ICLR 2025 Papers

While image generation with diffusion models has achieved a great success, generating images of higher resolution than the training size remains a challenging task due to the high computational cost. Current methods typically perform the entire sampling process at full resolution and process all frequency components simultaneously, contradicting with the inherent coarse-to-fine nature of latent diffusion models and wasting computations on processing premature high-frequency details at early diffusion stages. To address this issue, we introduce an efficient $\textbf{Fre}$quency-aware $\textbf{Ca}$scaded $\textbf{S}$ampling framework, $\textbf{FreCaS}$ in short, for higher-resolution image generation. FreCaS decomposes the sampling process into cascaded stages with gradually increased resolutions, progressively expanding frequency bands and refining the corresponding details. We propose an innovative frequency-aware classifier-free guidance (FA-CFG) strategy to assign different guidance strengths for different frequency components, directing the diffusion model to add new details in the expanded frequency domain of each stage. Additionally, we fuse the cross-attention maps of previous and current stages to avoid synthesizing unfaithful layouts. Experiments demonstrate that FreCaS significantly outperforms state-of-the-art methods in image quality and generation speed. In particular, FreCaS is about 2.86$\times$ and 6.07$\times$ faster than ScaleCrafter and DemoFusion in generating a 2048$\times$2048 image using a pretrained SDXL model and achieves an $\text{FID}_b$ improvement of 11.6 and 3.7, respectively. FreCaS can be easily extended to more complex models such as SD3. The source code of FreCaS can be found at https://github.com/xtudbxk/FreCaS.

Reinforcement learning with human feedback (RLHF) has become the dominant method to align large models to user preferences. Unlike fine-tuning, for which there are many studies regarding training data memorization, it is not clear how memorization is affected by or introduced in the RLHF alignment process. Understanding this relationship is important as real user data may be collected and used to align large models; if user data is memorized during RLHF and later regurgitated, this could raise privacy concerns. In addition to RLHF, other methods such as Direct Preference Optimization (DPO) and $\Psi$PO have gained popularity for learning directly from human preferences, removing the need for optimizing intermediary reward models with reinforcement learning. In this work, we analyze how training data memorization can surface and propagate through each phase of RLHF and direct preference learning. We focus our study on code completion models, as code completion is one of the most popular use cases for large language models. We find that RLHF significantly decreases the chance that data used for reward modeling and reinforcement learning is memorized in comparison to directly fine-tuning on this data, but that examples already memorized during the fine-tuning stage of RLHF, will, in the majority of cases, remain memorized after RLHF. In contrast, we find that aligning by learning directly from human preference data via a special case of $\Psi$PO, Identity Preference Optimization (IPO), increases the likelihood that training data is regurgitated compared to RLHF. Our work suggests that RLHF, as opposed to direct preference learning, is a safer way to mitigate the risk of regurgitating sensitive preference data when aligning large language models. We find our conclusions are robust across multiple code completion datasets, tasks, and model scales.

Hypergraphs are essential in modeling higher-order complex networks, excelling in representing group interactions within real-world contexts. This is particularly evident in collaboration networks, where they facilitate the capture of groupwise polyadic patterns, extending beyond traditional pairwise dyadic interactions. The use of hypergraph generators, or generative models, is a crucial method for promoting and validating our understanding of these structures. If such generators accurately replicate observed hypergraph patterns, it reinforces the validity of our interpretations. In this context, we introduce a novel hypergraph generative paradigm, **HyperPLR**, encompassing three phases: Projection, Learning, and Reconstruction. Initially, the hypergraph is projected onto a weighted graph. Subsequently, the model learns this graph's structure within a latent space, while simultaneously computing a distribution between the hyperedge and the projected graph. Finally, leveraging the learned model and distribution, HyperPLR generates new weighted graphs and samples cliques from them. These cliques are then used to reconstruct new hypergraphs by solving a specific clique cover problem. We have evaluated HyperPLR on existing real-world hypergraph datasets, which consistently demonstrate superior performance and validate the effectiveness of our approach.

Understanding and manipulating the causal generation mechanisms in language models is essential for controlling their behavior. Previous work has primarily relied on techniques such as representation surgery---e.g., model ablations or manipulation of linear subspaces tied to specific concepts---to intervene on these models. To understand the impact of interventions precisely, it is useful to examine counterfactuals---e.g., how a given sentence would have appeared had it been generated by the model following a specific intervention. We highlight that counterfactual reasoning is conceptually distinct from interventions, as articulated in Pearl's causal hierarchy. Based on this observation, we propose a framework for generating true string counterfactuals by reformulating language models as a structural equation model using the Gumbel-max trick, which we called Gumbel counterfactual generation. This reformulation allows us to model the joint distribution over original strings and their counterfactuals resulting from the same instantiation of the sampling noise. We develop an algorithm based on hindsight Gumbel sampling that allows us to infer the latent noise variables and generate counterfactuals of observed strings. Our experiments demonstrate that the approach produces meaningful counterfactuals while at the same time showing that commonly used intervention techniques have considerable undesired side effects.

Recently, some works have tried to combine diffusion and Generative Adversarial Networks (GANs) to alleviate the computational cost of the iterative denoising inference in Diffusion Models (DMs). However, existing works in this line suffer from either training instability and mode collapse or subpar one-step generation learning efficiency. To address these issues, we introduce YOSO, a novel generative model designed for rapid, scalable, and high-fidelity one-step image synthesis with high training stability and mode coverage. Specifically, we smooth the adversarial divergence by the denoising generator itself, performing self-cooperative learning. We show that our method can serve as a one-step generation model training from scratch with competitive performance. Moreover, we extend our YOSO to one-step text-to-image generation based on pre-trained models by several effective training techniques (i.e., latent perceptual loss and latent discriminator for efficient training along with the latent DMs; the informative prior initialization (IPI), and the quick adaption stage for fixing the flawed noise scheduler). Experimental results show that YOSO achieves the state-of-the-art one-step generation performance even with Low-Rank Adaptation (LoRA) fine-tuning. In particular, we show that the YOSO-PixArt-$\alpha$ can generate images in one step trained on 512 resolution, with the capability of adapting to 1024 resolution without extra explicit training, requiring only \textasciitilde10 A800 days for fine-tuning. Our code is available at: [https://github.com/Luo-Yihong/YOSO](https://github.com/Luo-Yihong/YOSO)

With the recent emergence of foundation models trained on internet-scale data and demonstrating remarkable generalization capabilities, such foundation models have become more widely adopted, leading to an expanding range of application domains. Despite this rapid proliferation, the trustworthiness of foundation models remains underexplored. Specifically, the out-of-distribution detection (OoDD) capabilities of large vision-language models (LVLMs), such as GPT-4o, which are trained on massive multi-modal data, have not been sufficiently addressed. The disparity between their demonstrated potential and practical reliability raises concerns regarding the safe and trustworthy deployment of foundation models. To address this gap, we evaluate and analyze the OoDD capabilities of various proprietary and open-source LVLMs. Our investigation contributes to a better understanding of how these foundation models represent confidence scores through their generated natural language responses. Furthermore, we propose a self-guided prompting approach, termed Reflexive Guidance (ReGuide), aimed at enhancing the OoDD capability of LVLMs by leveraging self-generated image-adaptive concept suggestions. Experimental results demonstrate that our ReGuide enhances the performance of current LVLMs in both image classification and OoDD tasks. The lists of sampled images, along with the prompts and responses for each sample are available at https://github.com/daintlab/ReGuide.

Human motion generation is a critical task with a wide spectrum of applications. Achieving high realism in generated motions requires naturalness, smoothness, and plausibility. However, current evaluation metrics often rely on simple heuristics or distribution distances and do not align well with human perceptions. In this work, we propose a data-driven approach to bridge this gap by introducing a large-scale human perceptual evaluation dataset, MotionPercept, and a human motion critic model, MotionCritic, that capture human perceptual preferences. Our critic model offers a more accurate metric for assessing motion quality and could be readily integrated into the motion generation pipeline to enhance generation quality. Extensive experiments demonstrate the effectiveness of our approach in both evaluating and improving the quality of generated human motions by aligning with human perceptions. Code and data are publicly available at https://motioncritic.github.io/.

Retrieval-Augmented Generation (RAG) has proven its effectiveness in mitigating hallucinations in Large Language Models (LLMs) by retrieving knowledge from external resources. To adapt LLMs for the RAG systems, current approaches use instruction tuning to optimize LLMs, improving their ability to utilize retrieved knowledge. This supervised fine-tuning (SFT) approach focuses on equipping LLMs to handle diverse RAG tasks using different instructions. However, it trains RAG modules to overfit training signals and overlooks the varying data preferences among agents within the RAG system. In this paper, we propose a Differentiable Data Rewards (DDR) method, which end-to-end trains RAG systems by aligning data preferences between different RAG modules. DDR works by collecting the rewards to optimize each agent in the RAG system with the rollout method, which prompts agents to sample some potential responses as perturbations, evaluates the impact of these perturbations on the whole RAG system, and subsequently optimizes the agent to produce outputs that improve the performance of the RAG system. Our experiments on various knowledge-intensive tasks demonstrate that DDR significantly outperforms the SFT method, particularly for LLMs with smaller-scale parameters that depend more on the retrieved knowledge. Additionally, DDR exhibits a stronger capability to align the data preference between RAG modules. The DDR method makes the generation module more effective in extracting key information from documents and mitigating conflicts between parametric memory and external knowledge. All codes are available at https://github.com/OpenMatch/RAG-DDR.

Large language models (LLMs) can generate code from examples without being limited to a DSL, but they lack search, as sampled programs are independent. In this paper, we use an LLM as a policy that generates lines of code and then join these lines of code to let the LLM implicitly estimate the value of each of these lines in its next iteration. We further guide the policy and value estimation by executing each line and annotating it with its results on the given examples. This allows us to search for programs within a single (expanding) prompt until a sound program is found, by letting the policy reason in both the syntactic (code) and semantic (execution) space. We evaluate within-prompt search on straight-line Python code generation using five benchmarks across different domains (strings, lists, and arbitrary Python programming problems). We show that the model uses the execution results to guide the search and that within-prompt search performs well at low token budgets. We also analyze how the model behaves as a policy and value, show that it can parallelize the search, and that it can implicitly backtrack over earlier generations.

Retrieval-augmented generation (RAG) has shown promising potential to enhance the accuracy and factuality of language models (LMs). However, imperfect retrievers or noisy corpora can introduce misleading or even erroneous information to the retrieved contents, posing a significant challenge to the generation quality. Existing RAG methods typically address this challenge by directly predicting final answers despite potentially noisy inputs, resulting in an implicit denoising process that is difficult to interpret and verify. On the other hand, the acquisition of explicit denoising supervision is often costly, involving significant human efforts. In this work, we propose InstructRAG, where LMs explicitly learn the denoising process through self-synthesized rationales --- First, we instruct the LM to explain how the ground-truth answer is derived from retrieved documents. Then, these rationales can be used either as demonstrations for in-context learning of explicit denoising or as supervised fine-tuning data to train the model. Compared to standard RAG approaches, InstructRAG requires no additional supervision, allows for easier verification of the predicted answers, and effectively improves generation accuracy. Experiments show InstructRAG consistently outperforms existing RAG methods in both training-free and trainable scenarios, achieving a relative improvement of 8.3% over the best baseline method on average across five knowledge-intensive benchmarks. Extensive analysis indicates that InstructRAG scales well with increased numbers of retrieved documents and consistently exhibits robust denoising ability even in out-of-domain datasets, demonstrating strong generalizability.

Guided diffusion-model generation is a promising direction for customizing the generation process of a pre-trained diffusion model to address specific downstream tasks. Existing guided diffusion models either rely on training the guidance model with pre-collected datasets or require the objective functions to be differentiable. However, for most real-world tasks, offline datasets are often unavailable, and their objective functions are often not differentiable, such as image generation with human preferences, molecular generation for drug discovery, and material design. Thus, we need an **online** algorithm capable of collecting data during runtime and supporting a **black-box** objective function. Moreover, the **query efficiency** of the algorithm is also critical because the objective evaluation of the query is often expensive in real-world scenarios. In this work, we propose a novel and simple algorithm, **Fast Direct**, for query-efficient online black-box target generation. Our Fast Direct builds a pseudo-target on the data manifold to update the noise sequence of the diffusion model with a universal direction, which is promising to perform query-efficient guided generation. Extensive experiments on twelve high-resolution ($\small {1024 \times 1024}$) image target generation tasks and six 3D-molecule target generation tasks show $\textbf{6}\times$ up to $\textbf{10}\times$ query efficiency improvement and $\textbf{11}\times$ up to $\textbf{44}\times$ query efficiency improvement, respectively.

We address the challenge of creating 3D assets for household articulated objects from a single image. Prior work on articulated object creation either requires multi-view multi-state input, or only allows coarse control over the generation process. These limitations hinder the scalability and practicality for articulated object modeling. In this work, we propose a method to generate articulated objects from a single image. Observing the object in a resting state from an arbitrary view, our method generates an articulated object that is visually consistent with the input image. To capture the ambiguity in part shape and motion posed by a single view of the object, we design a diffusion model that learns the plausible variations of objects in terms of geometry and kinematics. To tackle the complexity of generating structured data with attributes in multiple domains, we design a pipeline that produces articulated objects from high-level structure to geometric details in a coarse-to-fine manner, where we use a part connectivity graph and part abstraction as proxies. Our experiments show that our method outperforms the state-of-the-art in articulated object creation by a large margin in terms of the generated object realism, resemblance to the input image, and reconstruction quality.

The transformer architecture predominates across various models. As the heart of the transformer, attention has a computational complexity of $O(N^2)$, compared to $O(N)$ for linear transformations. When handling large sequence lengths, attention becomes the primary time-consuming component. Although quantization has proven to be an effective method for accelerating model inference, existing quantization methods primarily focus on optimizing the linear layer. In response, we first analyze the feasibility of quantization in attention detailedly. Following that, we propose SageAttention, a highly efficient and accurate quantization method for attention. The OPS (operations per second) of our approach outperforms FlashAttention2 and xformers by about 2.1x and 2.7x, respectively. SageAttention also achieves superior accuracy performance over FlashAttention3. Comprehensive experiments confirm that our approach incurs almost no end-to-end metrics loss across diverse models—including those for large language processing, image generation, and video generation. The code is available at https://github.com/thu-ml/SageAttention.

Designing synthetically accessible molecules and recommending analogs to unsynthesizable molecules are important problems for accelerating molecular discovery. We reconceptualize both problems using ideas from program synthesis. Drawing inspiration from syntax-guided synthesis approaches, we decouple the syntactic skeleton from the semantics of a synthetic tree to create a bilevel framework for reasoning about the combinatorial space of synthesis pathways. Given a molecule we aim to generate analogs for, we iteratively refine its skeletal characteristics via Markov Chain Monte Carlo simulations over the space of syntactic skeletons. Given a black-box oracle to optimize, we formulate a joint design space over syntactic templates and molecular descriptors and introduce evolutionary algorithms that optimize both syntactic and semantic dimensions synergistically. Our key insight is that once the syntactic skeleton is set, we can amortize over the search complexity of deriving the program's semantics by training policies to fully utilize the fixed horizon Markov Decision Process imposed by the syntactic template. We demonstrate performance advantages of our bilevel framework for synthesizable analog generation and synthesizable molecule design. Notably, our approach offers the user explicit control over the resources required to perform synthesis and biases the design space towards simpler solutions, making it particularly promising for autonomous synthesis platforms. Supporting code is at https://github.com/shiningsunnyday/SynthesisNet.

Model robustness is essential for ensuring the stability and reliability of machine learning systems. Despite extensive research on various aspects of model robustness, such as adversarial robustness and label noise robustness, the exploration of robustness towards different resolutions, remains less explored. To address this gap, we introduce a novel form of attack: the resolution attack. This attack aims to deceive both classifiers and human observers by generating images that exhibit different semantics across different resolutions. To implement the resolution attack, we propose an automated framework capable of generating dual-semantic images in a zero-shot manner. Specifically, we leverage large-scale diffusion models for their comprehensive ability to construct images and propose a staged denoising strategy to achieve a smoother transition across resolutions. Through the proposed framework, we conduct resolution attacks against various off-the-shelf classifiers. The experimental results exhibit high attack success rate, which not only validates the effectiveness of our proposed framework but also reveals the vulnerability of current classifiers towards different resolutions. Additionally, our framework, which incorporates features from two distinct objects, serves as a competitive tool for applications such as face swapping and facial camouflage. The code is available at https://github.com/ywj1/resolution-attack.

Recent advances in language model (LM) agents and function calling have enabled autonomous, feedback-driven systems to solve problems across various digital domains. To better understand the unique limitations of LM agents, we introduce RefactorBench, a benchmark consisting of 100 large handcrafted multi-file refactoring tasks in popular open-source repositories. Solving tasks within RefactorBench requires thorough exploration of dependencies across multiple files and strong adherence to relevant instructions. Every task is defined by 3 natural language instructions of varying specificity and is mutually exclusive, allowing for the creation of longer combined tasks on the same repository. Baselines on RefactorBench reveal that current LM agents struggle with simple compositional tasks, solving only 22\% of tasks with base instructions, in contrast to a human developer with short time constraints solving 87\%. Through trajectory analysis, we identify various unique failure modes of LM agents, and further explore the failure mode of tracking past actions. By adapting a baseline agent to condition on representations of state, we achieve a 43.9\% improvement in solving RefactorBench tasks. We further extend our state-aware approach to encompass entire digital environments and outline potential directions for future research. RefactorBench aims to support the study of LM agents by providing a set of real-world, multi-hop tasks within the realm of code.

Very large language models (LLMs) such as GPT-4 have shown the ability to handle complex tasks by generating and self-refining step-by-step rationales. Smaller language models (SLMs), typically with < 13B parameters, have been improved by using the data generated from very-large LMs through knowledge distillation. However, various practical constraints such as API costs, copyright, legal and ethical policies restrict using large (often opaque) models to train smaller models for commercial use. Limited success has been achieved at improving the ability of an SLM to explore the space of possible rationales and evaluate them by itself through self-deliberation. To address this, we propose COALITION, a trainable framework that facilitates interaction between two variants of the same SLM and trains them to generate and refine rationales optimized for the end-task. The variants exhibit different behaviors to produce a set of diverse candidate rationales during the generation and refinement steps. The model is then trained via Selective Rationale Optimization (SRO) to prefer generating rationale candidates that maximize the likelihood of producing the ground-truth answer. During inference, COALITION employs a controller to select the suitable variant for generating and refining the rationales. On five different datasets covering mathematical problems, commonsense reasoning, and natural language inference, COALITION outperforms several baselines by up to 5%. Our ablation studies reveal that cross-communication between the two variants performs better than using the single model to self-refine the rationales. We also demonstrate the applicability of COALITION for LMs of varying scales (4B to 14B parameters) and model families (Mistral, Llama, Qwen, Phi). We release the code for this work here.

We introduce Sana, a text-to-image framework that can efficiently generate images up to 4096$\times$4096 resolution. Sana can synthesize high-resolution, high-quality images with strong text-image alignment at a remarkably fast speed, deployable on laptop GPU. Core designs include: (1) Deep compression autoencoder: unlike traditional AEs, which compress images only 8$\times$, we trained an AE that can compress images 32$\times$, effectively reducing the number of latent tokens. (2) Linear DiT: we replace all vanilla attention in DiT with linear attention, which is more efficient at high resolutions without sacrificing quality. (3) Decoder-only text encoder: we replaced T5 with modern decoder-only small LLM as the text encoder and designed complex human instruction with in-context learning to enhance the image-text alignment. (4) Efficient training and sampling: we propose Flow-DPM-Solver to reduce sampling steps, with efficient caption labeling and selection to accelerate convergence. As a result, Sana-0.6B is very competitive with modern giant diffusion model (e.g. Flux-12B), being 20 times smaller and 100+ times faster in measured throughput. Moreover, Sana-0.6B can be deployed on a 16GB laptop GPU, taking less than 1 second to generate a 1024$\times$1024 resolution image. Sana enables content creation at low cost. Code and model will be publicly released upon publication.

The increasing demand for controllable outputs in text-to-image generation has spurred advancements in multi-instance generation (MIG), allowing users to define both instance layouts and attributes. However, unlike image-conditional generation methods such as ControlNet, MIG techniques have not been widely adopted in state-of-the-art models like SD2 and SDXL, primarily due to the challenge of building robust renderers that simultaneously handle instance positioning and attribute rendering. In this paper, we introduce Depth-Driven Decoupled Image Synthesis (3DIS), a novel framework that decouples the MIG process into two stages: (i) generating a coarse scene depth map for accurate instance positioning and scene composition, and (ii) rendering fine-grained attributes using pre-trained ControlNet on any foundational model, without additional training. Our 3DIS framework integrates a custom adapter into LDM3D for precise depth-based layouts and employs a finetuning-free method for enhanced instance-level attribute rendering. Extensive experiments on COCO-Position and COCO-MIG benchmarks demonstrate that 3DIS significantly outperforms existing methods in both layout precision and attribute rendering. Notably, 3DIS offers seamless compatibility with diverse foundational models, providing a robust, adaptable solution for advanced multi-instance generation. The code is available at: https://github.com/limuloo/3DIS.