arXiv subjects

Stefano Ermon

Publications and source records attributed to Stefano Ermon.

At least 55 records · Page 3Linked to original sources

arXiv2025

MeanFlow Transformers with Representation Autoencoders

MeanFlow (MF) is a diffusion-motivated generative model that enables efficient few-step generation by learning long jumps directly from noise to data. In practice, it is often used as a latent MF by leveraging the pre-trained Stable Diffusion variational autoencoder (SD-VAE) for high-dimensional data modeling. However, MF training remains computationally demanding and is often unstable. During inference, the SD-VAE decoder dominates the generation cost, and MF depends on complex guidance hyperparameters for class-conditional generation. In this work, we develop an efficient training and sampling scheme for MF in the latent space of a Representation Autoencoder (RAE), where a pre-trained vision encoder (e.g., DINO) provides semantically rich latents paired with a lightweight decoder. We observe that naive MF training in the RAE latent space suffers from severe gradient explosion. To stabilize and accelerate training, we adopt Consistency Mid-Training for trajectory-aware initialization and use a two-stage scheme: distillation from a pre-trained flow matching teacher to speed convergence and reduce variance, followed by an optional bootstrapping stage with a one-point velocity estimator to further reduce deviation from the oracle mean flow. This design removes the need for guidance, simplifies training configurations, and reduces computation in both training and sampling. Empirically, our method achieves a 1-step FID of 2.03, outperforming vanilla MF's 3.43, while reducing sampling GFLOPS by 38% and total training cost by 83% on ImageNet 256. We further scale our approach to ImageNet 512, achieving a competitive 1-step FID of 3.23 with the lowest GFLOPS among all baselines. Code is available at https://github.com/sony/mf-rae.

cs.CV↗

arXiv2025

Divergence Minimization Preference Optimization for Diffusion Model Alignment

Diffusion models have achieved remarkable success in generating realistic and versatile images from text prompts. Inspired by the recent advancements of language models, there is an increasing interest in further improving the models by aligning with human preferences. However, we investigate alignment from a divergence minimization perspective and reveal that existing preference optimization methods are typically trapped in suboptimal mean-seeking optimization. In this paper, we introduce Divergence Minimization Preference Optimization (DMPO), a novel and principled method for aligning diffusion models by minimizing reverse KL divergence, which asymptotically enjoys the same optimization direction as original RL. We provide rigorous analysis to justify the effectiveness of DMPO and conduct comprehensive experiments to validate its empirical strength across both human evaluations and automatic metrics. Our extensive results show that diffusion models fine-tuned with DMPO can consistently outperform or match existing techniques, specifically consistently outperforming all baseline models across different base models and test sets, achieving the best PickScore in every case, demonstrating the method's superiority in aligning generative behavior with desired outputs. Overall, DMPO unlocks a robust and elegant pathway for preference alignment, bridging principled theory with practical performance in diffusion models.

cs.CV↗

arXiv2025

REAR: Rethinking Visual Autoregressive Models via Generator-Tokenizer Consistency Regularization

Visual autoregressive (AR) generation offers a promising path toward unifying vision and language models, yet its performance remains suboptimal against diffusion models. Prior work often attributes this gap to tokenizer limitations and rasterization ordering. In this work, we identify a core bottleneck from the perspective of generator-tokenizer inconsistency, i.e., the AR-generated tokens may not be well-decoded by the tokenizer. To address this, we propose reAR, a simple training strategy introducing a token-wise regularization objective: when predicting the next token, the causal transformer is also trained to recover the visual embedding of the current token and predict the embedding of the target token under a noisy context. It requires no changes to the tokenizer, generation order, inference pipeline, or external models. Despite its simplicity, reAR substantially improves performance. On ImageNet, it reduces gFID from 3.02 to 1.86 and improves IS to 316.9 using a standard rasterization-based tokenizer. When applied to advanced tokenizers, it achieves a gFID of 1.42 with only 177M parameters, matching the performance with larger state-of-the-art diffusion models (675M).

cs.CV↗

arXiv2025

GeoEvolve: Automating Geospatial Model Discovery via Multi-Agent Large Language Models

Geospatial modeling provides critical solutions for pressing global challenges such as sustainability and climate change. Existing large language model (LLM)-based algorithm discovery frameworks, such as AlphaEvolve, excel at evolving generic code but lack the domain knowledge and multi-step reasoning required for complex geospatial problems. We introduce GeoEvolve, a multi-agent LLM framework that couples evolutionary search with geospatial domain knowledge to automatically design and refine geospatial algorithms. GeoEvolve operates in two nested loops: an inner loop leverages a code evolver to generate and mutate candidate solutions, while an outer agentic controller evaluates global elites and queries a GeoKnowRAG module -- a structured geospatial knowledge base that injects theoretical priors from geography. This knowledge-guided evolution steers the search toward theoretically meaningful and computationally efficient algorithms. We evaluate GeoEvolve on two fundamental and classical tasks: spatial interpolation (kriging) and spatial uncertainty quantification (geospatial conformal prediction). Across these benchmarks, GeoEvolve automatically improves and discovers new algorithms, incorporating geospatial theory on top of classical models. It reduces spatial interpolation error (RMSE) by 13-21% and enhances uncertainty estimation performance by 17\%. Ablation studies confirm that domain-guided retrieval is essential for stable, high-quality evolution. These results demonstrate that GeoEvolve provides a scalable path toward automated, knowledge-driven geospatial modeling, opening new opportunities for trustworthy and efficient AI-for-Science discovery.

cs.AI↗

arXiv2025

G2D2: Gradient-Guided Discrete Diffusion for Inverse Problem Solving

Recent literature has effectively leveraged diffusion models trained on continuous variables as priors for solving inverse problems. Notably, discrete diffusion models with discrete latent codes have shown strong performance, particularly in modalities suited for discrete compressed representations, such as image and motion generation. However, their discrete and non-differentiable nature has limited their application to inverse problems formulated in continuous spaces. This paper presents a novel method for addressing linear inverse problems by leveraging generative models based on discrete diffusion as priors. We overcome these limitations by approximating the true posterior distribution with a variational distribution constructed from categorical distributions and continuous relaxation techniques. Furthermore, we employ a star-shaped noise process to mitigate the drawbacks of traditional discrete diffusion models with absorbing states, demonstrating that our method performs comparably to continuous diffusion techniques with a lower GPU memory consumption. Our code is available at https://github.com/sony/g2d2.

cs.CV↗

arXiv2025

Unsupervised Anomaly Detection Using Diffusion Trend Analysis for Display Inspection

Reconstruction-based anomaly detection via denoising diffusion model has limitations in determining appropriate noise parameters that can degrade anomalies while preserving normal characteristics. Also, normal regions can fluctuate considerably during reconstruction, resulting in false detection. In this paper, we propose a method to detect anomalies by analysis of reconstruction trend depending on the degree of degradation, effectively solving the both problems that impede practical application in display inspection.

cs.CV↗

arXiv2025

Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.

cs.LG↗

arXiv2025

Probabilistic Graphical Models: A Concise Tutorial

Probabilistic graphical modeling is a branch of machine learning that uses probability distributions to describe the world, make predictions, and support decision-making under uncertainty. Underlying this modeling framework is an elegant body of theory that bridges two mathematical traditions: probability and graph theory. This framework provides compact yet expressive representations of joint probability distributions, yielding powerful generative models for probabilistic reasoning. This tutorial provides a concise introduction to the formalisms, methods, and applications of this modeling framework. After a review of basic probability and graph theory, we explore three dominant themes: (1) the representation of multivariate distributions in the intuitive visual language of graphs, (2) algorithms for learning model parameters and graphical structures from data, and (3) algorithms for inference, both exact and approximate.

cs.LG↗

arXiv2025

CHORDS: Diffusion Sampling Accelerator with Multi-core Hierarchical ODE Solvers

Diffusion-based generative models have become dominant generators of high-fidelity images and videos but remain limited by their computationally expensive inference procedures. Existing acceleration techniques either require extensive model retraining or compromise significantly on sample quality. This paper explores a general, training-free, and model-agnostic acceleration strategy via multi-core parallelism. Our framework views multi-core diffusion sampling as an ODE solver pipeline, where slower yet accurate solvers progressively rectify faster solvers through a theoretically justified inter-core communication mechanism. This motivates our multi-core training-free diffusion sampling accelerator, CHORDS, which is compatible with various diffusion samplers, model architectures, and modalities. Through extensive experiments, CHORDS significantly accelerates sampling across diverse large-scale image and video diffusion models, yielding up to 2.1x speedup with four cores, improving by 50% over baselines, and 2.9x speedup with eight cores, all without quality degradation. This advancement enables CHORDS to establish a solid foundation for real-time, high-fidelity diffusion generation.

cs.LG↗

arXiv2025

Zero-Shot Cyclic Peptide Design via Composable Geometric Constraints

Cyclic peptides, characterized by geometric constraints absent in linear peptides, offer enhanced biochemical properties, presenting new opportunities to address unmet medical needs. However, designing target-specific cyclic peptides remains underexplored due to limited training data. To bridge the gap, we propose CP-Composer, a novel generative framework that enables zero-shot cyclic peptide generation via composable geometric constraints. Our approach decomposes complex cyclization patterns into unit constraints, which are incorporated into a diffusion model through geometric conditioning on nodes and edges. During training, the model learns from unit constraints and their random combinations in linear peptides, while at inference, novel constraint combinations required for cyclization are imposed as input. Experiments show that our model, despite trained with linear peptides, is capable of generating diverse target-binding cyclic peptides, reaching success rates from 38% to 84% on different cyclization strategies.

cs.LG↗

arXiv2025

GeoAda: Efficiently Finetune Geometric Diffusion Models with Equivariant Adapters

Geometric diffusion models have shown remarkable success in molecular dynamics and structure generation. However, efficiently fine-tuning them for downstream tasks with varying geometric controls remains underexplored. In this work, we propose an SE(3)-equivariant adapter framework ( GeoAda) that enables flexible and parameter-efficient fine-tuning for controlled generative tasks without modifying the original model architecture. GeoAda introduces a structured adapter design: control signals are first encoded through coupling operators, then processed by a trainable copy of selected pretrained model layers, and finally projected back via decoupling operators followed by an equivariant zero-initialized convolution. By fine-tuning only these lightweight adapter modules, GeoAda preserves the model's geometric consistency while mitigating overfitting and catastrophic forgetting. We theoretically prove that the proposed adapters maintain SE(3)-equivariance, ensuring that the geometric inductive biases of the pretrained diffusion model remain intact during adaptation. We demonstrate the wide applicability of GeoAda across diverse geometric control types, including frame control, global control, subgraph control, and a broad range of application domains such as particle dynamics, molecular dynamics, human motion prediction, and molecule generation. Empirical results show that GeoAda achieves state-of-the-art fine-tuning performance while preserving original task accuracy, whereas other baselines experience significant performance degradation due to overfitting and catastrophic forgetting.

cs.LG↗

arXiv2025

Mercury: Ultra-Fast Language Models Based on Diffusion

We present Mercury, a new generation of commercial-scale large language models (LLMs) based on diffusion. These models are parameterized via the Transformer architecture and trained to predict multiple tokens in parallel. In this report, we detail Mercury Coder, our first set of diffusion LLMs designed for coding applications. Currently, Mercury Coder comes in two sizes: Mini and Small. These models set a new state-of-the-art on the speed-quality frontier. Based on independent evaluations conducted by Artificial Analysis, Mercury Coder Mini and Mercury Coder Small achieve state-of-the-art throughputs of 1109 tokens/sec and 737 tokens/sec, respectively, on NVIDIA H100 GPUs and outperform speed-optimized frontier models by up to 10x on average while maintaining comparable quality. We discuss additional results on a variety of code benchmarks spanning multiple languages and use-cases as well as real-world validation by developers on Copilot Arena, where the model currently ranks second on quality and is the fastest model overall. We also release a public API at https://platform.inceptionlabs.ai/ and free playground at https://chat.inceptionlabs.ai

cs.CL↗

arXiv2025

Scaling Probabilistic Circuits via Monarch Matrices

Probabilistic Circuits (PCs) are tractable representations of probability distributions allowing for exact and efficient computation of likelihoods and marginals. Recent advancements have improved the scalability of PCs either by leveraging their sparse properties or through the use of tensorized operations for better hardware utilization. However, no existing method fully exploits both aspects simultaneously. In this paper, we propose a novel sparse and structured parameterization for the sum blocks in PCs. By replacing dense matrices with sparse Monarch matrices, we significantly reduce the memory and computation costs, enabling unprecedented scaling of PCs. From a theory perspective, our construction arises naturally from circuit multiplication; from a practical perspective, compared to previous efforts on scaling up tractable probabilistic models, our approach not only achieves state-of-the-art generative modeling performance on challenging benchmarks like Text8, LM1B and ImageNet, but also demonstrates superior scaling behavior, achieving the same performance with substantially less compute as measured by the number of floating-point operations (FLOPs) during training.

cs.LG↗

arXiv2025

Exploring Diffusion Transformer Designs via Grafting

Designing model architectures requires decisions such as selecting operators (e.g., attention, convolution) and configurations (e.g., depth, width). However, evaluating the impact of these decisions on model quality requires costly pretraining, limiting architectural investigation. Inspired by how new software is built on existing code, we ask: can new architecture designs be studied using pretrained models? To this end, we present grafting, a simple approach for editing pretrained diffusion transformers (DiTs) to materialize new architectures under small compute budgets. Informed by our analysis of activation behavior and attention locality, we construct a testbed based on the DiT-XL/2 design to study the impact of grafting on model quality. Using this testbed, we develop a family of hybrid designs via grafting: replacing softmax attention with gated convolution, local attention, and linear attention, and replacing MLPs with variable expansion ratio and convolutional variants. Notably, many hybrid designs achieve good quality (FID: 2.38-2.64 vs. 2.27 for DiT-XL/2) using <2% pretraining compute. We then graft a text-to-image model (PixArt-Sigma), achieving a 1.43x speedup with less than a 2% drop in GenEval score. Finally, we present a case study that restructures DiT-XL/2 by converting every pair of sequential transformer blocks into parallel blocks via grafting. This reduces model depth by 2x and yields better quality (FID: 2.77) than other models of comparable depth. Together, we show that new diffusion model designs can be explored by grafting pretrained DiTs, with edits ranging from operator replacement to architecture restructuring. Code and grafted models: https://grafting.stanford.edu

cs.LG↗

arXiv2025

RelDiff: Relational Data Generative Modeling with Graph-Based Diffusion Models

Real-world databases are predominantly relational, comprising multiple interlinked tables that contain complex structural and statistical dependencies. Learning generative models on relational data has shown great promise in generating synthetic data and imputing missing values. However, existing methods often struggle to capture this complexity, typically reducing relational data to conditionally generated flat tables and imposing limiting structural assumptions. To address these limitations, we introduce RelDiff, a novel diffusion generative model that synthesizes complete relational databases by explicitly modeling their foreign key graph structure. RelDiff combines a joint graph-conditioned diffusion process across all tables for attribute synthesis, and a $2K+$SBM graph generator based on the Stochastic Block Model for structure generation. The decomposition of graph structure and relational attributes ensures both high fidelity and referential integrity, both of which are crucial aspects of synthetic relational database generation. Experiments on 11 benchmark datasets demonstrate that RelDiff consistently outperforms prior methods in producing realistic and coherent synthetic relational databases. Code is available at https://github.com/ValterH/RelDiff.

cs.LG↗

arXiv2025

Inductive Moment Matching

Diffusion models and Flow Matching generate high-quality samples but are slow at inference, and distilling them into few-step models often leads to instability and extensive tuning. To resolve these trade-offs, we propose Inductive Moment Matching (IMM), a new class of generative models for one- or few-step sampling with a single-stage training procedure. Unlike distillation, IMM does not require pre-training initialization and optimization of two networks; and unlike Consistency Models, IMM guarantees distribution-level convergence and remains stable under various hyperparameters and standard model architectures. IMM surpasses diffusion models on ImageNet-256x256 with 1.99 FID using only 8 inference steps and achieves state-of-the-art 2-step FID of 1.98 on CIFAR-10 for a model trained from scratch.

cs.LG↗

arXiv2025

Non-Myopic Multi-Objective Bayesian Optimization

We consider the problem of finite-horizon sequential experimental design to solve multi-objective optimization (MOO) of expensive black-box objective functions. This problem arises in many real-world applications, including materials design, where we have a small resource budget to make and evaluate candidate materials in the lab. We solve this problem using the framework of Bayesian optimization (BO) and propose the first set of non-myopic methods for MOO problems. Prior work on non-myopic BO for single-objective problems relies on the Bellman optimality principle to handle the lookahead reasoning process. However, this principle does not hold for most MOO problems because the reward function needs to satisfy some conditions: scalar variable, monotonicity, and additivity. We address this challenge by using hypervolume improvement (HVI) as our scalarization approach, which allows us to use a lower-bound on the Bellman equation to approximate the finite-horizon using a batch expected hypervolume improvement (EHVI) acquisition function (AF) for MOO. Our formulation naturally allows us to use other improvement-based scalarizations and compare their efficacy to HVI. We derive three non-myopic AFs for MOBO: 1) the Nested AF, which is based on the exact computation of the lower bound, 2) the Joint AF, which is a lower bound on the nested AF, and 3) the BINOM AF, which is a fast and approximate variant based on batch multi-objective acquisition functions. Our experiments on multiple diverse real-world MO problems demonstrate that our non-myopic AFs substantially improve performance over the existing myopic AFs for MOBO.

cs.LG↗

arXiv2025

Reviving Any-Subset Autoregressive Models with Principled Parallel Sampling and Speculative Decoding

In arbitrary-order language models, it is an open question how to sample tokens in parallel from the correct joint distribution. With discrete diffusion models, the more tokens they generate in parallel, the less their predicted distributions adhere to the originally learned data distribution, as they rely on a conditional independence assumption that only works with infinitesimally small timesteps. We find that a different class of models, any-subset autoregressive models (AS-ARMs), holds the solution. As implied by the name, AS-ARMs can generate tokens in any order, and in parallel. Moreover, AS-ARMs support parallelized joint probability density estimation, allowing them to correct their own parallel-generated token distributions, via our Any-Subset Speculative Decoding (ASSD) algorithm. ASSD provably enables generation of tokens from the correct joint distribution, with the number of neural network calls upper bounded by the number of tokens predicted. We empirically verify that ASSD speeds up language generation, without sacrificing quality. Furthermore, we provide a mathematically justified scheme for training AS-ARMs for generation, and show that AS-ARMs achieve state-of-the-art performance among sub-200M parameter models on infilling benchmark tasks, and nearly match the performance of models 50X larger on code generation. Our theoretical and empirical results indicate that the once-forgotten AS-ARMs are a promising direction of language modeling.

cs.LG↗