ICLR 2025 Papers

Currently many benchmarks have been proposed to evaluate the perception ability of the Large Vision-Language Models (LVLMs). However, most benchmarks conduct questions by selecting images from existing datasets, resulting in the potential data leakage. Besides, these benchmarks merely focus on evaluating LVLMs on the realistic style images and clean scenarios, leaving the multi-stylized images and noisy scenarios unexplored. In response to these challenges, we propose a dynamic and scalable benchmark named Dysca for evaluating LVLMs by leveraging synthesis images. Specifically, we leverage Stable Diffusion and design a rule-based method to dynamically generate novel images, questions and the corresponding answers. We consider 51 kinds of image styles and evaluate the perception capability in 20 subtasks. Moreover, we conduct evaluations under 4 scenarios (i.e., Clean, Corruption, Print Attacking and Adversarial Attacking) and 3 question types (i.e., Multi-choices, True-or-false and Free-form). Thanks to the generative paradigm, Dysca serves as a scalable benchmark for easily adding new subtasks and scenarios. A total of 24 advanced open-source LVLMs and 2 close-source LVLMs are evaluated on Dysca, revealing the drawbacks of current LVLMs. The benchmark is released in anonymous github page \url{https://github.com/Benchmark-Dysca/Dysca}.

Classifier-free guidance (CFG) has become the standard method for enhancing the quality of conditional diffusion models. However, employing CFG requires either training an unconditional model alongside the main diffusion model or modifying the training procedure by periodically inserting a null condition. There is also no clear extension of CFG to unconditional models. In this paper, we revisit the core principles of CFG and introduce a new method, independent condition guidance (ICG), which provides the benefits of CFG without the need for any special training procedures. Our approach streamlines the training process of conditional diffusion models and can also be applied during inference on any pre-trained conditional model. Additionally, by leveraging the time-step information encoded in all diffusion networks, we propose an extension of CFG, called time-step guidance (TSG), which can be applied to *any* diffusion model, including unconditional ones. Our guidance techniques are easy to implement and have the same sampling cost as CFG. Through extensive experiments, we demonstrate that ICG matches the performance of standard CFG across various conditional diffusion models. Moreover, we show that TSG improves generation quality in a manner similar to CFG, without relying on any conditional information.

Diffusion models are mainly studied on image data. However, non-image data (e.g., tabular data) are also prevalent in real applications and tend to be noisy due to some inevitable factors in the stage of data collection, degrading the generation quality of diffusion models. In this paper, we consider a novel problem setting where every collected sample is paired with a vector indicating the data quality: risk vector. This setting applies to many scenarios involving noisy data and we propose risk-sensitive SDE, a type of stochastic differential equation (SDE) parameterized by the risk vector, to address it. With some proper coefficients, risk-sensitive SDE can minimize the negative effect of noisy samples on the optimization of diffusion models. We conduct systematic studies for both Gaussian and non-Gaussian noise distributions, providing analytical forms of risk-sensitive SDE. To verify the effectiveness of our method, we have conducted extensive experiments on multiple tabular and time-series datasets, showing that risk-sensitive SDE permits a robust optimization of diffusion models with noisy samples and significantly outperforms previous baselines.

As deep generative models have progressed, recent work has shown them to be capable of memorizing and reproducing training datapoints when deployed. These findings call into question the usability of generative models, especially in light of the legal and privacy risks brought about by memorization. To better understand this phenomenon, we propose the *manifold memorization hypothesis* (MMH), a geometric framework which leverages the manifold hypothesis into a clear language in which to reason about memorization. We propose to analyze memorization in terms of the relationship between the dimensionalities of $(i)$ the ground truth data manifold and $(ii)$ the manifold learned by the model. This framework provides a formal standard for "how memorized" a datapoint is and systematically categorizes memorized data into two types: memorization driven by overfitting and memorization driven by the underlying data distribution. By analyzing prior work in the context of the MMH, we explain and unify assorted observations in the literature. We empirically validate the MMH using synthetic data and image datasets up to the scale of Stable Diffusion, developing new tools for detecting and preventing generation of memorized samples in the process.

Generative modeling has seen significant advancements in image and video synthesis. However, the curse of dimensionality remains a significant obstacle, especially for video generation, given its inherently complex and high-dimensional nature. Many existing works rely on low-dimensional latent spaces from pretrained image autoencoders. However, this approach overlooks temporal redundancy in videos and often leads to temporally incoherent decoding. To address this issue, we propose a video compression network that reduces the dimensionality of visual data both spatially and temporally. Our model, based on a variational autoencoder, employs causal 3D convolution to handle images and videos jointly. The key contributions of our work include a scale-agnostic encoder for preserving video fidelity, a novel spatio-temporal down/upsampling block for robust long-sequence modeling, and a flow regularization loss for accurate motion decoding. Our approach outperforms competitors in video quality and compression rates across various datasets. Experimental analyses also highlight its potential as a robust autoencoder for video generation training.

Consistency models have recently been introduced to accelerate the generation speed of diffusion models by directly predicting the solution (data) of the probability flow ODE (PF ODE) from initial noise. However, the training of consistency models requires learning to map all intermediate points along PF ODE trajectories to their corresponding endpoints. This task is much more challenging than the ultimate objective of one-step generation, which only concerns the PF ODE's noise-to-data mapping. We empirically find that this training paradigm limits the one-step generation performance of consistency models. To address this issue, we generalize consistency training to the truncated time range, which allows the model to ignore denoising tasks at earlier time steps and focus its capacity on generation. We propose a new parameterization of the consistency function and a two-stage training procedure that prevent the truncated-time training from collapsing to a trivial solution. Experiments on CIFAR-10 and ImageNet $64\times64$ datasets show that our method achieves better one-step and two-step FIDs than the state-of-the-art consistency models such as iCT-deep, using more than 2$\times$ smaller networks.

Diffusion models excel at creating visually impressive images but often struggle to generate images with a specified topology. The Betti number, which represents the number of structures in an image, is a fundamental measure in topology. Yet, diffusion models fail to satisfy even this basic constraint. This limitation restricts their utility in applications requiring exact control, like robotics and environmental modeling. To address this, we propose TopoDiffusionNet (TDN), a novel approach that enforces diffusion models to maintain the desired topology. We leverage tools from topological data analysis, particularly persistent homology, to extract the topological structures within an image. We then design a topology-based objective function to guide the denoising process, preserving intended structures while suppressing noisy ones. Our experiments across four datasets demonstrate significant improvements in topological accuracy. TDN is the first to integrate topology with diffusion models, opening new avenues of research in this area.

Equivariance encodes known symmetries into neural networks, often enhancing generalization. However, equivariant networks cannot *break* symmetries: the output of an equivariant network must, by definition, have at least the same self-symmetries as its input. This poses an important problem, both (1) for prediction tasks on domains where self-symmetries are common, and (2) for generative models, which must break symmetries in order to reconstruct from highly symmetric latent spaces. This fundamental limitation can in fact be addressed by considering *equivariant conditional distributions*, instead of equivariant functions. We therefore present novel theoretical results that establish necessary and sufficient conditions for representing such distributions. Concretely, this representation provides a practical framework for breaking symmetries in any equivariant network via randomized canonicalization. Our method, SymPE (Symmetry-breaking Positional Encodings), admits a simple interpretation in terms of positional encodings. This approach expands the representational power of equivariant networks while retaining the inductive bias of symmetry, which we justify through generalization bounds. Experimental results demonstrate that SymPE significantly improves performance of group-equivariant and graph neural networks across diffusion models for graphs, graph autoencoders, and lattice spin system modeling.

Learning informative representations of phylogenetic tree structures is essential for analyzing evolutionary relationships. Classical distance-based methods have been widely used to project phylogenetic trees into Euclidean space, but they are often sensitive to the choice of distance metric and may lack sufficient resolution. In this paper, we introduce *phylogenetic variational autoencoders* (PhyloVAEs), an unsupervised learning framework designed for representation learning and generative modeling of tree topologies. Leveraging an efficient encoding mechanism inspired by autoregressive tree topology generation, we develop a deep latent-variable generative model that facilitates fast, parallelized topology generation. PhyloVAE combines this generative model with a collaborative inference model based on learnable topological features, allowing for high-resolution representations of phylogenetic tree samples. Extensive experiments demonstrate PhyloVAE's robust representation learning capabilities and fast generation of phylogenetic tree topologies.

Recently, there is a growing interest in creating computer-aided design (CAD) models based on user intent, known as controllable CAD generation. Existing work offers limited controllability and needs separate models for different types of control, reducing efficiency and practicality. To achieve controllable generation across all CAD construction hierarchies, such as sketch-extrusion, extrusion, sketch, face, loop and curve, we propose FlexCAD, a unified model by fine-tuning large language models (LLMs). First, to enhance comprehension by LLMs, we represent a CAD model as a structured text by abstracting each hierarchy as a sequence of text tokens. Second, to address various controllable generation tasks in a unified model, we introduce a hierarchy-aware masking strategy. Specifically, during training, we mask a hierarchy-aware field in the CAD text with a mask token. This field, composed of a sequence of tokens, can be set flexibly to represent various hierarchies. Subsequently, we ask LLMs to predict this masked field. During inference, the user intent is converted into a CAD text with a mask token replacing the part the user wants to modify, which is then fed into FlexCAD to generate new CAD models. Comprehensive experiments on public dataset demonstrate the effectiveness of FlexCAD in both generation quality and controllability.

Generative models aim to simulate realistic effects of various actions across different contexts, from text generation to visual effects. Despite significant efforts to build real-world simulators, the application of generative models to virtual worlds, like financial markets, remains under-explored. In financial markets, generative models can simulate complex market effects of participants with various behaviors, enabling interaction under different market conditions, and training strategies without financial risk. This simulation relies on the finest structured data in financial market like orders thus building the finest realistic simulation. We propose Large Market Model (LMM), an order-level generative foundation model, for financial market simulation, akin to language modeling in the digital world. Our financial Market Simulation engine (MarS), powered by LMM, addresses the domain-specific need for realistic, interactive and controllable order generation. Key observations include LMM's strong scalability across data size and model complexity, and MarS's robust and practicable realism in controlled generation with market impact. We showcase MarS as a forecast tool, detection system, analysis platform, and agent training environment, thus demonstrating MarS's ``paradigm shift'' potential for a variety of financial applications. We release the code of MarS at https://github.com/microsoft/MarS/.

Investigating critical phenomena or phase transitions is of high interest in physics and chemistry, for which Monte Carlo (MC) simulations, a crucial tool for numerically analyzing macroscopic properties of given systems, are often hindered by an emerging divergence of correlation length---known as scale invariance at criticality (SIC) in the renormalization group theory. SIC causes the system to behave the same at any length scale, from which many existing sampling methods suffer: long-range correlations cause critical slowing down in Markov chain Monte Carlo (MCMC), and require intractably large receptive fields for generative samplers. In this paper, we propose a Renormalization-informed Generative Critical Sampler (RiGCS)---a novel sampler specialized for near-critical systems, where SIC is leveraged as an advantage rather than a nuisance. Specifically, RiGCS builds on MultiLevel Monte Carlo (MLMC) with Heat Bath (HB) algorithms, which perform ancestral sampling from low-resolution to high-resolution lattice configurations with site wise-independent conditional HB sampling. Although MLMC-HB is highly efficient under exact SIC, it suffers from a low acceptance rate under slight SIC violation. Notably, SIC violation always occurs in finite-size systems, and may induce long-range and higher-order interactions in the renormalized distributions, which are not considered by independent HB samplers. RiGCS enhances MLMC-HB by replacing a part of the conditional HB sampler with generative models that capture those residual interactions and improve the sampling efficiency. Our experiments show that the effective sample size of RiGCS is a few orders of magnitude higher than state-of-the-art generative model baselines in sampling configurations for $128 \times 128$ two-dimensional Ising systems. SIC also allows us to adopt a specialized sequential training protocol with model transfer, which significantly accelerates training.

With the advancement of diffusion models (DMs) and the substantially increased computational requirements, quantization emerges as a practical solution to obtain compact and efficient low-bit DMs. However, the highly discrete representation leads to severe accuracy degradation, hindering the quantization of diffusion models to ultra-low bit-widths. This paper proposes a novel weight binarization approach for DMs, namely BinaryDM, pushing binarized DMs to be accurate and efficient by improving the representation and optimization. From the representation perspective, we present an Evolvable-Basis Binarizer (EBB) to enable a smooth evolution of DMs from full-precision to accurately binarized. EBB enhances information representation in the initial stage through the flexible combination of multiple binary bases and applies regularization to evolve into efficient single-basis binarization. The evolution only occurs in the head and tail of the DM architecture to retain the stability of training. From the optimization perspective, a Low-rank Representation Mimicking (LRM) is applied to assist the optimization of binarized DMs. The LRM mimics the representations of full-precision DMs in low-rank space, alleviating the direction ambiguity of the optimization process caused by fine-grained alignment. Comprehensive experiments demonstrate that BinaryDM achieves significant accuracy and efficiency gains compared to SOTA quantization methods of DMs under ultra-low bit-widths. With 1-bit weight and 4-bit activation (W1A4), BinaryDM achieves as low as 7.74 FID and saves the performance from collapse (baseline FID 10.87). As the first binarization method for diffusion models, W1A4 BinaryDM achieves impressive 15.2x OPs and 29.2x model size savings, showcasing its substantial potential for edge deployment.

We consider function spaces defined by self-attention networks without normalization, and theoretically analyze their geometry. Since these networks are polynomial, we rely on tools from algebraic geometry. In particular, we study the identifiability of deep attention by providing a description of the generic fibers of the parametrization for an arbitrary number of layers and, as a consequence, compute the dimension of the function space. Additionally, for a single-layer model, we characterize the singular and boundary points. Finally, we formulate a conjectural extension of our results to normalized self-attention networks, prove it for a single layer, and numerically verify it in the deep case.

Generative models on discrete state-spaces have a wide range of potential applications, particularly in the domain of natural sciences. In continuous state-spaces, controllable and flexible generation of samples with desired properties has been realized using guidance on diffusion and flow models. However, these guidance approaches are not readily amenable to discrete state-space models. Consequently, we introduce a general and principled method for applying guidance on such models. Our method depends on leveraging continuous-time Markov processes on discrete state-spaces, which unlocks computational tractability for sampling from a desired guided distribution. We demonstrate the utility of our approach, Discrete Guidance, on a range of applications including guided generation of small-molecules, DNA sequences and protein sequences.

In open-ended generative tasks like narrative writing or dialogue, large language models often exhibit cultural biases, showing limited knowledge and generating templated outputs for less prevalent cultures. Recent works show that these biases may stem from uneven cultural representation in pretraining corpora. This work investigates how pretraining leads to biased culture-conditioned generations by analyzing how models associate entities with cultures based on pretraining data patterns. We propose the MEMOED framework (MEMOrization from prEtraining Document) to determine whether a generation for a culture arises from memorization. Using MEMOED on culture-conditioned generations about food and clothing for 110 cultures, we find that high-frequency cultures in pretraining data yield more generations with memorized symbols, while some low-frequency cultures produce none. Additionally, the model favors generating entities with extraordinarily high frequency regardless of the conditioned culture, reflecting biases toward frequent pretraining terms irrespective of relevance. We hope that the MEMOED framework and our insights will inspire more works on attributing model performance on pretraining data.

Generative Flow Networks (GFlowNets) are a family of generative models that learn to sample objects with probabilities proportional to a given reward function. The key concept behind GFlowNets is the use of two stochastic policies: a forward policy, which incrementally constructs compositional objects, and a backward policy, which sequentially deconstructs them. Recent results show a close relationship between GFlowNet training and entropy-regularized reinforcement learning (RL) problems with a particular reward design. However, this connection applies only in the setting of a fixed backward policy, which might be a significant limitation. As a remedy to this problem, we introduce a simple backward policy optimization algorithm that involves direct maximization of the value function in an entropy-regularized Markov Decision Process (MDP) over intermediate rewards. We provide an extensive experimental evaluation of the proposed approach across various benchmarks in combination with both RL and GFlowNet algorithms and demonstrate its faster convergence and mode discovery in complex environments.

The cuneiform writing system served as the medium for transmitting knowledge in the ancient Near East for a period of over three thousand years. Cuneiform signs have a complex internal structure which is the subject of expert paleographic analysis, as variations in sign shapes bear witness to historical developments and transmission of writing and culture over time. However, prior automated techniques mostly treat sign types as categorical and do not explicitly model their highly varied internal configurations. In this work, we present an unsupervised approach for recovering the fine-grained internal configuration of cuneiform signs by leveraging powerful generative models and the appearance and structure of prototype font images as priors. Our approach, ProtoSnap, enforces structural consistency on matches found with deep image features to estimate the diverse configurations of cuneiform characters, snapping a skeleton-based template to photographed cuneiform signs. We provide a new benchmark of expert annotations and evaluate our method on this task. Our evaluation shows that our approach succeeds in aligning prototype skeletons to a wide variety of cuneiform signs. Moreover, we show that conditioning on structures produced by our method allows for generating synthetic data with correct structural configurations, significantly boosting the performance of cuneiform sign recognition beyond existing techniques, in particular over rare signs. Our code, data, and trained models are available at the project page: https://tau-vailab.github.io/ProtoSnap/

Sparse autoencoders (SAEs) are a promising approach to interpreting the internal representations of transformer language models. However, SAEs are usually trained separately on each transformer layer, making it difficult to use them to study how information flows across layers. To solve this problem, we introduce the multi-layer SAE (MLSAE): a single SAE trained on the residual stream activation vectors from every transformer layer. Given that the residual stream is understood to preserve information across layers, we expected MLSAE latents to 'switch on' at a token position and remain active at later layers. Interestingly, we find that individual latents are often active at a single layer for a given token or prompt, but the layer at which an individual latent is active may differ for different tokens or prompts. We quantify these phenomena by defining a distribution over layers and considering its variance. We find that the variance of the distributions of latent activations over layers is about two orders of magnitude greater when aggregating over tokens compared with a single token. For larger underlying models, the degree to which latents are active at multiple layers increases, which is consistent with the fact that the residual stream activation vectors at adjacent layers become more similar. Finally, we relax the assumption that the residual stream basis is the same at every layer by applying pre-trained tuned-lens transformations, but our findings remain qualitatively similar. Our results represent a new approach to understanding how representations change as they flow through transformers. We release our code to train and analyze MLSAEs at https://github.com/tim-lawson/mlsae.