ICLR 2025 Papers

Masked Generative Image Transformers (MaskGIT) have emerged as a scalable and efficient image generation framework, able to deliver high-quality visuals with low inference costs. However, MaskGIT’s token unmasking scheduler, an essential component of the framework, has not received the attention it deserves. We analyze the sampling objective in MaskGIT, based on the mutual information between tokens, and elucidate its shortcomings. We then propose a new sampling strategy based on our Halton scheduler instead of the original Confidence scheduler. More precisely, our method selects the token’s position according to a quasi-random, low-discrepancy Halton sequence. Intuitively, that method spreads the tokens spatially, progressively covering the image uniformly at each step. Our analysis shows that it allows reducing non-recoverable sampling errors, leading to simpler hyper-parameters tuning and better quality images. Our scheduler does not require retraining or noise injection and may serve as a simple drop-in replacement for the original sampling strategy. Evaluation of both class-to-image synthesis on ImageNet and text-to-image generation on the COCO dataset demonstrates that the Halton scheduler outperforms the Confidence scheduler quantitatively by reducing the FID and qualitatively by generating more diverse and more detailed images. Our code is at https://github.com/valeoai/Halton-MaskGIT.

Diffusion Models (DM) and Consistency Models (CM) are two types of popular generative models with good generation quality on various tasks. When training DM and CM, intermediate weight checkpoints are not fully utilized and only the last converged checkpoint is used. In this work, we find proper checkpoint merging can significantly improve the training convergence and final performance. Specifically, we propose LCSC, a simple but effective and efficient method to enhance the performance of DM and CM, by combining checkpoints along the training trajectory with coefficients deduced from evolutionary search. We demonstrate the value of LCSC through two use cases: (a) Reducing training cost. With LCSC, we only need to train DM/CM with fewer number of iterations and/or lower batch sizes to obtain comparable sample quality with the fully trained model. For example, LCSC achieves considerable training speedups for CM (23$\times$ on CIFAR-10 and 15$\times$ on ImageNet-64). (b) Enhancing pre-trained models. When full training is already done, LCSC can further improve the generation quality or efficiency of the final converged models. For example, LCSC achieves better FID using 1 number of function evaluation (NFE) than the base model with 2 NFE on consistency distillation, and decreases the NFE of DM from 15 to 9 while maintaining the generation quality. Applying LCSC to large text-to-image models, we also observe clearly enhanced generation quality.

Speculative decoding (SD), where an extra draft model is employed to provide multiple **draft** tokens first and then the original target model verifies these tokens in parallel, has shown great power for LLM inference acceleration. However, existing SD methods suffer from the mutual waiting problem, i.e., the target model gets stuck when the draft model is *guessing* tokens, and vice versa. This problem is directly incurred by the asynchronous execution of the draft model and the target model, and is exacerbated due to the fixed draft length in speculative decoding. To address these challenges, we propose a conceptually simple, flexible, and general framework to boost speculative decoding, namely **P**arallel sp**E**culative decoding with **A**daptive d**R**aft **L**ength (PEARL). Specifically, PEARL proposes *pre-verify* to verify the first draft token in advance during the drafting phase, and *post-verify* to generate more draft tokens during the verification phase. PEARL parallels the drafting phase and the verification phase via applying the two strategies, and achieves adaptive draft length for different scenarios, which effectively alleviates the mutual waiting problem. Experiments on various text generation benchmarks demonstrate the effectiveness of our PEARL, leading to a superior speedup performance up to **4.43$\times$** and **1.50$\times$**, compared to auto-regressive decoding and vanilla speculative decoding, respectively.

Raven’s Progressive Matrices (RPMs) is an established benchmark to examine the ability to perform high-level abstract visual reasoning (AVR). Despite the current success of algorithms that solve this task, humans can generalize beyond a given puzzle and create new puzzles given a set of rules, whereas machines remain locked in solving a fixed puzzle from a curated choice list. We propose Generative Visual Puzzles (GenVP), a framework to model the entire RPM generation process, a substantially more challenging task. Our model’s capability spans from generating multiple solutions for one specific problem prompt to creating complete new puzzles out of the desired set of rules. Experiments on five different datasets indicate that GenVP achieves state-of-the-art (SOTA) performance both in puzzle-solving accuracy and out-of-distribution (OOD) generalization in 22 out of 24 OOD scenarios. Further, compared to SOTA generative approaches, which struggle to solve RPMs when the feasible solution space increases, GenVP efficiently generalizes to these challenging scenarios. Moreover, our model demonstrates the ability to produce a wide range of complete RPMs given a set of abstract rules by effectively capturing the relationships between abstract rules and visual object properties.

Consistency models are a new family of generative models capable of producing high-quality samples in either a single step or multiple steps. Recently, consistency models have demonstrated impressive performance, achieving results on par with diffusion models in the pixel space. However, the success of scaling consistency training to large-scale datasets, particularly for text-to-image and video generation tasks, is determined by performance in the latent space. In this work, we analyze the statistical differences between pixel and latent spaces, discovering that latent data often contains highly impulsive outliers, which significantly degrade the performance of iCT in the latent space. To address this, we replace Pseudo-Huber losses with Cauchy losses, effectively mitigating the impact of outliers. Additionally, we introduce a diffusion loss at early timesteps and employ optimal transport (OT) coupling to further enhance performance. Lastly, we introduce the adaptive scaling-$c$ scheduler to manage the robust training process and adopt Non-scaling LayerNorm in the architecture to better capture the statistics of the features and reduce outlier impact. With these strategies, we successfully train latent consistency models capable of high-quality sampling with one or two steps, significantly narrowing the performance gap between latent consistency and diffusion models. The implementation is released here: \url{https://github.com/quandao10/sLCT/}

Conventional wisdom attributes the success of Generative Flow Networks (GFlowNets) to their ability to exploit the compositional structure of the sample space for learning generalizable flow functions (Bengio et al., 2021). Despite the abundance of empirical evidence, formalizing this belief with verifiable non-vacuous statistical guarantees has remained elusive. We address this issue with the first data-dependent generalization bounds for GFlowNets. We also elucidate the negative impact of the state space size on the generalization performance of these models via Azuma-Hoeffding-type oracle PAC-Bayesian inequalities. We leverage our theoretical insights to design a novel distributed learning algorithm for GFlowNets, which we call *Subgraph Asynchronous Learning* (SAL). In a nutshell, SAL utilizes a divide-and-conquer strategy: multiple GFlowNets are trained in parallel on smaller subnetworks of the flow network, and then aggregated with an additional GFlowNet that allocates appropriate flow to each subnetwork. Our experiments with synthetic and real-world problems demonstrate the benefits of SAL over centralized training in terms of mode coverage and distribution matching.

Despite a plethora of anomaly detection models developed over the years, their ability to generalize to unseen anomalies remains an issue, particularly in critical systems. This paper aims to address this challenge by introducing Swift Hydra, a new framework for training an anomaly detection method based on generative AI and reinforcement learning (RL). Through featuring an RL policy that operates on the latent variables of a generative model, the framework synthesizes novel and diverse anomaly samples that are capable of bypassing a detection model. These generated synthetic samples are, in turn, used to augment the detection model, further improving its ability to handle challenging anomalies. Swift Hydra also incorporates Mamba models structured as a Mixture of Experts (MoE) to enable scalable adaptation of the number of Mamba experts based on data complexity, effectively capturing diverse feature distributions without increasing the model’s inference time. Empirical evaluations on ADBench benchmark demonstrate that Swift Hydra outperforms other state-of-the-art anomaly detection models while maintaining a relatively short inference time. From these results, our research highlights a new and auspicious paradigm of integrating RL and generative AI for advancing anomaly detection.

We propose a novel approach for 3D mesh reconstruction from multi-view images. We improve upon the large reconstruction model LRM that use a transformer-based triplane generator and a Neural Radiance Field (NeRF) model trained on multi-view images. We introduce three key components to significantly enhance the 3D reconstruction quality. First of all, we examine the original LRM architecture and find several shortcomings. Subsequently, we introduce respective modifications to the LRM architecture, which lead to improved multi-view image representation and more computationally efficient training. Second, in order to improve geometry reconstruction and enable supervision at full image resolution, we extract meshes from the NeRF in a differentiable manner and fine-tune the NeRF model through mesh rendering. These modifications allow us to achieve state-of-the-art performance on both 2D and 3D evaluation metrics on Google Scanned Objects (GSO) dataset and OmniObject3D dataset. Finally, we introduce a lightweight per-instance texture refinement procedure to better reconstruct complex textures, such as text and portraits on assets. To address this, we introduce a lightweight per-instance texture refinement procedure. This procedure fine-tunes the triplane representation and the NeRF's color estimation model on the mesh surface using the input multi-view images in just 4 seconds. This refinement achieves faithful reconstruction of complex textures. Additionally, our approach enables various downstream applications, including text/image-to-3D generation.

Generative models have shown impressive capabilities in synthesizing high-quality outputs across various domains. However, a persistent challenge is the occurrence of "hallucinations," where the model produces outputs that are not grounded in the underlying facts. While empirical strategies have been explored to mitigate this issue, a rigorous theoretical understanding remains elusive. In this paper, we develop a theoretical framework to analyze the *learnability* of non-hallucinating generative models from a learning-theoretic perspective. Our results reveal that non-hallucinating learning is statistically *impossible* when relying solely on the training dataset, even for a hypothesis class of size two and when the entire training set is truthful. To overcome these limitations, we show that incorporating *inductive biases* aligned with the actual facts into the learning process is essential. We provide a systematic approach to achieve this by restricting the fact set to a concept class of finite VC-dimension and demonstrate its effectiveness under various learning paradigms. Although our findings are primarily conceptual, they represent a first step towards a principled approach to addressing hallucinations in learning generative models.

Diffusion models and flow matching models have enabled generating diverse and realistic images by learning to transfer noise to data. However, sampling from these models involves iterative denoising over many neural network passes, making generation slow and expensive. Previous approaches for speeding up sampling require complex training regimes, such as multiple training phases, multiple networks, or fragile scheduling. We introduce Shortcut Models, a family of generative models that use a single network and training phase to produce high-quality samples in a single or multiple sampling steps. Shortcut models condition the network not only on the current noise level but also on the desired step size, allowing the model to skip ahead in the generation process. Across a wide range of sampling step budgets, shortcut models consistently produce higher quality samples than previous approaches, such as consistency models and reflow. Compared to distillation, shortcut models reduce complexity to a single network and training phase and additionally allow varying step budgets at inference time.

Spatial intelligence is the ability of a machine to perceive, reason, and act in three dimensions within space and time. Recent advancements in large-scale auto-regressive models have demonstrated remarkable capabilities across various reasoning tasks. However, these models often struggle with fundamental aspects of spatial reasoning, particularly in answering questions like "Where am I?" and "What will I see?". While some attempts have been done, existing approaches typically treat them as separate tasks, failing to capture their interconnected nature. In this paper, we present **G**enerative **S**patial **T**ransformer (GST), a novel auto-regressive framework that jointly addresses spatial localization and view prediction. Our model simultaneously estimates the camera pose from a single image and predicts the view from a new camera pose, effectively bridging the gap between spatial awareness and visual prediction. The proposed innovative camera tokenization method enables the model to learn the joint distribution of 2D projections and their corresponding spatial perspectives in an auto-regressive manner. This unified training paradigm demonstrates that joint optimization of pose estimation and novel view synthesis leads to improved performance in both tasks, for the first time, highlighting the inherent relationship between spatial awareness and visual prediction.

Algorithmic Recourse provides recommendations to individuals who are adversely impacted by automated model decisions, on how to alter their profiles to achieve a favorable outcome. Effective recourse methods must balance three conflicting goals: proximity to the original profile to minimize cost, plausibility for realistic recourse, and validity to ensure the desired outcome. We show that existing methods train for these objectives separately and then search for recourse through a joint optimization over the recourse goals during inference, leading to poor recourse recommendations. We introduce GenRe, a generative recourse model designed to train the three recourse objectives jointly. Training such generative models is non-trivial due to lack of direct recourse supervision. We propose efficient ways to synthesize such supervision and further show that GenRe's training leads to a consistent estimator. Unlike most prior methods, that employ non-robust gradient descent based search during inference, GenRe simply performs a forward sampling over the generative model to produce minimum cost recourse, leading to superior performance across multiple metrics. We also demonstrate GenRe provides the best trade-off between cost, plausibility and validity, compared to state-of-art baselines. Our code is available at: https://github.com/prateekgargX/genre

We consider a class of conditional forward-backward diffusion models for conditional generative modeling, that is, generating new data given a covariate (or control variable). To formally study the theoretical properties of these conditional generative models, we adopt a statistical framework of distribution regression to characterize the large sample properties of the conditional distribution estimators induced by these conditional forward-backward diffusion models. Here, the conditional distribution of data is assumed to smoothly change over the covariate. In particular, our derived convergence rate is minimax-optimal under the total variation metric within the regimes covered by the existing literature. Additionally, we extend our theory by allowing both the data and the covariate variable to potentially admit a low-dimensional manifold structure. In this scenario, we demonstrate that the conditional forward-backward diffusion model can adapt to both manifold structures, meaning that the derived estimation error bound (under the Wasserstein metric) depends only on the intrinsic dimensionalities of the data and the covariate.

Statistical watermarking techniques are well-established for sequentially decoded language models (LMs). However, these techniques cannot be directly applied to order-agnostic LMs, as the tokens in order-agnostic LMs are not generated sequentially. In this work, we introduce PATTERN-MARK, a pattern-based watermarking framework specifically designed for order-agnostic LMs. We develop a Markov-chain-based watermark generator that produces watermark key sequences with high-frequency key patterns. Correspondingly, we propose a statistical pattern-based detection algorithm that recovers the key sequence during detection and conducts statistical tests based on the count of high-frequency patterns. Our extensive evaluations on order-agnostic LMs, such as ProteinMPNN and CMLM, demonstrate PATTERN-MARK’s enhanced detection efficiency, generation quality, and robustness, positioning it as a superior watermarking technique for order-agnostic LMs.

Ensuring that generative AI systems align with human values is essential but challenging, especially when considering multiple human values and their potential trade-offs. Since human values can be personalized and dynamically change over time, the desirable levels of value alignment vary across different ethnic groups, industry sectors, and user cohorts. Within existing frameworks, it is hard to define human values and align AI systems accordingly across different directions simultaneously, such as harmlessness, helpfulness, and positiveness. To address this, we develop a novel, first-principle approach called Multi-Human-Value Alignment Palette (MAP), which navigates the alignment across multiple human values in a structured and reliable way. MAP formulates the alignment problem as an optimization task with user-defined constraints, which define human value targets. It can be efficiently solved via a primal-dual approach, which determines whether a user-defined alignment target is achievable and how to achieve it. We conduct a detailed theoretical analysis of MAP by quantifying the trade-offs between values, the sensitivity to constraints, the fundamental connection between multi-value alignment and sequential alignment, and proving that linear weighted rewards are sufficient for multi-value alignment. Extensive experiments demonstrate MAP's ability to align multiple values in a principled manner while delivering strong empirical performance across various tasks.

Despite the empirical success of Diffusion Models (DMs) and Variational Autoencoders (VAEs), their generalization performance remains theoretically underexplored, especially lacking a full consideration of the shared encoder-generator structure. Leveraging recent information-theoretic tools, we propose a unified theoretical framework that provides guarantees for the generalization of both the encoder and generator by treating them as randomized mappings. This framework further enables (1) a refined analysis for VAEs, accounting for the generator's generalization, which was previously overlooked; (2) illustrating an explicit trade-off in generalization terms for DMs that depends on the diffusion time $T$; and (3) providing computable bounds for DMs based solely on the training data, allowing the selection of the optimal $T$ and the integration of such bounds into the optimization process to improve model performance. Empirical results on both synthetic and real datasets illustrate the validity of the proposed theory.

Continuous dynamical systems are cornerstones of many scientific and engineering disciplines. While machine learning offers powerful tools to model these systems from trajectory data, challenges arise when these trajectories are captured as images, resulting in pixel-level observations that are discrete in nature. Consequently, a naive application of a convolutional autoencoder can result in latent coordinates that are discontinuous in time. To resolve this, we propose continuity-preserving convolutional autoencoders (CpAEs) to learn continuous latent states and their corresponding continuous latent dynamical models from discrete image frames. We present a mathematical formulation for learning dynamics from image frames, which illustrates issues with previous approaches and motivates our methodology based on promoting the continuity of convolution filters, thereby preserving the continuity of the latent states. This approach enables CpAEs to produce latent states that evolve continuously with the underlying dynamics, leading to more accurate latent dynamical models. Extensive experiments across various scenarios demonstrate the effectiveness of CpAEs.

While continuous diffusion models excel in modeling continuous distributions, their application to categorical data has been less effective. Recent work has shown that ratio-matching through *score-entropy* within a continuous-time discrete Markov chain (CTMC) framework serves as a competitive alternative to autoregressive models in language modeling. To enhance this framework, we first introduce three new theorems concerning the KL divergence between the data and learned distribution. Our results serve as the discrete counterpart to those established for continuous diffusion models and allow us to derive an improved upper bound of the perplexity. Second, we empirically show that ratio-matching performed by minimizing the *denoising cross-entropy* between the clean and corrupted data enables models to outperform those utilizing score-entropy with up to 10\% lower perplexity/generative-perplexity, and 15\% faster training steps. To further support our findings, we introduce and evaluate a novel CTMC transition-rate matrix that allows prediction refinement, and derive the analytic expression for its matrix exponential which facilitates the computation of conditional ratios thus enabling efficient training and generation.

Sampling algorithms play an important role in controlling the quality and runtime of diffusion model inference. In recent years, a number of works (Chen et al., 2023c;b; Benton et al., 2023; Lee et al., 2022) have analyzed algorithms for diffusion sampling with provable guarantees; these works show that for essentially any data distribution, one can approximately sample in polynomial time given a sufficiently accurate estimate of its score functions at different noise levels. In this work, we propose a new scheme inspired by Shen and Lee's randomized midpoint method for log-concave sampling (Shen & Lee, 2019). We prove that this approach achieves the best known dimension dependence for sampling from arbitrary smooth distributions in total variation distance ($\widetilde O(d^{5/12})$ compared to $\widetilde O(\sqrt{d})$ from prior work). We also show that our algorithm can be parallelized to run in only $\widetilde O(\log^2 d)$ parallel rounds, constituting the first provable guarantees for parallel sampling with diffusion models. As a byproduct of our methods, for the well-studied problem of log-concave sampling in total variation distance, we give an algorithm and simple analysis achieving dimension dependence $\widetilde O(d^{5/12})$ compared to $\widetilde O(\sqrt{d})$ from prior work.