ICLR 2025 Papers

Virtual try-on methods based on diffusion models achieve realistic effects but often require additional encoding modules, a large number of training parameters, and complex preprocessing, which increases the burden on training and inference. In this work, we re-evaluate the necessity of additional modules and analyze how to improve training efficiency and reduce redundant steps in the inference process. Based on these insights, we propose CatVTON, a simple and efficient virtual try-on diffusion model that transfers in-shop or worn garments of arbitrary categories to target individuals by concatenating them along spatial dimensions as inputs of the diffusion model. The efficiency of CatVTON is reflected in three aspects: (1) Lightweight network. CatVTON consists only of a VAE and a simplified denoising UNet, removing redundant image and text encoders as well as cross-attentions, and includes just 899.06M parameters. (2) Parameter-efficient training. Through experimental analysis, we identify self-attention modules as crucial for adapting pre-trained diffusion models to the virtual try-on task, enabling high-quality results with only 49.57M training parameters. (3) Simplified inference. CatVTON eliminates unnecessary preprocessing, such as pose estimation, human parsing, and captioning, requiring only a person image and garment reference to guide the virtual try-on process, reducing over 49% memory usage compared to other diffusion-based methods. Extensive experiments demonstrate that CatVTON achieves superior qualitative and quantitative results compared to baseline methods and demonstrates strong generalization performance in in-the-wild scenarios, despite being trained solely on public datasets with 73K samples.

Physics-informed deep learning often faces optimization challenges due to the complexity of solving partial differential equations (PDEs), which involve exploring large solution spaces, require numerous iterations, and can lead to unstable training. These challenges arise particularly from the ill-conditioning of the optimization problem, caused by the differential terms in the loss function. To address these issues, we propose learning a solver, i.e., solving PDEs using a physics-informed iterative algorithm trained on data. Our method learns to condition a gradient descent algorithm that automatically adapts to each PDE instance, significantly accelerating and stabilizing the optimization process and enabling faster convergence of physics-aware models. Furthermore, while traditional physics-informed methods solve for a single PDE instance, our approach addresses parametric PDEs. Specifically, our method integrates the physical loss gradient with the PDE parameters to solve over a distribution of PDE parameters, including coefficients, initial conditions, or boundary conditions. We demonstrate the effectiveness of our method through empirical experiments on multiple datasets, comparing training and test-time optimization performance.

While large language models (LLMs) have shown exceptional capabilities in understanding complex queries and performing sophisticated tasks, their generalization abilities are often deeply entangled with memorization, necessitating more precise evaluation. To address this challenge, we introduce Scylla, a dynamic evaluation framework that quantitatively measures the generalization abilities of LLMs. Scylla disentangles generalization from memorization via assessing model performance on both in-distribution (ID) and out-of-distribution (OOD) data through 20 tasks across 5 levels of complexity. Through extensive experiments, we uncover a non-monotonic relationship between task complexity and the performance gap between ID and OOD data, which we term the generalization valley. Specifically, this phenomenon reveals a critical threshold---referred to as critical complexity---where reliance on non-generalizable behavior peaks, indicating the upper bound of LLMs' generalization capabilities. As model size increases, the critical complexity shifts toward higher levels of task complexity, suggesting that larger models can handle more complex reasoning tasks before over-relying on memorization. Leveraging Scylla and the concept of critical complexity, we benchmark 28 LLMs including both open-sourced models such as LLaMA and Qwen families, and closed-sourced models like Claude and GPT, providing a more robust evaluation and establishing a clearer understanding of LLMs' generalization capabilities.

Molecular assembly, where a cluster of rigid molecules aggregated into strongly correlated forms, is fundamental to determining the properties of materials. However, traditional numerical methods for simulating this process are computationally expensive, and existing generative models on material generation overlook the rigidity inherent in molecular structures, leading to unwanted distortions and invalid internal structures in molecules. To address this, we introduce AssembleFlow. AssembleFlow leverages inertial frames to establish reference coordinate systems at the molecular level for tracking the orientation and motion of molecules within the cluster. It further decomposes molecular $\text{SE}(3)$ transformations into translations in $\mathbb{R}^3$ and rotations in $\text{SO}(3)$, enabling explicit enforcement of both translational and rotational rigidity during each generation step within the flow matching framework. This decomposition also empowers distinct probability paths for each transformation group, effectively allowing for the separate learning of their velocity functions: the former, moving in Euclidean space, uses linear interpolation (LERP), while the latter, evolving in spherical space, employs spherical linear interpolation (SLERP) with a closed-form solution. Empirical validation on the benchmarking data COD-Cluster17 shows that AssembleFlow significantly outperforms six competitive deep learning baselines by at least 45\% in assembly matching scores while maintaining 100\% molecular integrity. Also, it matches the assembly performance of a widely used domain-specific simulation tool while reducing computational cost by 25-fold.

Vision-centric autonomous driving has demonstrated excellent performance with economical sensors. As the fundamental step, 3D perception aims to infer 3D information from 2D images based on 3D-2D projection. This makes driving perception models susceptible to sensor configuration (e.g., camera intrinsics and extrinsics) variations. However, generalizing across camera configurations is important for deploying autonomous driving models on different car models. In this paper, we present UniDrive, a novel framework for vision-centric autonomous driving to achieve universal perception across camera configurations. We deploy a set of unified virtual cameras and propose a ground-aware projection method to effectively transform the original images into these unified virtual views. We further propose a virtual configuration optimization method by minimizing the expected projection error between original and virtual cameras. The proposed virtual camera projection can be applied to existing 3D perception methods as a plug-and-play module to mitigate the challenges posed by camera parameter variability, resulting in more adaptable and reliable driving perception models. To evaluate the effectiveness of our framework, we collect a dataset on CARLA by driving the same routes while only modifying the camera configurations. Experimental results demonstrate that our method trained on one specific camera configuration can generalize to varying configurations with minor performance degradation.

We propose a Competitive Low-Rank Adaptation (ComLoRA) framework to address the limitations of the LoRA method, which either lacks capacity with a single rank-$r$ LoRA or risks inefficiency and overfitting with a larger rank-$Kr$ LoRA, where $K$ is an integer larger than 1. The proposed ComLoRA method initializes $K$ distinct LoRA components, each with rank $r$, and allows them to compete during training. This competition drives each LoRA component to outperform the others, improving overall model performance. The best-performing LoRA is selected based on validation metrics, ensuring that the final model outperforms a single rank-$r$ LoRA and matches the effectiveness of a larger rank-$Kr$ LoRA, all while avoiding extra computational overhead during inference. To the best of our knowledge, this is the first work to introduce and explore competitive learning in the context of LoRA optimization. The ComLoRA's code is available at https://github.com/hqsiswiliam/comlora.

Diffusion models for continuous data gained widespread adoption owing to their high quality generation and control mechanisms. However, controllable diffusion on discrete data faces challenges given that continuous guidance methods do not directly apply to discrete diffusion. Here, we provide a straightforward derivation of classifier-free and classifier-based guidance for discrete diffusion, as well as a new class of diffusion models that leverage uniform noise and that are more guidable because they can continuously edit their outputs. We improve the quality of these models with a novel continuous-time variational lower bound that yields state-of-the-art performance, especially in settings involving guidance or fast generation. Empirically, we demonstrate that our guidance mechanisms combined with uniform noise diffusion improve controllable generation relative to autoregressive and diffusion baselines on several discrete data domains, including genomic sequences, small molecule design, and discretized image generation.

We study computationally and statistically efficient Reinforcement Learning algorithms for the *linear Bellman Complete* setting. This setting uses linear function approximation to capture value functions and unifies existing models like linear Markov Decision Processes (MDP) and Linear Quadratic Regulators (LQR). While it is known from the prior works that this setting is statistically tractable, it remained open whether a computationally efficient algorithm exists. Our work provides a computationally efficient algorithm for the linear Bellman complete setting that works for MDPs with large action spaces, random initial states, and random rewards but relies on the underlying dynamics to be deterministic. Our approach is based on randomization: we inject random noise into least squares regression problems to perform optimistic value iteration. Our key technical contribution is to carefully design the noise to only act in the null space of the training data to ensure optimism while circumventing a subtle error amplification issue.

LLMs are commonly trained with a learning rate (LR) warmup, followed by cosine decay to 10% of the maximum (10x decay). In a large-scale empirical study, we show that under an optimal peak LR, a simple linear decay-to-zero (D2Z) schedule consistently outperforms other schedules when training at compute-optimal dataset sizes. D2Z is superior across a range of model sizes, batch sizes, datasets, and vocabularies. Benefits increase as dataset size increases. Leveraging a novel interpretation of AdamW as an exponential moving average of weight updates, we show how linear D2Z optimally balances the demands of early training (moving away from initial conditions) and late training (averaging over more updates in order to mitigate gradient noise). In experiments, a 610M-parameter model trained for 80 tokens-per-parameter (TPP) using D2Z achieves lower loss than when trained for 200 TPP using 10x decay, corresponding to an astonishing 60% compute savings. Models such as Llama2-7B, trained for 286 TPP with 10x decay, could likely have saved a majority of compute by training with D2Z.

Neural pruning aims to compress and accelerate deep neural networks by identifying the optimal subnetwork within a specified sparsity budget. In this work, we study how to gradually sparsify the unpruned dense model to the target sparsity level with minimal performance drop. Specifically, we analyze the evolution of the population of optimal subnetworks under continuous sparsity increments from a thermodynamic perspective. We first reformulate neural pruning as an expected loss minimization problem over the mask distributions. Then, we establish an effective approximation for the sparsity evolution of the optimal mask distribution, termed the **S**parsity Evolutionary **F**okker-**P**lanck-**K**olmogorov Equation (**SFPK**), which provides closed-form, mathematically tractable guidance on distributional transitions for minimizing the expected loss under an infinitesimal sparsity increment. On top of that, we propose SFPK-pruner, a particle simulation-based probabilistic pruning method, to sample performant masks with desired sparsity from the destination distribution of SFPK. In theory, we establish the convergence guarantee for the proposed SFPK-pruner. Our SFPK-pruner exhibits competitive performance in various pruning scenarios. The code is available on https://github.com/mzf666/SFPK-main.

Many works have developed no-regret algorithms for contextual bandits with function approximation, where the mean rewards over context-action pairs belong to a function class $\mathcal{F}$. Although there are many approaches to this problem, algorithms based on the principle of optimism, such as optimistic least squares have gained in importance. It can be shown the regret of this algorithm scales as $\widetilde{\mathcal{O}}\left(\sqrt{d_{\mathrm{eluder}}(\mathcal{F}) \log(\mathcal{F}) T }\right)$ where $d_{\mathrm{eluder}}(\mathcal{F})$ is a statistical measure of the complexity of the function class $\mathcal{F}$ known as eluder dimension. Unfortunately, even if the variance of the measurement noise of the rewards at time $t$ equals $\sigma_t^2$ and these are close to zero, the optimistic least squares algorithm’s regret scales with $\sqrt{T}$. In this work we are the first to develop algorithms that satisfy regret bounds for contextual bandits with function approximation of the form $\widetilde{\mathcal{O}}\left( \sigma \sqrt{\log(\mathcal{F})d_{\mathrm{eluder}}(\mathcal{F}) T } + d_{\mathrm{eluder}}(\mathcal{F}) \cdot \log(|\mathcal{F}|)\right) $ when the variances are unknown and satisfy $\sigma_t^2 = \sigma$ for all $t$ and $\widetilde{\mathcal{O}}\left( d_{\mathrm{eluder}}(\mathcal{F})\sqrt{\log(\mathcal{F})\sum_{t=1}^T \sigma_t^2 } + d_{\mathrm{eluder}}(\mathcal{F}) \cdot \log(|\mathcal{F}|)\right) $ when the variances change every time-step. These bounds generalize existing techniques for deriving second order bounds in contextual linear problems.

Large Language Models (LLMs) have achieved remarkable breakthroughs. However, the huge number of parameters in LLMs require significant amount of memory storage in inference, which prevents their practical deployment in many applications. To reduce memory storage of LLMs, singular value decomposition (SVD) provides a promising solution to approximate weight matrices for compressing LLMs. In this paper, we take a step further to explore parameter sharing across different layers with SVD to achieve more effective compression for LLMs. Specifically, weight matrices in different layers are decomposed and represented with a linear combination of a set of shared basis vectors and unique coefficients. The types of weight matrices and the layer selection for basis sharing are examined when compressing LLMs to maintain the performance. Comprehensive experiments demonstrate that Basis-Sharing outperforms state-of-the-art SVD-based compression approaches, especially at large compression ratios.

Handling implicit language is essential for natural language processing systems to achieve precise text understanding and facilitate natural interactions with users. Despite its importance, the absence of a metric for accurately measuring the implicitness of language significantly constrains the depth of analysis possible in evaluating models' comprehension capabilities. This paper addresses this gap by developing a scalar metric that quantifies the implicitness level of language without relying on external references. Drawing on principles from traditional linguistics, we define "implicitness" as the divergence between semantic meaning and pragmatic interpretation. To operationalize this definition, we introduce ImpScore, a reference-free metric formulated through an interpretable regression model. This model is trained using pairwise contrastive learning on a specially curated dataset consisting of (*implicit sentence*, *explicit sentence*) pairs. We validate ImpScore through a user study that compares its assessments with human evaluations on out-of-distribution data, demonstrating its accuracy and strong correlation with human judgments. Additionally, we apply ImpScore to hate speech detection datasets, illustrating its utility and highlighting significant limitations in current large language models' ability to understand highly implicit content. Our metric is publicly available at https://github.com/audreycs/ImpScore.

Developing a contemporary optimal transport (OT) solver requires navigating trade-offs among several critical requirements: GPU parallelization, scalability to high-dimensional problems, theoretical convergence guarantees, empirical performance in terms of precision versus runtime, and numerical stability in practice. With these challenges in mind, we introduce a specialized truncated Newton algorithm for entropic-regularized OT. In addition to proving that locally quadratic convergence is possible without assuming a Lipschitz Hessian, we provide strategies to maximally exploit the high rate of local convergence in practice. Our GPU-parallel algorithm exhibits exceptionally favorable runtime performance, achieving high precision orders of magnitude faster than many existing alternatives. This is evidenced by wall-clock time experiments on 24 problem sets (12 datasets $\times$ 2 cost functions). The scalability of the algorithm is showcased on an extremely large OT problem with $n \approx 10^6$, solved approximately under weak entropic regularization.

Error correcting codes (ECCs) are indispensable for reliable transmission in communication systems. Recent advancements in deep learning have catalyzed the exploration of ECC decoders based on neural networks. Among these, transformer-based neural decoders have achieved state-of-the-art decoding performance. In this paper, we propose a novel Cross-Attention Message-Passing Transformer (CrossMPT), which shares key operational principles with conventional message-passing decoders. While conventional transformer-based decoders employ a self-attention mechanism without distinguishing between magnitude and syndrome embeddings, CrossMPT updates these two types of embeddings separately and iteratively via two masked cross-attention blocks. The mask matrices are determined by the code's parity-check matrix, which explicitly captures and removes irrelevant relationships between the magnitude and syndrome embeddings. Our experimental results show that CrossMPT significantly outperforms existing neural network-based decoders for various code classes. Notably, CrossMPT achieves this decoding performance improvement while significantly reducing memory usage, computational complexity, inference time, and training time.

It is a mystery how the brain decodes color vision purely from the optic nerve signals it receives, with a core inferential challenge being how it disentangles internal perception with the correct color dimensionality from the unknown encoding properties of the eye. In this paper, we introduce a computational framework for modeling this emergence of human color vision by simulating both the eye and the cortex. Existing research often overlooks how the cortex develops color vision or represents color space internally, assuming that the color dimensionality is known a priori; however, we argue that the visual cortex has the capability and the challenge of inferring the color dimensionality purely from fluctuations in the optic nerve signals. To validate our theory, we introduce a simulation engine for biological eyes based on established vision science and generate optic nerve signals resulting from looking at natural images. Further, we propose a bio-plausible model of cortical learning based on self-supervised prediction of optic nerve signal fluctuations under natural eye motions. We show that this model naturally learns to generate color vision by disentangling retinal invariants from the sensory signals. When the retina contains $N$ types of color photoreceptors, our simulation shows that $N$-dimensional color vision naturally emerges, verified through formal colorimetry. Using this framework, we also present the first simulation work that successfully boosts the color dimensionality, as observed in gene therapy on squirrel monkeys, and demonstrates the possibility of enhancing human color vision from 3D to 4D.

Diffusion and flow matching models have recently been used to solve various linear inverse problems in image restoration, such as super-resolution and inpainting. Using a pre-trained diffusion or flow-matching model as a prior, most existing methods modify the reverse-time sampling process by incorporating the likelihood information from the measurement. However, they struggle in challenging scenarios, such as high measurement noise or severe ill-posedness. In this paper, we propose Flow with Interpolant Guidance (FIG), an algorithm where reverse-time sampling is efficiently guided with measurement interpolants through theoretically justified schemes. Experimentally, we demonstrate that FIG efficiently produces highly competitive results on a variety of linear image reconstruction tasks on natural image datasets, especially for challenging tasks. Our code is available at: https://riccizz.github.io/FIG/.

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.

Humans acquire knowledge by observing the external world, but also by introspection. Introspection gives a person privileged access to their current state of mind (e.g. thoughts and feelings) that are not accessible to external observers. Do LLMs have this introspective capability of privileged access? If they do, this would show that LLMs can acquire knowledge not contained in or inferable from training data. We investigate LLMs predicting properties of their own behavior in hypothetical situations. If a model M1 has this capability, it should outperform a different model M2 in predicting M1's behavior—even if M2 is trained on M1's ground-truth behavior. The idea is that M1 has privileged access to its own behavioral tendencies, and this enables it to predict itself better than M2 (even if M2 is generally stronger). In experiments with GPT-4, GPT-4o, and Llama-3 models, we find that the model M1 outperforms M2 in predicting itself, providing evidence for privileged access. Further experiments and ablations provide additional evidence. Our results show that LLMs can offer reliable self-information independent of external data in certain domains. By demonstrating this, we pave the way for further work on introspection in more practical domains, which would have significant implications for model transparency and explainability. However, while we successfully show introspective capabilities in simple tasks, we are unsuccessful on more complex tasks or those requiring out-of-distribution generalization.