skills, we see a $3\\%$ accuracy improvement over our $12$ dataset corpus. Our skill-slices and framework open a new avenue in model evaluation, leveraging skill-specific analyses to unlock a more granular and actionable understanding of model capabilities.

Linear attention has emerged as a promising alternative to softmax-based attention, leveraging kernelized feature maps to reduce complexity from quadratic to linear in sequence length. However, the non-negative constraint on feature maps and the relaxed exponential function used in approximation lead to significant information loss compared to the original query-key dot products, resulting in less discriminative attention maps with higher entropy. To address the missing interactions driven by negative values in query-key pairs, we propose a polarity-aware linear attention mechanism that explicitly models both same-signed and opposite-signed query-key interactions, ensuring comprehensive coverage of relational information. Furthermore, to restore the spiky properties of attention maps, we provide a theoretical analysis proving the existence of a class of element-wise functions (with positive first and second derivatives) that can reduce entropy in the attention distribution. For simplicity, and recognizing the distinct contributions of each dimension, we employ a learnable power function for rescaling, allowing strong and weak attention signals to be effectively separated. Extensive experiments demonstrate that the proposed PolaFormer improves performance on various vision tasks, enhancing both expressiveness and efficiency by up to 4.6%.

The reasoning abilities are one of the most enigmatic and captivating aspects of large language models (LLMs). Numerous studies are dedicated to exploring and expanding the boundaries of this reasoning capability. However, tasks that embody both reasoning and recall characteristics are often overlooked. In this paper, we introduce such a novel task, code reasoning, to provide a new perspective for the reasoning abilities of LLMs. We summarize three meta-benchmarks based on established forms of logical reasoning, and instantiate these into eight specific benchmark tasks. Our testing on these benchmarks reveals that LLMs continue to struggle with identifying satisfactory reasoning pathways. Additionally, we present a new pathway exploration pipeline inspired by human intricate problem-solving methods. This Reflective Hypothesis Decomposition and Amendment (RHDA) pipeline consists of the following iterative steps: (1) Proposing potential hypotheses based on observations and decomposing them; (2) Utilizing tools to validate hypotheses and reflection outcomes; (3) Revising hypothesis in light of observations. Our approach effectively mitigates logical chain collapses arising from forgetting or hallucination issues in multi-step reasoning, resulting in performance gains of up to $3\times$. Finally, we expanded this pipeline by applying it to simulate complex household tasks in real-world scenarios, specifically in VirtualHome, enhancing the handling of failure cases. We release our code and all of results at https://github.com/TnTWoW/code_reasoning.

Recent advancements in integrating large language models (LLMs) with application programming interfaces (APIs) have gained significant interest in both academia and industry. Recent work demonstrates that these API-based agents exhibit relatively strong autonomy and planning capabilities. However, their ability to handle multi-dimensional difficulty levels, diverse task types, and real-world demands remains unknown. In this paper, we introduce \textsc{ShortcutsBench}, a large-scale benchmark for the comprehensive evaluation of API-based agents in solving real-world complex tasks. \textsc{ShortcutsBench} includes a wealth of real APIs from Apple Inc., refined user queries, human-annotated high-quality action sequences, detailed parameter filling values, and parameters requesting necessary input from the system or user. We revealed how existing benchmarks~/~datasets struggle to accommodate the advanced reasoning capabilities of existing more intelligent LLMs. Moreover, our extensive evaluation of agents built with $5$ leading open-source (size $\geq$ 57B) and $5$ closed-source LLMs (e.g. Gemini-1.5-Pro and GPT-4o-mini) with varying intelligence level reveals significant limitations of existing API-based agents in the whole process of handling complex queries related to API selection, parameter filling, and requesting necessary input from the system and the user. These findings highlight the great challenges that API-based agents face in effectively fulfilling real and complex user queries. All datasets, code, experimental logs, and results are available at https://github.com/EachSheep/ShortcutsBench

Message-passing graph neural networks (GNNs) excel at capturing local relationships but struggle with long-range dependencies in graphs. In contrast, graph transformers (GTs) enable global information exchange but often oversimplify the graph structure by representing graphs as sets of fixed-length vectors. This work introduces a novel architecture that overcomes the shortcomings of both approaches by combining the long-range information of random walks with local message passing. By treating random walks as sequences, our architecture leverages recent advances in sequence models to effectively capture long-range dependencies within these walks. Based on this concept, we propose a framework that offers (1) more expressive graph representations through random walk sequences, (2) the ability to utilize any sequence model for capturing long-range dependencies, and (3) the flexibility by integrating various GNN and GT architectures. Our experimental evaluations demonstrate that our approach achieves competitive performance on 19 graph and node benchmark datasets, notably outperforming existing methods by up to 13\% on the PascalVoc-SP and COCO-SP datasets. Code: https://github.com/BorgwardtLab/NeuralWalker

Classifier-Free Guidance (CFG) is a critical technique for enhancing the sample quality of visual generative models. However, in autoregressive (AR) multi-modal generation, CFG introduces design inconsistencies between language and visual content, contradicting the design philosophy of unifying different modalities for visual AR. Motivated by language model alignment methods, we propose Condition Contrastive Alignment (CCA) to facilitate guidance-free AR visual generation. Unlike guidance methods that alter the sampling process to achieve the ideal sampling distribution, CCA directly fine-tunes pretrained models to fit the same distribution target. Experimental results show that CCA can significantly enhance the guidance-free performance of all tested models with just one epoch of fine-tuning (1% of pretraining epochs) on the pretraining dataset. This largely removes the need for guided sampling in AR visual generation and cuts the sampling cost by half. Moreover, by adjusting training parameters, CCA can achieve trade-offs between sample diversity and fidelity similar to CFG. This experimentally confirms the strong theoretical connection between language-targeted alignment and visual-targeted guidance methods, unifying two previously independent research fields.

Public urban spaces such as streetscapes and plazas serve residents and accommodate social life in all its vibrant variations. Recent advances in robotics and embodied AI make public urban spaces no longer exclusive to humans. Food delivery bots and electric wheelchairs have started sharing sidewalks with pedestrians, while robot dogs and humanoids have recently emerged in the street. **Micromobility** enabled by AI for short-distance travel in public urban spaces plays a crucial component in future transportation systems. It is essential to ensure the generalizability and safety of AI models used for maneuvering mobile machines. In this work, we present **MetaUrban**, a *compositional* simulation platform for the AI-driven urban micromobility research. MetaUrban can construct an *infinite* number of interactive urban scenes from compositional elements, covering a vast array of ground plans, object placements, pedestrians, vulnerable road users, and other mobile agents' appearances and dynamics. We design point navigation and social navigation tasks as the pilot study using MetaUrban for urban micromobility research and establish various baselines of Reinforcement Learning and Imitation Learning. We conduct extensive evaluation across mobile machines, demonstrating that heterogeneous mechanical structures significantly influence the learning and execution of AI policies. We perform a thorough ablation study, showing that the compositional nature of the simulated environments can substantially improve the generalizability and safety of the trained mobile agents. MetaUrban will be made publicly available to provide research opportunities and foster safe and trustworthy embodied AI and micromobility in cities. The code and data have been released.

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.

The fusion of raw sensor data to create a Bird's Eye View (BEV) representation is critical for autonomous vehicle planning and control. Despite the growing interest in using deep learning models for BEV semantic segmentation, anticipating segmentation errors and enhancing the explainability of these models remain underexplored. This paper introduces a comprehensive benchmark for predictive uncertainty quantification in BEV segmentation, evaluating multiple uncertainty quantification methods across three popular datasets with three representative network architectures. Our study focuses on the effectiveness of quantified uncertainty in detecting misclassified and out-of-distribution (OOD) pixels while also improving model calibration. Through empirical analysis, we uncover challenges in existing uncertainty quantification methods and demonstrate the potential of evidential deep learning techniques, which capture both aleatoric and epistemic uncertainty. To address these challenges, we propose a novel loss function, Uncertainty-Focal-Cross-Entropy (UFCE), specifically designed for highly imbalanced data, along with a simple uncertainty-scaling regularization term that improves both uncertainty quantification and model calibration for BEV segmentation.

Recent advancements in diffusion bridges for distribution transport problems have heavily relied on matching frameworks, yet existing methods often face a trade-off between scalability and access to optimal pairings during training. Fully unsupervised methods make minimal assumptions but incur high computational costs, limiting their practicality. On the other hand, imposing full supervision of the matching process with optimal pairings improves scalability, however, it can be infeasible in most applications. To strike a balance between scalability and minimal supervision, we introduce Feedback Schrödinger Bridge Matching (FSBM), a novel semi-supervised matching framework that incorporates a small portion ($<8$% of the entire dataset) of pre-aligned pairs as state feedback to guide the transport map of non-coupled samples, thereby significantly improving efficiency. This is achieved by formulating a static Entropic Optimal Transport (EOT) problem with an additional term capturing the semi-supervised guidance. The generalized EOT objective is then recast into a dynamic formulation to leverage the scalability of matching frameworks. Extensive experiments demonstrate that FSBM accelerates training and enhances generalization by leveraging coupled pairs' guidance, opening new avenues for training matching frameworks with partially aligned datasets.