ICML 2025 Papers

Conventional wisdom suggests that autoregressive models are used to process discrete data. When applied to continuous modalities such as visual data, Visual AutoRegressive modeling (VAR) typically resorts to quantization-based approaches to cast the data into a discrete space, which can introduce significant information loss. To tackle this issue, we introduce a Continuous VAR framework that enables direct visual autoregressive generation without vector quantization. The underlying theoretical foundation is strictly proper scoring rules, which provide powerful statistical tools capable of evaluating how well a generative model approximates the true distribution. Within this framework, all we need is to select a strictly proper score and set it as the training objective to optimize. We primarily explore a class of training objectives based on the energy score, which is likelihood-free and thus overcomes the difficulty of making probabilistic predictions in the continuous space. Previous efforts on continuous autoregressive generation, such as GIVT and diffusion loss, can also be derived from our framework using other strictly proper scores. Source code: \url{https://github.com/shaochenze/EAR}.

Multimodal Large Language Models (MLLMs) for tabular understanding have made significant progress in tasks such as financial report analysis and public data tests. However, our comprehensive analysis shows that these models are still limited in certain simple scenarios, particularly when handling compositional conditions in QA. Further investigation reveals that the poor performance can be attributed to two main challenges: the visual encoder's inability to accurately recognize the content of a row, and the model's tendency to overlook conditions in the question. To address these, we introduce a new Compositional Condition Tabular Understanding method, called {\sc CoCoTab}. Specifically, to capture the structural relationships within tables, we enhance the visual encoder with additional row and column patches. Moreover, we introduce the conditional tokens between the visual patches and query embeddings, ensuring the model focuses on relevant parts of the table according to the conditions specified in the query. Additionally, we also introduce the Massive Multimodal Tabular Understanding (MMTU) benchmark, which comprehensively assesses the full capabilities of MLLMs in tabular understanding. Our proposed method achieves state-of-the-art performance on both existing tabular understanding benchmarks and MMTU. Our code can be available at \url{https://github.com/LAMDA-Tabular/MMTU}.

Text-to-song generation, the task of creating vocals and accompaniment from textual inputs, poses significant challenges due to domain complexity and data scarcity. Existing approaches often employ multi-stage generation procedures, leading to cumbersome training and inference pipelines, as well as suboptimal overall generation quality due to error accumulation across stages. In this paper, we propose **SongGen**, a fully open-source, single-stage auto-regressive transformer designed for controllable song generation. The proposed model facilitates fine-grained control over diverse musical attributes, including lyrics and textual descriptions of instrumentation, genre, mood, and timbre, while also offering an optional three-second reference clip for voice cloning. Within a unified auto-regressive framework, SongGen supports two output modes: **mixed mode**, which generates a mixture of vocals and accompaniment directly, and **dual-track mode**, which synthesizes them separately for greater flexibility in downstream applications. We explore diverse token pattern strategies for each mode, leading to notable improvements and valuable insights. Furthermore, we design an automated data preprocessing pipeline with effective quality control. To foster community engagement and future research, we will release our model weights, training code, annotated data, and preprocessing pipeline. The code is available at https://github.com/LiuZH-19/SongGen.

Variational Autoencoders (VAEs), a class of latent-variable generative models, have seen extensive use in high-fidelity synthesis tasks, yet their loss landscape remains poorly understood. Prior theoretical works on VAE loss analysis have focused on their latent-space representational capabilities, both in the optimal and limiting cases. Although these insights have guided better VAE designs, they also often restrict VAEs to problem settings where classical algorithms, such as Principal Component Analysis (PCA), can trivially guarantee globally optimal solutions. In this work, we push the boundaries of our understanding of VAEs beyond these traditional regimes to tackle NP-hard sparse inverse problems, for which no classical algorithms exist. Specifically, we examine the nontrivial Sparse Linear Regression (SLR) problem of recovering optimal sparse inputs in the presence of an ill-conditioned design matrix having correlated features. We provably show that, under a linear encoder-decoder architecture incorporating the product of the SLR design matrix with a trainable, sparsity-promoting diagonal matrix, any minimum of VAE loss is guaranteed to be an optimal solution. This property is especially useful for identifying (a) a preconditioning factor that reduces the eigenvalue spread, and (b) the corresponding optimal sparse representation. Lastly, our empirical analysis with different types of design matrices validates these findings and even demonstrates a higher recovery rate at low sparsity where traditional algorithms fail. Overall, this work highlights the flexible nature of the VAE loss, which can be adapted to efficiently solve computationally hard problems under specific constraints.

Discrete diffusion is a promising framework for modeling and generating discrete data. In this work, we present Target Concrete Score Matching (TCSM), a novel and versatile objective for training and fine-tuning discrete diffusion models. TCSM provides a general framework with broad applicability. It supports pre-training discrete diffusion models directly from data samples, and many existing discrete diffusion approaches naturally emerge as special cases of our more general TCSM framework. Furthermore, the same TCSM objective extends to post-training of discrete diffusion models, including fine-tuning using reward functions or preference data, and distillation of knowledge from pre-trained autoregressive models. These new capabilities stem from the core idea of TCSM, estimating the concrete score of the target distribution, which resides in the original (clean) data space. This allows seamless integration with reward functions and pre-trained models, which inherently only operate in the clean data space rather than the noisy intermediate spaces of diffusion processes. Our experiments on language modeling tasks demonstrate that TCSM matches or surpasses current methods. Additionally, TCSM is versatile, applicable to both pre-training and post-training scenarios, offering greater flexibility and sample efficiency.

Diffusion models exhibit excellent sample quality, but existing guidance methods often require additional model training or are limited to specific tasks. We revisit guidance in diffusion models from the perspective of variational inference and control, introducing \emph{Diffusion Trajectory Matching (DTM)} that enables guiding pretrained diffusion trajectories to satisfy a terminal cost. DTM unifies a broad class of guidance methods and enables novel instantiations. We introduce a new method within this framework that achieves state-of-the-art results on several linear, non-linear, and blind inverse problems without requiring additional model training or specificity to pixel or latent space diffusion models. Our code will be available at https://github.com/czi-ai/oc-guidance.

We derive a controlled generation objective within the framework of Variational Flow Matching (VFM), which casts flow matching as a variational inference problem. We demonstrate that controlled generation can be implemented two ways: (1) by way of end-to-end training of conditional generative models, or (2) as a Bayesian inference problem, enabling post hoc control of unconditional models without retraining. Furthermore, we establish the conditions required for equivariant generation and provide an equivariant formulation of VFM tailored for molecular generation, ensuring invariance to rotations, translations, and permutations. We evaluate our approach on both uncontrolled and controlled molecular generation, achieving state-of-the-art performance on uncontrolled generation and outperforming state-of-the-art models in controlled generation, both with end-to-end training and in the Bayesian inference setting. This work strengthens the connection between flow-based generative modeling and Bayesian inference, offering a scalable and principled framework for constraint-driven and symmetry-aware generation.

Gaussian Process (GP) Variational Autoencoders (VAEs) extend standard VAEs by replacing the fully factorised Gaussian prior with a GP prior, thereby capturing richer correlations among latent variables. However, performing exact GP inference in large-scale GPVAEs is computationally prohibitive, often forcing existing approaches to rely on restrictive kernel assumptions or large sets of inducing points. In this work, we propose a neighbour-driven approximation strategy that exploits local adjacencies in the latent space to achieve scalable GPVAE inference. By confining computations to the nearest neighbours of each data point, our method preserves essential latent dependencies, allowing more flexible kernel choices and mitigating the need for numerous inducing points. Through extensive experiments on tasks including representation learning, data imputation, and conditional generation, we demonstrate that our approach outperforms other GPVAE variants in both predictive performance and computational efficiency.

This paper investigates the convergence behavior of score-based graph generative models (SGGMs). Unlike common score-based generative models (SGMs) that are governed by a single stochastic differential equation (SDE), SGGMs utilize a system of dependent SDEs, where the graph structure and node features are modeled separately, while accounting for their inherent dependencies. This distinction makes existing convergence analyses from SGMs inapplicable for SGGMs. In this work, we present the first convergence analysis for SGGMs, focusing on the convergence bound (the risk of generative error) across three key graph generation paradigms: (1) feature generation with a fixed graph structure, (2) graph structure generation with fixed node features, and (3) joint generation of both graph structure and node features. Our analysis reveals several unique factors specific to SGGMs (e.g., the topological properties of the graph structure) which significantly affect the convergence bound. Additionally, we offer theoretical insights into the selection of hyperparameters (e.g., sampling steps and diffusion length) and advocate for techniques like normalization to improve convergence. To validate our theoretical findings, we conduct a controlled empirical study using a synthetic graph model. The results in this paper contribute to a deeper theoretical understanding of SGGMs and offer practical guidance for designing more efficient and effective SGGMs.

The adoption of text-to-image diffusion models raises concerns over reliability, drawing scrutiny under the lens of various metrics like calibration, fairness, or compute efficiency. We focus in this work on two issues that arise when deploying these models: a lack of diversity when prompting images, and a tendency to recreate images from the training set. To solve both problems, we propose a method that coaxes the sampled trajectories of pretrained diffusion models to land on images that fall outside of a reference set. We achieve this by adding repellency terms to the diffusion SDE throughout the generation trajectory, which are triggered whenever the path is expected to land too closely to an image in the shielded reference set. Our method is sparse in the sense that these repellency terms are zero and inactive most of the time, and even more so towards the end of the generation trajectory. Our method, named SPELL for sparse repellency, can be used either with a static reference set that contains protected images, or dynamically, by updating the set at each timestep with the expected images concurrently generated within a batch, and with the images of previously generated batches. We show that adding SPELL to popular diffusion models improves their diversity while impacting their FID only marginally, and performs comparatively better than other recent training-free diversity methods. We also demonstrate how SPELL can ensure a shielded generation away from a very large set of protected images by considering all 1.2M images from ImageNet as the protected set.

Recent diffusion-based generative models achieve remarkable results by training on massive datasets, yet this practice raises concerns about memorization and copyright infringement. A proposed remedy is to train exclusively on noisy data with potential copyright issues, ensuring the model never observes original content. However, through the lens of deconvolution theory, we show that although it is theoretically feasible to learn the data distribution from noisy samples, the practical challenge of collecting sufficient samples makes successful learning nearly unattainable. To overcome this limitation, we propose to pretrain the model with a small fraction of clean data to guide the deconvolution process. Combined with our Stochastic Forward--Backward Deconvolution (SFBD) method, we attain FID 6.31 on CIFAR-10 with just 4% clean images (and 3.58 with 10%). We also provide theoretical guarantees that SFBD learns the true data distribution. These results underscore the value of limited clean pretraining, or pretraining on similar datasets. Empirical studies further validate and enrich our findings.

Counterfactual image generation presents significant challenges, including preserving identity, maintaining perceptual quality, and ensuring faithfulness to an underlying causal model. While existing auto-encoding frameworks admit semantic latent spaces which can be manipulated for causal control, they struggle with scalability and fidelity. Advancements in diffusion models present opportunities for improving counterfactual image editing, having demonstrated state-of-the-art visual quality, human-aligned perception and representation learning capabilities. Here, we present a suite of diffusion-based causal mechanisms, introducing the notions of spatial, semantic and dynamic abduction. We propose a general framework that integrates semantic representations into diffusion models through the lens of Pearlian causality to edit images via a counterfactual reasoning process. To the best of our knowledge, ours is the first work to consider high-level semantic identity preservation for diffusion counterfactuals and to demonstrate how semantic control enables principled trade-offs between faithful causal control and identity preservation.

While autoregressive models dominate natural language generation, their application to tabular data remains limited due to two challenges: 1) tabular data contains heterogeneous types, whereas autoregressive next-token (distribution) prediction is designed for discrete data, and 2) tabular data is column permutation-invariant, requiring flexible generation orders. Traditional autoregressive models, with their fixed generation order, struggle with tasks like missing data imputation, where the target and conditioning columns vary. To address these issues, we propose Diffusion-nested Non-autoregressive Transformer (TabNAT), a hybrid model combining diffusion processes and masked generative modeling. For continuous columns, TabNAT uses a diffusion model to parameterize their conditional distributions, while for discrete columns, it employs next-token prediction with KL divergence minimization. A masked Transformer with bi-directional attention enables order-agnostic generation, allowing it to learn the distribution of target columns conditioned on arbitrary observed columns. Extensive experiments on ten datasets with diverse properties demonstrate TabNAT's superiority in both unconditional tabular data generation and conditional missing data imputation tasks.

The practical applications of diffusion models have been limited by the misalignment between generated images and corresponding text prompts. Recent studies have introduced direct preference optimization (DPO) to enhance the alignment of these models. However, the effectiveness of DPO is constrained by the issue of visual inconsistency, where the significant visual disparity between well-aligned and poorly-aligned images prevents diffusion models from identifying which factors contribute positively to alignment during fine-tuning. To address this issue, this paper introduces D-Fusion, a method to construct DPO-trainable visually consistent samples. On one hand, by performing mask-guided self-attention fusion, the resulting images are not only well-aligned, but also visually consistent with given poorly-aligned images. On the other hand, D-Fusion can retain the denoising trajectories of the resulting images, which are essential for DPO training. Extensive experiments demonstrate the effectiveness of D-Fusion in improving prompt-image alignment when applied to different reinforcement learning algorithms.

While score-based generative models are the model of choice across diverse domains, there are limited tools available for controlling inference-time behavior in a principled manner, e.g. for composing multiple pretrained models. Existing classifier-free guidance methods use a simple heuristic to mix conditional and unconditional scores to approximately sample from conditional distributions. However, such methods do not approximate the intermediate distributions, necessitating additional `corrector' steps. In this work, we provide an efficient and principled method for sampling from a sequence of annealed, geometric-averaged, or product distributions derived from pretrained score-based models. We derive a weighted simulation scheme which we call Feynman-Kac Correctors (FKCs) based on the celebrated Feynman-Kac formula by carefully accounting for terms in the appropriate partial differential equations (PDEs). To simulate these PDEs, we propose Sequential Monte Carlo (SMC) resampling algorithms that leverage inference-time scaling to improve sampling quality. We empirically demonstrate the utility of our methods by proposing amortized sampling via inference-time temperature annealing, improving multi-objective molecule generation using pretrained models, and improving classifier-free guidance for text-to-image generation.

In many machine learning tasks, it is often necessary for the relationship between input and output variables to be monotonic, including both strictly monotonic and implicitly monotonic relationships. Traditional methods for maintaining monotonicity mainly rely on construction or regularization techniques, whereas this paper shows that the issue of strict monotonic probability can be viewed as a partial order between an observable revenue variable and a latent cost variable. This perspective enables us to reformulate the monotonicity challenge into modeling the latent cost variable. To tackle this, we introduce a generative network for the latent cost variable, termed the Generative Cost Model (**GCM**), which inherently addresses the strict monotonic problem, and propose the Implicit Generative Cost Model (**IGCM**) to address the implicit monotonic problem. We further validate our approach with a numerical simulation of quantile regression and conduct multiple experiments on public datasets, showing that our method significantly outperforms existing monotonic modeling techniques. The code for our experiments can be found at [https://github.com/tyxaaron/GCM](https://github.com/tyxaaron/GCM).

We propose MuseControlLite, a lightweight mechanism designed to fine-tune text-to-music generation models for precise conditioning using various time-varying musical attributes and reference audio signals. The key finding is that positional embeddings, which have been seldom used by text-to-music generation models in the conditioner for text conditions, are critical when the condition of interest is a function of time. Using melody control as an example, our experiments show that simply adding rotary positional embeddings to the decoupled cross-attention layers increases control accuracy from 56.6% to 61.1%, while requiring 6.75 times fewer trainable parameters than state-of-the-art fine-tuning mechanisms, using the same pre-trained diffusion Transformer model of Stable Audio Open. We evaluate various forms of musical attribute control, audio inpainting, and audio outpainting, demonstrating improved controllability over MusicGen-Large and Stable Audio Open ControlNet at a significantly lower fine-tuning cost, with only 85M trainable parameters. Source code, model checkpoints, and demo examples are available at: https://MuseControlLite.github.io/web/

Flow and diffusion models have demonstrated strong performance and training stability across various tasks but lack two critical properties of simulation-based methods: freedom of dimensionality and adaptability to different inference trajectories. To address this limitation, we propose the Multidimensional Adaptive Coefficient (MAC), a plug-in module for flow and diffusion models that extends conventional unidimensional coefficients to multidimensional ones and enables inference trajectory-wise adaptation. MAC is trained via simulation-based feedback through adversarial refinement. Empirical results across diverse frameworks and datasets demonstrate that MAC enhances generative quality with high training efficiency. Consequently, our work offers a new perspective on inference trajectory optimality, encouraging future research to move beyond vector field design and to leverage training-efficient, simulation-based optimization.

The development of deep generative models for tabular data is currently a very active research area in machine learning. These models, however, tend to be computationally heavy and require careful tuning of multiple model parameters. In this paper, we propose TabSDS - a lightweight, non-parametric, and model free alternative to tabular deep generative models which leverages rank and data shuffling transformations for generating synthetic data which closely approximates the joint probability distribution of the real data. We evaluate TabSDS against multiple baselines implemented in the Synthcity Python library across several datasets. TabSDS showed very competitive performance against all baselines (including TabDDPM - a strong baseline model for tabular data generation). Importantly, the execution time of TabSDS is orders of magnitude faster than the deep generative baselines, and also considerably faster than other computationally efficient baselines such as adversarial random forests.