Daily Papers

Arbitrary style transfer (AST) and domain generalization (DG) are important yet challenging visual learning tasks, which can be cast as a feature distribution matching problem. With the assumption of Gaussian feature distribution, conventional feature distribution matching methods usually match the mean and standard deviation of features. However, the feature distributions of real-world data are usually much more complicated than Gaussian, which cannot be accurately matched by using only the first-order and second-order statistics, while it is computationally prohibitive to use high-order statistics for distribution matching. In this work, we, for the first time to our best knowledge, propose to perform Exact Feature Distribution Matching (EFDM) by exactly matching the empirical Cumulative Distribution Functions (eCDFs) of image features, which could be implemented by applying the Exact Histogram Matching (EHM) in the image feature space. Particularly, a fast EHM algorithm, named Sort-Matching, is employed to perform EFDM in a plug-and-play manner with minimal cost. The effectiveness of our proposed EFDM method is verified on a variety of AST and DG tasks, demonstrating new state-of-the-art results. Codes are available at https://github.com/YBZh/EFDM.

We present Style Matching Score (SMS), a novel optimization method for image stylization with diffusion models. Balancing effective style transfer with content preservation is a long-standing challenge. Unlike existing efforts, our method reframes image stylization as a style distribution matching problem. The target style distribution is estimated from off-the-shelf style-dependent LoRAs via carefully designed score functions. To preserve content information adaptively, we propose Progressive Spectrum Regularization, which operates in the frequency domain to guide stylization progressively from low-frequency layouts to high-frequency details. In addition, we devise a Semantic-Aware Gradient Refinement technique that leverages relevance maps derived from diffusion semantic priors to selectively stylize semantically important regions. The proposed optimization formulation extends stylization from pixel space to parameter space, readily applicable to lightweight feedforward generators for efficient one-step stylization. SMS effectively balances style alignment and content preservation, outperforming state-of-the-art approaches, verified by extensive experiments.

Language-driven generative agents have enabled large-scale social simulations with transformative uses, from interpersonal training to aiding global policy-making. However, recent studies indicate that generative agent behaviors often deviate from expert expectations and real-world data--a phenomenon we term the Behavior-Realism Gap. To address this, we introduce a theoretical framework called Persona-Environment Behavioral Alignment (PEBA), formulated as a distribution matching problem grounded in Lewin's behavior equation stating that behavior is a function of the person and their environment. Leveraging PEBA, we propose PersonaEvolve (PEvo), an LLM-based optimization algorithm that iteratively refines agent personas, implicitly aligning their collective behaviors with realistic expert benchmarks within a specified environmental context. We validate PEvo in an active shooter incident simulation we developed, achieving an 84% average reduction in distributional divergence compared to no steering and a 34% improvement over explicit instruction baselines. Results also show PEvo-refined personas generalize to novel, related simulation scenarios. Our method greatly enhances behavioral realism and reliability in high-stakes social simulations. More broadly, the PEBA-PEvo framework provides a principled approach to developing trustworthy LLM-driven social simulations.

This work addresses image restoration tasks through the lens of inverse problems using unpaired datasets. In contrast to traditional approaches -- which typically assume full knowledge of the forward model or access to paired degraded and ground-truth images -- the proposed method operates under minimal assumptions and relies only on small, unpaired datasets. This makes it particularly well-suited for real-world scenarios, where the forward model is often unknown or misspecified, and collecting paired data is costly or infeasible. The method leverages conditional flow matching to model the distribution of degraded observations, while simultaneously learning the forward model via a distribution-matching loss that arises naturally from the framework. Empirically, it outperforms both single-image blind and unsupervised approaches on deblurring and non-uniform point spread function (PSF) calibration tasks. It also matches state-of-the-art performance on blind super-resolution. We also showcase the effectiveness of our method with a proof of concept for lens calibration: a real-world application traditionally requiring time-consuming experiments and specialized equipment. In contrast, our approach achieves this with minimal data acquisition effort.

We study the problem of imputing missing values in a dataset, which has important applications in many domains. The key to missing value imputation is to capture the data distribution with incomplete samples and impute the missing values accordingly. In this paper, by leveraging the fact that any two batches of data with missing values come from the same data distribution, we propose to impute the missing values of two batches of samples by transforming them into a latent space through deep invertible functions and matching them distributionally. To learn the transformations and impute the missing values simultaneously, a simple and well-motivated algorithm is proposed. Our algorithm has fewer hyperparameters to fine-tune and generates high-quality imputations regardless of how missing values are generated. Extensive experiments over a large number of datasets and competing benchmark algorithms show that our method achieves state-of-the-art performance.

Recent approaches have shown promises distilling diffusion models into efficient one-step generators. Among them, Distribution Matching Distillation (DMD) produces one-step generators that match their teacher in distribution, without enforcing a one-to-one correspondence with the sampling trajectories of their teachers. However, to ensure stable training, DMD requires an additional regression loss computed using a large set of noise-image pairs generated by the teacher with many steps of a deterministic sampler. This is costly for large-scale text-to-image synthesis and limits the student's quality, tying it too closely to the teacher's original sampling paths. We introduce DMD2, a set of techniques that lift this limitation and improve DMD training. First, we eliminate the regression loss and the need for expensive dataset construction. We show that the resulting instability is due to the fake critic not estimating the distribution of generated samples accurately and propose a two time-scale update rule as a remedy. Second, we integrate a GAN loss into the distillation procedure, discriminating between generated samples and real images. This lets us train the student model on real data, mitigating the imperfect real score estimation from the teacher model, and enhancing quality. Lastly, we modify the training procedure to enable multi-step sampling. We identify and address the training-inference input mismatch problem in this setting, by simulating inference-time generator samples during training time. Taken together, our improvements set new benchmarks in one-step image generation, with FID scores of 1.28 on ImageNet-64x64 and 8.35 on zero-shot COCO 2014, surpassing the original teacher despite a 500X reduction in inference cost. Further, we show our approach can generate megapixel images by distilling SDXL, demonstrating exceptional visual quality among few-step methods.

Multi-source domain adaptation has been intensively studied. The distribution shift in features inherent to specific domains causes the negative transfer problem, degrading a model's generality to unseen tasks. In Federated Learning (FL), learned model parameters are shared to train a global model that leverages the underlying knowledge across client models trained on separate data domains. Nonetheless, the data confidentiality of FL hinders the effectiveness of traditional domain adaptation methods that require prior knowledge of different domain data. We propose a new federated domain generalization method called Federated Knowledge Alignment (FedKA). FedKA leverages feature distribution matching in a global workspace such that the global model can learn domain-invariant client features under the constraint of unknown client data. FedKA employs a federated voting mechanism that generates target domain pseudo-labels based on the consensus from clients to facilitate global model fine-tuning. We performed extensive experiments, including an ablation study, to evaluate the effectiveness of the proposed method in both image and text classification tasks using different model architectures. The empirical results show that FedKA achieves performance gains of 8.8% and 3.5% in Digit-Five and Office-Caltech10, respectively, and a gain of 0.7% in Amazon Review with extremely limited training data. Moreover, we studied the effectiveness of FedKA in alleviating the negative transfer of FL based on a new criterion called Group Effect. The results show that FedKA can reduce negative transfer, improving the performance gain via model aggregation by 4 times.

Learning representations that capture the underlying data generating process is a key problem for data efficient and robust use of neural networks. One key property for robustness which the learned representation should capture and which recently received a lot of attention is described by the notion of invariance. In this work we provide a causal perspective and new algorithm for learning invariant representations. Empirically we show that this algorithm works well on a diverse set of tasks and in particular we observe state-of-the-art performance on domain generalization, where we are able to significantly boost the score of existing models.

While Federated Learning (FL) is gaining popularity for training machine learning models in a decentralized fashion, numerous challenges persist, such as asynchronization, computational expenses, data heterogeneity, and gradient and membership privacy attacks. Lately, dataset distillation has emerged as a promising solution for addressing the aforementioned challenges by generating a compact synthetic dataset that preserves a model's training efficacy. However, we discover that using distilled local datasets can amplify the heterogeneity issue in FL. To address this, we propose Federated Learning on Virtual Heterogeneous Data with Local-Global Dataset Distillation (FedLGD), where we seamlessly integrate dataset distillation algorithms into FL pipeline and train FL using a smaller synthetic dataset (referred as virtual data). Specifically, to harmonize the domain shifts, we propose iterative distribution matching to inpaint global information to local virtual data and use federated gradient matching to distill global virtual data that serve as anchor points to rectify heterogeneous local training, without compromising data privacy. We experiment on both benchmark and real-world datasets that contain heterogeneous data from different sources, and further scale up to an FL scenario that contains a large number of clients with heterogeneous and class-imbalanced data. Our method outperforms state-of-the-art heterogeneous FL algorithms under various settings. Our code is available at https://github.com/ubc-tea/FedLGD.

Solving Bayesian inverse problems efficiently remains a significant challenge due to the complexity of posterior distributions and the computational cost of traditional sampling methods. Given a series of observations and the forward model, we want to recover the distribution of the parameters, conditioned on observed experimental data. We show, that combining Conditional Flow Mathching (CFM) with transformer-based architecture, we can efficiently sample from such kind of distribution, conditioned on variable number of observations.

Predicting the intermediate trajectories between an initial and target distribution is a central problem in generative modeling. Existing approaches, such as flow matching and Schr\"odinger Bridge Matching, effectively learn mappings between two distributions by modeling a single stochastic path. However, these methods are inherently limited to unimodal transitions and cannot capture branched or divergent evolution from a common origin to multiple distinct outcomes. To address this, we introduce Branched Schr\"odinger Bridge Matching (BranchSBM), a novel framework that learns branched Schr\"odinger bridges. BranchSBM parameterizes multiple time-dependent velocity fields and growth processes, enabling the representation of population-level divergence into multiple terminal distributions. We show that BranchSBM is not only more expressive but also essential for tasks involving multi-path surface navigation, modeling cell fate bifurcations from homogeneous progenitor states, and simulating diverging cellular responses to perturbations.

Extracting in-distribution (ID) images from noisy images scraped from the Internet is an important preprocessing for constructing datasets, which has traditionally been done manually. Automating this preprocessing with deep learning techniques presents two key challenges. First, images should be collected using only the name of the ID class without training on the ID data. Second, as we can see why COCO was created, it is crucial to identify images containing not only ID objects but also both ID and out-of-distribution (OOD) objects as ID images to create robust recognizers. In this paper, we propose a novel problem setting called zero-shot in-distribution (ID) detection, where we identify images containing ID objects as ID images (even if they contain OOD objects), and images lacking ID objects as OOD images without any training. To solve this problem, we leverage the powerful zero-shot capability of CLIP and present a simple and effective approach, Global-Local Maximum Concept Matching (GL-MCM), based on both global and local visual-text alignments of CLIP features. Extensive experiments demonstrate that GL-MCM outperforms comparison methods on both multi-object datasets and single-object ImageNet benchmarks. The code will be available via https://github.com/AtsuMiyai/GL-MCM.

Material discovery is a critical area of research with the potential to revolutionize various fields, including carbon capture, renewable energy, and electronics. However, the immense scale of the chemical space makes it challenging to explore all possible materials experimentally. In this paper, we introduce FlowLLM, a novel generative model that combines large language models (LLMs) and Riemannian flow matching (RFM) to design novel crystalline materials. FlowLLM first fine-tunes an LLM to learn an effective base distribution of meta-stable crystals in a text representation. After converting to a graph representation, the RFM model takes samples from the LLM and iteratively refines the coordinates and lattice parameters. Our approach significantly outperforms state-of-the-art methods, increasing the generation rate of stable materials by over three times and increasing the rate for stable, unique, and novel crystals by sim50% - a huge improvement on a difficult problem. Additionally, the crystals generated by FlowLLM are much closer to their relaxed state when compared with another leading model, significantly reducing post-hoc computational cost.

Guidance of generative models is typically achieved by modifying the probability flow vector field through the addition of a guidance field. In this paper, we instead propose the Source-Guided Flow Matching (SGFM) framework, which modifies the source distribution directly while keeping the pre-trained vector field intact. This reduces the guidance problem to a well-defined problem of sampling from the source distribution. We theoretically show that SGFM recovers the desired target distribution exactly. Furthermore, we provide bounds on the Wasserstein error for the generated distribution when using an approximate sampler of the source distribution and an approximate vector field. The key benefit of our approach is that it allows the user to flexibly choose the sampling method depending on their specific problem. To illustrate this, we systematically compare different sampling methods and discuss conditions for asymptotically exact guidance. Moreover, our framework integrates well with optimal flow matching models since the straight transport map generated by the vector field is preserved. Experimental results on synthetic 2D benchmarks, physics-informed generative tasks, and imaging inverse problems demonstrate the effectiveness and flexibility of the proposed framework.

Crystalline materials are a fundamental component in next-generation technologies, yet modeling their distribution presents unique computational challenges. Of the plausible arrangements of atoms in a periodic lattice only a vanishingly small percentage are thermodynamically stable, which is a key indicator of the materials that can be experimentally realized. Two fundamental tasks in this area are to (a) predict the stable crystal structure of a known composition of elements and (b) propose novel compositions along with their stable structures. We present FlowMM, a pair of generative models that achieve state-of-the-art performance on both tasks while being more efficient and more flexible than competing methods. We generalize Riemannian Flow Matching to suit the symmetries inherent to crystals: translation, rotation, permutation, and periodic boundary conditions. Our framework enables the freedom to choose the flow base distributions, drastically simplifying the problem of learning crystal structures compared with diffusion models. In addition to standard benchmarks, we validate FlowMM's generated structures with quantum chemistry calculations, demonstrating that it is about 3x more efficient, in terms of integration steps, at finding stable materials compared to previous open methods.

Event Coreference Resolution (ECR) is the task of linking mentions of the same event either within or across documents. Most mention pairs are not coreferent, yet many that are coreferent can be identified through simple techniques such as lemma matching of the event triggers or the sentences in which they appear. Existing methods for training coreference systems sample from a largely skewed distribution, making it difficult for the algorithm to learn coreference beyond surface matching. Additionally, these methods are intractable because of the quadratic operations needed. To address these challenges, we break the problem of ECR into two parts: a) a heuristic to efficiently filter out a large number of non-coreferent pairs, and b) a training approach on a balanced set of coreferent and non-coreferent mention pairs. By following this approach, we show that we get comparable results to the state of the art on two popular ECR datasets while significantly reducing compute requirements. We also analyze the mention pairs that are "hard" to accurately classify as coreferent or non-coreferent. Code at https://github.com/ahmeshaf/lemma_ce_coref

Proximal operators are ubiquitous in inverse problems, commonly appearing as part of algorithmic strategies to regularize problems that are otherwise ill-posed. Modern deep learning models have been brought to bear for these tasks too, as in the framework of plug-and-play or deep unrolling, where they loosely resemble proximal operators. Yet, something essential is lost in employing these purely data-driven approaches: there is no guarantee that a general deep network represents the proximal operator of any function, nor is there any characterization of the function for which the network might provide some approximate proximal. This not only makes guaranteeing convergence of iterative schemes challenging but, more fundamentally, complicates the analysis of what has been learned by these networks about their training data. Herein we provide a framework to develop learned proximal networks (LPN), prove that they provide exact proximal operators for a data-driven nonconvex regularizer, and show how a new training strategy, dubbed proximal matching, provably promotes the recovery of the log-prior of the true data distribution. Such LPN provide general, unsupervised, expressive proximal operators that can be used for general inverse problems with convergence guarantees. We illustrate our results in a series of cases of increasing complexity, demonstrating that these models not only result in state-of-the-art performance, but provide a window into the resulting priors learned from data.

Dataset distillation has emerged as a powerful approach for reducing data requirements in deep learning. Among various methods, distribution matching-based approaches stand out for their balance of computational efficiency and strong performance. However, existing distance metrics used in distribution matching often fail to accurately capture distributional differences, leading to unreliable measures of discrepancy. In this paper, we reformulate dataset distillation as a minmax optimization problem and introduce Neural Characteristic Function Discrepancy (NCFD), a comprehensive and theoretically grounded metric for measuring distributional differences. NCFD leverages the Characteristic Function (CF) to encapsulate full distributional information, employing a neural network to optimize the sampling strategy for the CF's frequency arguments, thereby maximizing the discrepancy to enhance distance estimation. Simultaneously, we minimize the difference between real and synthetic data under this optimized NCFD measure. Our approach, termed Neural Characteristic Function Matching (), inherently aligns the phase and amplitude of neural features in the complex plane for both real and synthetic data, achieving a balance between realism and diversity in synthetic samples. Experiments demonstrate that our method achieves significant performance gains over state-of-the-art methods on both low- and high-resolution datasets. Notably, we achieve a 20.5\% accuracy boost on ImageSquawk. Our method also reduces GPU memory usage by over 300times and achieves 20times faster processing speeds compared to state-of-the-art methods. To the best of our knowledge, this is the first work to achieve lossless compression of CIFAR-100 on a single NVIDIA 2080 Ti GPU using only 2.3 GB of memory.

Generative machine learning methods, such as diffusion models and flow matching, have shown great potential in modeling complex system behaviors and building efficient surrogate models. However, these methods typically learn the underlying physics implicitly from data. We propose Physics-Based Flow Matching (PBFM), a novel generative framework that explicitly embeds physical constraints, both PDE residuals and algebraic relations, into the flow matching objective. We also introduce temporal unrolling at training time that improves the accuracy of the final, noise-free sample prediction. Our method jointly minimizes the flow matching loss and the physics-based residual loss without requiring hyperparameter tuning of their relative weights. Additionally, we analyze the role of the minimum noise level, sigma_{min}, in the context of physical constraints and evaluate a stochastic sampling strategy that helps to reduce physical residuals. Through extensive benchmarks on three representative PDE problems, we show that our approach yields up to an 8times more accurate physical residuals compared to FM, while clearly outperforming existing algorithms in terms of distributional accuracy. PBFM thus provides a principled and efficient framework for surrogate modeling, uncertainty quantification, and accelerated simulation in physics and engineering applications.