Abstract:Generations from large language models often fail to conform to desired constraints such as JSON schema. Existing locally constrained decoding (LCD) approaches enforce constraints by myopically masking out next tokens, resulting in biased sampling and degradation in performance. Recent work uses sequential Monte Carlo (SMC) methods to mitigate such biases, but designing effective proposal distributions or potential functions remains a key challenge. In this work, we propose a generic approach to construct proposals and potentials for SMC sampling from $p_{\mathrm{lm}}( \cdot \mid \mathrm{constraint})$. First, we show that constraints specified as finite automata can be tensorized for efficient execution on GPUs, which we use to construct globally constrained decoding (GCD) proposals. In addition, leveraging the fact that tensorized finite automata share the same circuit structure as hidden Markov models, we circuit-multiply them to obtain the probabilistic GCD (P-GCD) proposals encoding both logical and probabilistic information about the target distributions. We evaluate (P-)GCD on the tasks of function calling, keyword-based generation, and SQL generation. Experiments show that under the same SMC sampling setup, compared to LCD proposals, (P-)GCD converges faster to the target distribution with significantly fewer particles.
Abstract:Preference optimization has emerged as an efficient alternative to online reinforcement learning from human feedback (RLHF) for aligning text-to-image diffusion models. However, existing methods largely reduce supervision to binary pairwise comparisons. This pairwise reduction is limiting when training data naturally contains multiple candidate images for the same prompt, and when continuous reward scores can provide richer information than a single winner-loser label. To address these limitations, we propose Diffusion LAIR, a reward-aware listwise preference optimization method for diffusion models. For each prompt, LAIR converts reward scores across a group of candidate images into centered advantage weights, then optimizes an advantage-weighted regression objective on the implicit reward, defined as the denoising-loss improvement of the current model over a fixed reference model, with a quadratic penalty that regularizes the magnitude of the implicit reward. The resulting objective uses all candidates simultaneously rather than selecting pairs, and remains conservative by explicitly controlling the magnitude of the implicit reward. The LAIR objective admits a bounded closed-form optimum in implicit-reward space, clarifying how the regularization strength controls the magnitude of the preference update. Experiments show that Diffusion LAIR outperforms strong preference optimization baselines on SD1.5 and SDXL across text-to-image generation, compositional generation, and image editing benchmarks.
Abstract:Operational disaster response goes beyond damage assessment, requiring responders to integrate multi-sensor signals, reason over road networks, populations and key facilities, plan evacuations, and produce actionable reports. However, prior work largely isolates remote-sensing perception or evaluates generic tool use, leaving the end-to-end workflows of emergency operations underexplored. In this paper, we introduce Disaster Operational Response Agent benchmark (DORA), the first agentic benchmark for end-to-end disaster response: 515 expert-authored tasks across 45 real-world disaster events spanning 10 types, paired with expert-verified, replayable gold trajectories totaling 3,500 tool-call steps. Tasks span five dimensions that cover the operational disaster-response pipeline: disaster perception, spatial relational analysis, rescue and evacuation planning, temporal evolution reasoning, and multi-modal report synthesis. Agents compose calls from a 108-tool MCP library over heterogeneous geospatial data: optical, SAR, and multi-spectral imagery across single-, bi-, and multi-temporal sequences (0.015-10m GSD), complemented by elevation and social vector layers. We comprehensively evaluate 13 frontier LLMs on our benchmark, revealing three persistent challenges: 1) disaster-domain grounding exposes unique failure modes (damage-semantic grounding, sensor-modality mismatch, and disaster-pipeline composition); 2) agents are doubly bottlenecked by tool selection and argument grounding, where gold tool-order hints improve accuracy by only 1.08-4.40%, and alternative scaffolds yield at most a 3.24% gain; 3) compositional fragility scales with trajectory length, the agent-to-gold gap widening from 7% to 56% on long pipelines. DORA establishes a rigorous testbed for operationally reliable disaster-response agents.
Abstract:Diffusion models and flow-based methods have shown impressive generative capability, especially for images, but their sampling is expensive because it requires many iterative updates. We introduce W-Flow, a framework for training a generator that transforms samples from a simple reference distribution into samples from a target data distribution in a single step. This is achieved in two steps: we first define an evolution from the reference distribution to the target distribution through a Wasserstein gradient flow that minimizes an energy functional; second, we train a static neural generator to compress this evolution into one-step generation. We instantiate the energy functional with the Sinkhorn divergence, which yields an efficient optimal-transport-based update rule that captures global distributional discrepancy and improves coverage of the target distribution. We further prove that the finite-sample training dynamics converge to the continuous-time distributional dynamics under suitable assumptions. Empirically, W-Flow sets a new state of the art for one-step ImageNet 256$\times$256 generation, achieving 1.29 FID, with improved mode coverage and domain transfer. Compared to multi-step diffusion models with similar FID scores, our method yields approximately 100$\times$ faster sampling. These results show that Wasserstein gradient flows provide a principled and effective foundation for fast and high-fidelity generative modeling.
Abstract:Poverty statistics guide social policy, but in many low- and middle-income countries, censuses and household surveys that collect these data are costly, infrequent, quickly outdated, and sometimes error-prone. Satellite imagery offers global coverage and the possibility of predicting economic livelihoods at scale, yet existing approaches to predicting livelihoods with imagery or other non-traditional data often fail to reliably identify local-level variation and, as we show, degrade under temporal shift. Here we introduce Tempov, a satellite foundation model pretrained by self-supervision on three million bi-temporal Landsat pairs and adapted with parameter-efficient fine-tuning to sparse survey labels. The model enables large-scale, high-resolution wealth mapping and dynamic measurement, including zero-shot nowcasting up to a decade after observed labels, retrospective hindcasting, and decadal change tracking, while outperforming existing neural network and geospatial foundation-model baselines. In low-label regimes, Tempov achieves competitive accuracy with only 10% of survey samples, indicating substantially reduced dependence on expensive label collection. The model further generalizes across populous countries within and outside Africa, and scales to a unified Africa-wide model with strong continent-level performance ($R^2=0.63$, $r^2=0.68$), from which we generate high-resolution decadal maps of wealth and wealth changes for the African continent. Analysis of these maps shows large variation in recent economic performance both within and across countries. Our open-source approach provides a pathway to timely, scalable, low-cost monitoring of wealth and poverty from routinely collected satellite data.
Abstract:Language models are increasingly used in scientific discovery to generate hypotheses, propose candidate solutions, implement systems, and iteratively refine them. At the core of these trial-and-error loops lies evaluation: the process of obtaining feedback on candidate solutions via verifiers, simulators, or task-specific scoring functions. While prior work has highlighted the importance of evaluation, it has not explicitly formulated the problem of how evaluation-driven discovery loops can be scaled up in a principled and effective manner to push the boundaries of scientific discovery, a problem this paper seeks to address. We introduce Simple Test-time Evaluation-driven Scaling (SimpleTES), a general framework that strategically combines parallel exploration, feedback-driven refinement, and local selection, revealing substantial gains unlocked by scaling evaluation-driven discovery loops along the right dimensions. Across 21 scientific problems spanning six domains, SimpleTES discovers state-of-the-art solutions using gpt-oss models, consistently outperforming both frontier-model baselines and sophisticated optimization pipelines. Particularly, we sped up the widely used LASSO algorithm by over 2x, designed quantum circuit routing policies that reduce gate overhead by 24.5%, and discovered new Erdos minimum overlap constructions that surpass the best-known results. Beyond novel discoveries, SimpleTES produces trajectory-level histories that naturally supervise feedback-driven learning. When post-trained on successful trajectories, models not only improve efficiency on seen problems but also generalize to unseen problems, discovering solutions that base models fail to uncover. Together, our results establish effective evaluation-driven loop scaling as a central axis for advancing LLM-driven scientific discovery, and provide a simple yet practical framework for realizing these gains.
Abstract:Generating molecular dynamics (MD) trajectories using deep generative models has attracted increasing attention, yet remains inherently challenging due to the limited availability of MD data and the complexities involved in modeling high-dimensional MD distributions. To overcome these challenges, we propose a novel framework that leverages structure pretraining for MD trajectory generation. Specifically, we first train a diffusion-based structure generation model on a large-scale conformer dataset, on top of which we introduce an interpolator module trained on MD trajectory data, designed to enforce temporal consistency among generated structures. Our approach effectively harnesses abundant structural data to mitigate the scarcity of MD trajectory data and effectively decomposes the intricate MD modeling task into two manageable subproblems: structural generation and temporal alignment. We comprehensively evaluate our method on the QM9 and DRUGS small-molecule datasets across unconditional generation, forward simulation, and interpolation tasks, and further extend our framework and analysis to tetrapeptide and protein monomer systems. Experimental results confirm that our approach excels in generating chemically realistic MD trajectories, as evidenced by remarkable improvements of accuracy in geometric, dynamical, and energetic measurements.
Abstract:Diffusion models have become the dominant tool for high-fidelity image and video generation, yet are critically bottlenecked by their inference speed due to the numerous iterative passes of Diffusion Transformers. To reduce the exhaustive compute, recent works resort to the feature caching and reusing scheme that skips network evaluations at selected diffusion steps by using cached features in previous steps. However, their preliminary design solely relies on local approximation, causing errors to grow rapidly with large skips and leading to degraded sample quality at high speedups. In this work, we propose spectral diffusion feature forecaster (Spectrum), a training-free approach that enables global, long-range feature reuse with tightly controlled error. In particular, we view the latent features of the denoiser as functions over time and approximate them with Chebyshev polynomials. Specifically, we fit the coefficient for each basis via ridge regression, which is then leveraged to forecast features at multiple future diffusion steps. We theoretically reveal that our approach admits more favorable long-horizon behavior and yields an error bound that does not compound with the step size. Extensive experiments on various state-of-the-art image and video diffusion models consistently verify the superiority of our approach. Notably, we achieve up to 4.79$\times$ speedup on FLUX.1 and 4.67$\times$ speedup on Wan2.1-14B, while maintaining much higher sample quality compared with the baselines.
Abstract:Adversarial diffusion and diffusion-inversion methods have advanced unpaired image-to-image translation, but each faces key limitations. Adversarial approaches require target-domain adversarial loss during training, which can limit generalization to unseen data, while diffusion-inversion methods often produce low-fidelity translations due to imperfect inversion into noise-latent representations. In this work, we propose the Self-Supervised Semantic Bridge (SSB), a versatile framework that integrates external semantic priors into diffusion bridge models to enable spatially faithful translation without cross-domain supervision. Our key idea is to leverage self-supervised visual encoders to learn representations that are invariant to appearance changes but capture geometric structure, forming a shared latent space that conditions the diffusion bridges. Extensive experiments show that SSB outperforms strong prior methods for challenging medical image synthesis in both in-domain and out-of-domain settings, and extends easily to high-quality text-guided editing.
Abstract:Training-data attribution for vision generative models aims to identify which training data influenced a given output. While most methods score individual examples, practitioners often need group-level answers (e.g., artistic styles or object classes). Group-wise attribution is counterfactual: how would a model's behavior on a generated sample change if a group were absent from training? A natural realization of this counterfactual is Leave-One-Group-Out (LOGO) retraining, which retrains the model with each group removed; however, it becomes computationally prohibitive as the number of groups grows. We propose GUDA (Group Unlearning-based Data Attribution) for diffusion models, which approximates each counterfactual model by applying machine unlearning to a shared full-data model instead of training from scratch. GUDA quantifies group influence using differences in a likelihood-based scoring rule (ELBO) between the full model and each unlearned counterfactual. Experiments on CIFAR-10 and artistic style attribution with Stable Diffusion show that GUDA identifies primary contributing groups more reliably than semantic similarity, gradient-based attribution, and instance-level unlearning approaches, while achieving x100 speedup on CIFAR-10 over LOGO retraining.