Conditional Generative Modeling

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Conditional generative modeling studies how to generate plausible data given information such as labels, text, images, measurements, or physical parameters. Common approaches include conditional GANs and VAEs, normalizing flows, diffusion and score-based models, flow matching, and autoregressive or masked models. These methods support tasks such as image reconstruction, time-series forecasting, molecular design, and scientific inverse problems, where many possible outputs may fit the same input. A central challenge is balancing fidelity to the condition and output diversity with fast sampling, reliable uncertainty, and generalization to unseen conditions.

Latest papers

393 papers53 papers in the last four weeks, up 39% on the four weeks before. 0.3% of all new papers.

May 9, 2026

ECTraj: Enhanced Consistency Training for Multi-Agent Trajectory Prediction

Diffusion models for multi-agent trajectory prediction are limited by iterative denoising, which causes inference latency that hinders their use in time-critical settings like autonomous driving. Fast-sampling variants using DDIM and informed initial noise distributions partially alleviate this issue, but they either fail to achieve true single-step generation or are constrained by the chosen noise distribution. Consistency Models (CMs) offer high-quality one-step generation by mapping noise directly to data, but are difficult to train from scratch. We propose ECTraj, an enhanced CM pipeline with improved training and conditional generation for trajectory prediction. Our framework extends the student-teacher consistency training scheme: the student produces standard outputs, while the teacher explicitly fuses its predictions with parts of the ground truth to give stronger supervision. We also exploit CMs' direct denoising for top-K multi-shot generation during training. Combining conditional generation with this enhanced consistency objective yields faster inference and improved prediction accuracy, establishing competitive new benchmarks on the large-scale Argoverse 2 dataset.

Alen Mrdovic, Qingze, Liu +6

Tony · Rutgers University, New Brunswick · The College of New Jersey

Trajectory Generation Multi-Agent Trajectory Prediction Consistency Distillation Agent Trajectory Analysis Conditional Generative Modeling Diffusion Model Inference Acceleration+1

May 8, 2026

Toward Better Geometric Representations for Molecule Generative Models

Geometric representation-conditioned molecule generation provides an effective paradigm that decouples molecule representation modeling from structure generation. By decoupling molecule generation into two stages-first generating a meaningful molecule representation, and then generating a 3D molecule conditioned on this representation-the efficiency and quality of the generation process can be significantly enhanced. However, its effectiveness is fundamentally limited by the quality of the representation space: pretrained molecular encoders, such as UniMol, produce representations that are non-smooth and not fully exploited during the generative training process. In this work, we propose LENSEs, a framework that better exploits the potential of molecule representations in representation-conditioned generation methods. In particular, LENSEs introduces three complementary mechanisms: (1) a representation head, simultaneously trained during generative tasks, that extracts multi-level representations from the pretrained encoder; (2) a molecule perceptual loss that optimizes the generator in a semantic-informative representation space; and (3) a node-level representation alignment (REPA) loss that explicitly aligns the generator's hidden states with encoder representations, reducing the semantic gap between pretraining and generation. We demonstrate the effectiveness of these improvements through extensive molecule generation tasks. Specifically, on the challenging molecule generation dataset GEOM-DRUG, LENSEs achieves 97.28% validity and 98.51% molecule stability, surpassing existing advanced methods. Further analyses through Lipschitz constant reduction (4.6x) and QM9 probing tasks also demonstrate the smoother, more informative refined representations, establishing generative training with alignment objectives as a potential pretraining paradigm for molecular encoders.

Shaoheng Yan, Zian Li, Cai Zhou +3

Institute for Artificial Intelligence, PKU · ByteDance AI Drug Discovery · School of Intelligence Science and Technology, PKU +3

Geometric Representation Learning 3D Molecular Generation Molecular Generation Conditional Generative Modeling Molecular Representation Learning

May 8, 2026

Excluding the Target Domain Improves Extrapolation: Deconfounded Hierarchical Physics Constraints

Extrapolation to out-of-distribution conditions is a fundamental challenge for physics-constrained deep generative models. Existing methods apply physical constraints as a single static regularization term uniformly across the generation process, and address neither the hierarchical structure of physical laws and the confounding variable problem. We propose the Deconfounded Hierarchical Gate (DHG), which serves as a diagnostic and control mechanism: it identifies when and how strongly temperature confounding contaminates each constraint level, so that hierarchical gates reflect intrinsic physical inconsistency rather than spurious temperature effects. DHG combines counterfactual estimation via the do-operator with backdoor adjustment to remove confounding, then applies Coarse-to-Fine physical constraints progressively. We report a counter-intuitive finding in pretraining: excluding the target-domain data from pretraining outperforms including it by 39% in extrapolation performance (RMSE 0.224 vs. 0.324). This occurs because FNO learns domain-agnostic physical patterns that transfer more effectively when the target domain is withheld. On a lithium-ion battery temperature extrapolation benchmark (trained at 24 degrees Celsius, evaluated at 4.0--43.0 degrees Celsius), our method achieves RMSE = 0.215, a 46% improvement over the unconstrained baseline (Pure CFM: 0.397).

Tsuyoshi Okita

Kyushu Institute of Technology

OOD Generalization Physics-Informed ML Conditional Generative Modeling

May 7, 2026

Tyche: One Step Flow for Efficient Probabilistic Weather Forecasting

Probabilistic weather forecasting requires not only accurate trajectories, but calibrated distributions over plausible atmospheric futures. Recent data-driven systems have achieved remarkable deterministic skill, and diffusion-based ensemble forecasters have substantially improved sample realism and uncertainty quantification. However, their inference cost scales with forecast horizon, ensemble size, and the number of denoising steps required for each transition, making large operational ensembles expensive. To address this, we present Tyche, a one-step conditional flow model for efficient probabilistic weather forecasting. Tyche models the conditional forecast distribution with a destination-aware average-velocity flow that maps Gaussian noise directly to future weather states in a single function evaluation (1-NFE). To make this one-step transport learnable in high-dimensional geophysical fields, we derive a JVP-regularized rectification objective that enforces temporal self-consistency across source and destination flow timesteps without explicitly forming Jacobians. The transport field is parameterized by an isotropic Swin-style transformer that preserves fine-scale spatial structure while remaining scalable on global grids. To improve ensemble reliability under autoregressive forecasting, we further introduce a rollout-based finetuning stage with curriculum CRPS calibration supervision. Experiments on ERA5 at 1.5

^\circ

and 6-hour resolution show that our Tyche, using merely a single NFE, matches or exceeds the forecast skill and calibration of state-of-the-art multi-step generative baselines and the operational ECMWF IFS ensemble.

Fan Xu, Yuan Gao, Kun Wang +4

1USTC · 2SLAI · 3THU +3

Flow Matching Probabilistic Forecasting One-Step Generative Modeling Conditional Generative Modeling

May 7, 2026

Flow Matching with Arbitrary Auxiliary Paths

We introduce a new generative modeling framework, Flow Matching with Arbitrary Auxiliary Paths (AuxPath-FM), which generalizes conditional flow matching by incorporating an auxiliary variable drawn from an arbitrary distribution into the probability path. Unlike prior methods that restrict auxiliary components to Gaussian noise, AuxPath-FM allows the variable

η

to follow any distribution, producing trajectories of the form

X_t = a(t)X_1 + b(t)X_0 + c(t)η

. We theoretically demonstrate that this construction preserves the continuity equation and maintains a training objective consistent with the marginal formulation. This flexibility enables the design of diverse probability paths using various priors, including Gaussian, Uniform, Laplace, and discrete Rademacher distributions, each offering unique geometric properties for generative flows. Furthermore, our framework allows for specialized tasks such as label-guided generation by encoding structured semantic information into the auxiliary distribution. Overall, AuxPath-FM provides a principled and general foundation for probability path design, offering both theoretical generality and practical flexibility for diverse generative modeling tasks.

Xin Peng, Ang Gao

School of Physical Science and Technology, Beijing University of Posts and Telecommunications, Beijing, China

Conditional Flow Matching Flow-Based Generative Modeling Conditional Generative Modeling

May 7, 2026

A Flow Matching Algorithm for Many-Shot Adaptation to Unseen Distributions

While generative modeling has achieved remarkable success on tasks like natural language-conditioned image generation, enabling model adaptation from example data points remains a relatively underexplored and challenging problem. To this end, we propose Function Projection for Flow Matching (FP-FM), an algorithm that directly conditions generation on samples from the target distribution. FP-FM learns basis functions to span the velocity fields corresponding to a set of training distributions, and adapts to new distributions by computing a simple least-squares projection onto this basis. This enables efficient generation of samples from diverse target distributions without additional training at inference time. We further introduce multiple variants of FP-FM that provide a trade-off in expressivity and compute by enriching the coefficient calculation, e.g., by making the coefficients dependent on time. FP-FM achieves greatly improved precision and recall relative to baselines across synthetic and image-based datasets, with especially strong gains on unseen distributions.

Tyler Ingebrand, Ruihan Zhao, Kushagra Gupta +3

University of Texas at Austin

Flow Matching Flow-Based Generative Modeling Conditional Generative Modeling

May 7, 2026

Conditional generation of antibody sequences with classifier-guided germline-absorbing discrete diffusion

Antibody therapeutics are among the most successful modern medicines, yet computationally designing antibodies with desirable binding and developability properties remains challenging. While protein language models (pLMs) have emerged as powerful tools for antibody sequence design, existing approaches largely suffer from two key limitations: they predominantly memorize germline sequences rather than modeling biologically meaningful somatic variation, and they offer limited support for flexible classifier-guided conditional generation. We address these challenges through two primary contributions. First, we demonstrate that discrete diffusion fine-tuning achieves strong language modeling performance on antibody sequences while allowing for generation conditioned on any off-the-shelf classifier. Second, we introduce germline absorbing diffusion, a novel modification of the discrete diffusion noise process in which the germline sequence - rather than a masked sequence - serves as the absorbing state. This biologically motivated inductive bias restricts the model to learning the trajectory from germline to observed sequence, effectively excluding genetic variation and V(D)J recombination statistics from the learned distribution and dramatically mitigating germline bias. We show that germline diffusion improves non-germline residue prediction accuracy from 26 percent to 46 percent, approaching the theoretical upper bound set by true biological variability. We then demonstrate the utility of our germline diffusion model on the conditional generation tasks of sampling antibodies with improved hydrophobicity and predicted binding affinity. On both tasks our model shows an improved tradeoff between class adherence and sample quality, significantly outperforming EvoProtGrad, a popular strategy to sample from pLMs with gradient-based discrete Markov Chain Monte Carlo.

Justin Sanders, Luca Giancardo, Lan Guo +4

Paul G. Allen School of Computer Science and Engineering, University of Washington · ∗Work performed during internship at Amazon Web Services · Life Sciences, Amazon Web Services

Diffusion Model Guidance Protein Language Models Molecular Generation Protein Design Conditional Generative Modeling Diffusion Models

May 7, 2026

GCCM: Enhancing Generative Graph Prediction via Contrastive Consistency Model

Conditional generative models, particularly diffusion-based methods, have recently been applied to graph prediction by modeling the target as a conditional distribution given the input graph, yielding competitive results compared to deterministic predictor. However, existing diffusion-based prediction methods typically require expensive iterative denoising at inference and often suffer from unstable sampling, which motivates recent efforts to reduce inference denoising steps and enable stable sampling via techniques such as consistency training. Despite this progress, we find that existing consistency training methods for graph prediction could potentially fall into a shortcut solution: the model may attempt to satisfy the self-consistency constraint by ignoring the noisy target (i.e., assigning it negligible weight), ultimately collapsing into a purely deterministic predictor. To mitigate such shortcut solution, we propose GCCM, a graph contrastive consistency model that goes beyond isolated pairwise matching between the same target at different noise levels by introducing negative pairs into a contrastive consistency objective. This adds an additional separation requirement, making the shortcut solution no longer trivially sufficient to satisfy the proposed objective. Moreover, we apply feature perturbation to the input node/edge features to break identical conditioning on the input graph, so that the shortcut no longer yields the same predictions across noise levels and becomes less attractive. Extensive experiments on benchmark datasets demonstrate that GCCM mitigates the shortcut solution and yields consistent performance improvements in graph prediction compared to deterministic predictors.

Shaozhen Ma, Wei Huang, Hanchen Wang +2

University of New South Wales · University of Technology Sydney

Conditional Generative Modeling Consistency Models Graph Diffusion

May 6, 2026

Active Learning for Conditional Generative Compressed Sensing

Generative compressed sensing uses the range of a pretrained generator as a nonlinear model for recovering structured signals from limited measurements. We study a conditional version of this problem for image recovery from subsampled Fourier measurements using prompt-conditioned generative models. Our framework separates two roles of conditioning: the prompt used to design the sampling distribution and the prompt used to define the recovery model. For ReLU and Lipschitz conditional generators, we prove stable recovery bounds showing that prompt-matched Christoffel sampling retains the same Christoffel complexity constant as existing near-optimal generative compressed sensing theory, while prompt mismatch incurs an explicit compatibility penalty. Experiments with Stable Diffusion show that prompts meaningfully reshape Christoffel sampling distributions and influence image recovery. Overall, our results suggest that prompts should be treated as design variables with distinct effects on sensing, approximation, and recovery.

Alexander DeLise, Nick Dexter

Department of Scientific Computing Department of Mathematics Florida State University · Department of Scientific Computing Florida State University

Compressed Sensing Conditional Generative Modeling Adaptive Sensing

May 4, 2026

Fine-Grained Graph Generation through Latent Mixture Scheduling

Structure aware graph generation aims to generate graphs that satisfy given topological properties. It has applications in domains such as drug discovery, social network modeling, and knowledge graph construction. Unlike existing methods that only provide coarse control over graph properties, we introduce a novel conditional variational autoencoder for fine-grained structural control in graph generation. The approach refines the decoder's latent space by dynamically aligning graph- and property-driven representations to improve both graph fidelity and control satisfaction. Specifically, the approach implements a mixture scheduler that progressively integrates graph and control priors. Experiments on five real-world datasets show the efficacy of the proposed model compared to recent baselines, achieving high generation quality while maintaining high controllability.

Nidhi Vakil, Hadi Amiri

Department of Computer Science University of Massachusetts Lowell

Graph Generation Generative Modeling Conditional Variational Autoencoder Conditional Generative Modeling

May 2, 2026

Arbitrarily Conditioned Hierarchical Flows for Spatiotemporal Events

Events in spatiotemporal systems are ubiquitous, yet modeling their complex distributions remains challenging. Existing point process models often rely on strong structural assumptions and are typically limited to autoregressive, event-by-event prediction. As a result, they struggle to support broader inference tasks such as inverse inference, trajectory reconstruction, and recovery of missing event locations. We introduce Arbitrarily Conditioned Hierarchical Flows (ARCH), a hierarchical flow matching framework for spatiotemporal event modeling. ARCH is expressive enough to capture complex event distributions while enabling tractable and accurate computation of conditional intensities, which quantify instantaneous event risk. Built on a history-encoder-generative-decoder architecture, ARCH introduces a hybrid masking strategy for flexible conditioning on arbitrary observed events. This enables a unified treatment of forecasting, inverse inference, and partial trajectory recovery within a single framework. Experiments on synthetic and real-world datasets show that ARCH consistently outperforms existing baselines across both prediction and conditional inference tasks.

Keyan Chen, Qiwei Yuan, Zhitong Xu +2

Kahlert School of Computing University of Utah · Celonis AI

Temporal Point Processes Flow Matching Spatiotemporal Forecasting Conditional Generative Modeling

May 1, 2026

Co-Generative De Novo Functional Protein Design

De novo functional protein design aims to generate protein sequences that realize specified biochemical functions without relying on evolutionary templates, enabling broad applications in biotechnology and medicine. Existing approaches adopt either direct function-to-sequence mapping or decoupled structure-sequence generation strategies but often fail to achieve functionality and foldability simultaneously. To address this, we propose CodeFP, a Co-generative protein language model for de novo Functional Protein design that simultaneously decodes sequence and structure tokens, thereby enabling superior simultaneous realization of functionality and foldability. CodeFP utilizes functional local structures to enrich functional semantic encodings, overcoming the suboptimal translation of flat encodings into structure tokens, while introducing auxiliary functional supervision to alleviate training ambiguity stemming from the one-to-many structure-to-token mapping. Extensive experiments show that CodeFP consistently achieves average improvements of 6.1% in functional consistency and 3.2% in foldability over the strongest baseline.

Xinrui Chen, Yizhen Luo, Siqi Fan +1

Institute for AI Industry Research (AIR), Tsinghua University · Department of Computer Science and Technology, Tsinghua University · PharMolix Inc.

Protein Language Models Molecular Generation Protein Design Conditional Generative Modeling Protein Structure Generation

May 1, 2026

Proteo-R1: Reasoning Foundation Models for De Novo Protein Design

Deep learning in de novo protein design has achieved atomic-level fidelity. However, existing models remain largely non-deliberative: they directly synthesize molecular geometries without explicitly reasoning about which residues or interactions are functionally essential. As a result, design decisions are entangled with continuous sampling dynamics, limiting interpretability, controllability, and systematic reuse of biochemical knowledge. We introduce Proteo-R1, a reasoning-guided protein design framework that explicitly decouples molecular understanding from geometric generation. Proteo-R1 adopts a dual-expert architecture in which a multimodal large language model (MLLM) serves as an understanding expert, analyzing protein sequences, structures, and textual context to identify key functional residues that govern binding and specificity. These residue-level decisions are then passed as hard constraints to a separate diffusion-based generation expert, which performs conditional co-design while respecting the fixed interaction anchors. This factorization mirrors how human experts approach molecular engineering: first, reasoning about critical interactions, then optimizing geometry subject to those constraints. By operationalizing reasoning as explicit residue-level commitments rather than latent textual guidance, Proteo-R1 achieves stable, interpretable, and modular integration of LLM reasoning with state-of-the-art geometric generative models. Code, data, and demos are available at https://smiles724.github.io/r1/.

Fang Wu, Weihao Xuan, Heli Qi +26

Stanford University

Molecular Generation Generative Modeling 3D Molecular Generation Conditional Generative Modeling Protein Design Large Language Model-Guided Scientific Discovery+1

Apr 30, 2026

AMGenC: Generating Charge Balanced Amorphous Materials

Amorphous (disordered) materials are solids that have shown great potential in various domains, including energy storage, thermal management, and advanced materials. Unlike crystalline materials that can be described by unit cells containing a few to hundreds of atoms, amorphous materials require larger simulation cells with at least hundreds to thousands of atoms. To advance the design of amorphous materials with desired properties and facilitate the exploration of their vast design space, generative inverse design has emerged as a promising approach. It aims to directly output materials with properties closely aligned with the desired ones using probabilistic generative models conditioned on desired properties, which can be more resource efficient than the traditional trial-and-error approach. However, due to the inherent stochasticity of probabilistic generative models, when element assignments are unconstrained, a large portion of generated materials may be charge unbalanced, and no existing methods can effectively mitigate this limitation. In this work, we propose AMGenC, a new generative inverse design method for amorphous materials that can guarantee the generation of charge balanced samples, with minimal additional computational overhead and without sacrificing inverse design accuracy. AMGenC achieves this through an element noise that gives the generation process a starting point centered around charge balance, and the combination of a per-step soft projection and a final discrete projection for steering the elements toward exact charge balance throughout the generation. We perform extensive experiments on two amorphous materials datasets. Experimental results provide evidence that AMGenC achieves its design goal.

Yan Lin, Jilin Hu, N. M. Anoop Krishnan +1

Department of Computer Science, Aalborg University, Denmark · School of Data Science and Engineering, East China Normal University, China · Department of Civil Engineering, Indian Institute of Technology Delhi, India +2

Materials Science Generative Modeling Conditional Generative Modeling Inverse Design

Apr 29, 2026

Preserving Temporal Dynamics in Time Series Generation

Time-series data augmentation plays a crucial role in regression-oriented forecasting tasks, where limited data restricts the performance of deep learning models. While Generative Adversarial Networks (GANs) have shown promise in synthetic time-series generation, existing approaches primarily focus on matching marginal data distributions and often overlook the temporal dynamics that naturally exist in the original multivariate time series. When generating multivariate time series, this mismatch leads to distribution shift and temporal drift, thereby degrading the fidelity of the synthetic sequences. In this work, we propose a model-agnostic Markov Chain Monte Carlo (MCMC)-based framework to mitigate distribution shift and preserve temporal dynamics in synthetic time series. We provide a theoretical analysis of how conditional generative models accumulate deviations under sequential generation and demonstrate that the MCMC algorithm can correct these discrepancies by enforcing consistency with empirical transition statistics between neighboring time points. Extensive experiments on the Lorenz, Licor, ETTh, and ILI datasets using RCGAN, GCWGAN, TimeGAN, SigCWGAN, and AECGAN demonstrate that the proposed MCMC framework consistently improves autocorrelation alignment, skewness error, kurtosis error, R

^2

, discriminative score, and predictive score. These results suggest that synthetic time series consistent with the original data require explicit preservation of transition laws rather than solely relying on adversarial distribution matching, thereby offering a principled direction for improving generative modeling of time-series data.

Ci Lin, Futong Li, Tet Yeap +1

Time Series Generation Time Series Data Augmentation Conditional Generative Modeling Sequence Modeling

Apr 29, 2026

How to Guide Your Flow: Few-Step Alignment via Flow Map Reward Guidance

In generative modeling, we often wish to produce samples that maximize a user-specified reward such as aesthetic quality or alignment with human preferences, a problem known as guidance. Despite their widespread use, existing guidance methods either require expensive multi-particle, many-step schemes or rely on poorly understood approximations. We reformulate guidance as a deterministic optimal control problem, yielding a hierarchy of algorithms that subsumes existing approaches at the coarsest level. We show that the flow map, an object of significant recent interest for its role in fast inference, arises naturally in the optimal solution. Based on this observation, we propose Flow Map Reward Guidance (FMRG): a training-free, single-trajectory framework that uses the flow map to both integrate and guide the flow. At text-to-image scale, FMRG matches or surpasses baselines across inverse problems and reward-guided generation with as few as 3 NFEs, giving at least an order-of-magnitude speedup in comparison to prior state of the art. Code is available at https://github.com/jrrhuang/fmrg.

Jerry Y. Huang, Justin Lin, Sheel Shah +2

Carnegie Mellon University

Generative Modeling Flow-Based Generative Modeling Conditional Generative Modeling

Apr 29, 2026

AlphaJet: Automated Conceptual Aircraft Synthesis via Disentangled Generative Priors and Topology-Preserving Evolutionary Search

Conceptual aircraft design is traditionally an expert-mediated iterative process in which a human designer proposes a configuration, runs low-order physics, inspects the result, and re-proposes. We present AlphaJet, an end-to-end automated synthesis pipeline that closes this loop. From a textual mission specification (mass, range, cruise speed, hard size envelope, engine count, areal density) AlphaJet evolves a feasible 3D aircraft in real time, scored by a transparent multi-disciplinary fitness function covering aerodynamics, structures, weights, stability, packaging, and geometric mount consistency. Three contributions distinguish our approach: (i) an Anatomically-Disentangled Variational Autoencoder (AD-VAE) whose first 25 latent dimensions are supervised to align with named anatomical parameters, providing an interpretable shape prior; (ii) a topology-elitist genetic algorithm that protects the best individual from each of five tail topologies and triggers stagnation restarts, preventing premature collapse to a single configuration; and (iii) mount-aware geometric scoring that computes signed penetration between engines and other structural parts, eliminating the redundant artifacts common in generative aircraft models. The full loop runs interactively on a CPU and streams every generation to a browser viewer, making it a practical real-world automation tool for early-phase design-space exploration.

Boris Kriuk

Hong Kong University of Science and Technology Clear Water Bay, Hong Kong, HKSAR

Variational Autoencoders 3D Shape Generation Conditional Generative Modeling Genetic Algorithms

Apr 28, 2026

FlowS: One-Step Motion Prediction via Local Transport Conditioning

Generative motion prediction must satisfy three simultaneous requirements for real-world autonomy: high accuracy, diverse multimodal futures, and strictly bounded latency. Diffusion models meet the first two but violate the third, requiring tens to hundreds of denoising steps. We identify a conditioning strategy that resolves this tension: single-step integration is accurate when the underlying transport problem is local. A model that must both discover the correct behavioral mode and traverse a long displacement in one step accumulates large discretization errors; conditioning the base distribution to lie near plausible futures reduces the problem to short-range refinement, the regime where a single Euler step suffices. We instantiate this local transport conditioning in FlowS, a conditional flow matching framework with two mechanisms. First, an online, scene-conditioned learned prior emits

K

calibrated anchor trajectories per agent, each already near a plausible future, converting mode discovery into local correction. Second, a step-consistent displacement field enforces semigroup self-consistency, guaranteeing that a single step inherits multi-step accuracy. Crucially, anchoring this field at learned priors along straight-line paths yields a {stable, low-variance} training target, unlike prior self-consistency methods that suffer from {high-variance bootstrap} signals on curved diffusion paths. On the Waymo Open Motion Dataset, FlowS achieves state-of-the-art Soft mAP {(0.4804) and mAP (0.4703) with ensemble at 75,FPS} with single-step inference, demonstrating that local transport conditioning makes one-step generative motion prediction practical for safety-critical autonomy. Code and pretrained models will be released upon acceptance.

Leandro Di Bella, Adrian Munteanu, Bruno Cornelis

Department of Electronics and Informatics, Vrije Universiteit Brussel, Pleinlaan 2, B-1050 Brussels, Belgium · IMEC, Kapeldreef 75, B-3001 Leuven, Belgium

Flow Matching Trajectory Generation Multi-Agent Trajectory Prediction Autonomous Driving Perception One-Step Generative Modeling Flow-Based Generative Modeling+2

Apr 28, 2026

PhyloSDF: Phylogenetically-Conditioned Neural Generation of 3D Skull Morphology via Residual Flow Matching

Generating novel, biologically plausible three-dimensional morphological structures is a fundamental challenge in computational evolutionary biology, hampered by extreme data scarcity and the requirement that generated shapes respect phylogenetic relationships among species. In this work, we present PhyloSDF, a phylogenetically-conditioned neural generative model for 3D biological morphology that integrates two innovations: (1) a DeepSDF auto-decoder regularized by a novel Phylogenetic Consistency Loss that structures the latent space to correlate with evolutionary distances (Pearson r=0.993); (2) a Residual Conditional Flow Matching (Residual CFM) architecture that factorizes generation into analytic species-centroid lookup and learned residual prediction, enabling generation from as few as ~4 specimens per species. We evaluate PhyloSDF on 100 micro-CT-scanned skulls of Darwin's Finches and their relatives across 24 species. The model generates novel meshes achieving 88-129% of real intra-species variation at the code level, with all 180 generated meshes verified as non-memorized. Residual CFM surpasses denoising diffusion (which fails entirely at this scale), standard flow matching (which mode-collapses to 3-6% variation), and a Gaussian mixture baseline in both fidelity (Chamfer Distance 0.00181 vs. 0.00190) and morphometric Fréchet distance (10,641 vs. 13,322). Leave-one-species-out experiments across 18 species demonstrate phylogenetic extrapolation capability, and smooth latent interpolations produce biologically plausible ancestral skull reconstructions.

Kaikwan Lau, Gary P. T. Choi

Department of Mathematics The Chinese University of Hong Kong

Flow Matching 3D Mesh Generation 3D Shape Generation Conditional Generative Modeling

Apr 28, 2026

IAM: Identity-Aware Human Motion and Shape Joint Generation

Recent advances in text-driven human motion generation enable models to synthesize realistic motion sequences from natural language descriptions. However, most existing approaches assume identity-neutral motion and generate movements using a canonical body representation, ignoring the strong influence of body morphology on motion dynamics. In practice, attributes such as body proportions, mass distribution, and age significantly affect how actions are performed, and neglecting this coupling often leads to physically inconsistent motions. We propose an identity-aware motion generation framework that explicitly models the relationship between body morphology and motion dynamics. Instead of relying on explicit geometric measurements, identity is represented using multimodal signals, including natural language descriptions and visual cues. We further introduce a joint motion-shape generation paradigm that simultaneously synthesizes motion sequences and body shape parameters, allowing identity cues to directly modulate motion dynamics. Extensive experiments on motion capture datasets and large-scale in-the-wild videos demonstrate improved motion realism and motion-identity consistency while maintaining high motion quality. Project page: https://vjwq.github.io/IAM

Wenqi Jia, Zekun Li, Abhay Mittal +6

UIUC · Meta Reality Labs · Brown University

Text-to-Motion Generation Human Motion Generation 3D Shape Generation Conditional Generative Modeling Human Motion Understanding

Apr 26, 2026

Identity-Decoupled Anonymization for Visual Evidence in Multi-modal Retrieval-Augmented Generation

Multi-modal retrieval-augmented generation (MRAG) systems retrieve visual evidence from large image corpora to ground the responses of large multi-modal models, yet the retrieved images frequently contain human faces whose identities constitute sensitive personal information. Existing anonymization techniques that destroy the non-identity visual cues that downstream reasoning depends on or fail to provide principled privacy guarantees. We propose Identity-Decoupled MRAG, a framework that interposes a generative anonymization module between retrieval and generation. Our approach consists of three components: (i)a disentangled variational encoder that factorizes each face into an identity code and a spatially-structured attribute code, regularized by a mutual-information penalty and a gradient-based independence term; (ii)a manifold-aware rejection sampler that replaces the identity code with a synthetic one guaranteed to be both distinct from the original and realistic; and (iii)a conditional latent diffusion generator that synthesizes the anonymized face from the replacement identity and the preserved attributes, distilled into a latent consistency model for low-latency deployment. Privacy is enforced through a multi-oracle ensemble of face recognition models with a hinge-based loss that halts optimization once identity similarity drops below the impostor-regime threshold.

Zehua Cheng, Wei Dai, Jiahao Sun

Department of Computer Science · University of Oxford,, UK · FLock.io, London, UK

Multimodal RAG Privacy-Preserving ML Conditional Generative Modeling

Apr 24, 2026

Generative Modeling of Neurodegenerative Brain Anatomy with 4D Longitudinal Diffusion Model

Understanding and predicting the progression of neurodegenerative diseases remains a major challenge in medical AI, with significant implications for early diagnosis, disease monitoring, and treatment planning. However, most available longitudinal neuroimaging datasets are temporally sparse with a few follow-up scans per subject. This scarcity of temporal data limits our ability to model and accurately capture the continuous anatomical changes related to disease progression in individual subjects. To address this problem, we propose a novel 4D (3DxT) diffusion-based generative framework that effectively models and synthesizes longitudinal brain anatomy over time, conditioned on available clinical variables such as health status, age, sex, and other relevant factors. Moreover, while most current approaches focus on manipulating image intensity or texture, our method explicitly learns the data distribution of topology-preserving spatiotemporal deformations to effectively capture the geometric changes of brain structures over time. This design enables the realistic generation of future anatomical states and the reconstruction of anatomically consistent disease trajectories, providing a more faithful representation of longitudinal brain changes. We validate our model through both synthetic sequence generation and downstream longitudinal disease classification, as well as brain segmentation. Experiments on two large-scale longitudinal neuroimage datasets demonstrate that our method outperforms state-of-the-art baselines in generating anatomically accurate, temporally consistent, and clinically meaningful brain trajectories. Our code is available on Github.

Nivetha Jayakumar, Swakshar Deb, Bahram Jafrasteh +2

Department of Electrical and Computer Engineering, University of Virginia, Charlottesville, 22903, VA, USA · Department of Radiology, Weill Cornell Medical College, Cornell University, Ithaca, 14850, NY, USA · Department of Electrical and Computer Engineering, Department of Computer Science, University of Virginia, Charlottesville, 22903, VA, USA

Longitudinal Medical Image Analysis Medical Image Synthesis Neuroimaging Conditional Generative Modeling Diffusion Models

Apr 24, 2026

AI-Driven Performance-to-Design Generation and Optimization of Marine Propellers

AI is increasingly used to accelerate engineering design by improving decision-making and shortening iteration cycles. Application to marine propeller design, however, remains challenging due to scarce training data and the lack of widely available pretrained models. We address this gap with a physics-based data generation pipeline and a generative-AI framework for direct performance-to-design generation tailored to marine propellers. First, we build a database of over 20,000 four- and five-bladed propeller geometries, each accompanied by simulated open-water performance curves. On top of this dataset, we develop a three-module design framework: (1) A Conditional Generation Model that proposes candidate geometries conditioned on design specifications such as target thrust, power, and diameter. (2) A Performance Prediction Model, implemented as a neural-network surrogate, that predicts thrust, torque, and efficiency in milliseconds, enabling rapid evaluation of generated designs. (3) A design refinement stage that applies evolutionary optimization to enforce practical constraints such as required thrust under power limits and bounds on blade-area ratio and thickness. Experimental results over a range of operating conditions show that the framework can generate hydrodynamically plausible propeller designs that match prescribed performance targets while substantially reducing design-iteration time relative to the traditional expert-guided refinement. Latent diffusion-based generator produces more diverse designs under the same conditions than the conditional variational autoencoder, suggesting a stronger capacity for design-space exploration with diffusion models. By coupling physics-based data synthesis with modular AI models, the proposed approach streamlines the propeller design cycle and reduces reliance on expensive high-fidelity simulations to final validation stages.

Leah Chen, Keni Chih-Hua Wu, Boon Tat Chia +2

Mencast Marine, Singapore · of High Performance Computing, Agency for Science, Technology and Research, Singapore

Conditional Generative Modeling Inverse Design

Apr 22, 2026

Materialistic RIR: Material Conditioned Realistic RIR Generation

Rings like gold, thuds like wood! The sound we hear in a scene is shaped not only by the spatial layout of the environment but also by the materials of the objects and surfaces within it. For instance, a room with wooden walls will produce a different acoustic experience from a room with the same spatial layout but concrete walls. Accurately modeling these effects is essential for applications such as virtual reality, robotics, architectural design, and audio engineering. Yet, existing methods for acoustic modeling often entangle spatial and material influences in correlated representations, which limits user control and reduces the realism of the generated acoustics. In this work, we present a novel approach for material-controlled Room Impulse Response (RIR) generation that explicitly disentangles the effects of spatial and material cues in a scene. Our approach models the RIR using two modules: a spatial module that captures the influence of the spatial layout of the scene, and a material module that modulates this spatial RIR according to a user-specified material configuration. This explicitly disentangled design allows users to easily modify the material configuration of a scene and observe its impact on acoustics without altering the spatial structure or scene content. Our model provides significant improvements over prior approaches on both acoustic-based metrics (up to +16% on RTE) and material-based metrics (up to +70%). Furthermore, through a human perceptual study, we demonstrate the improved realism and material sensitivity of our model compared to the strongest baselines.

Mahnoor Fatima Saad, Sagnik Majumder, Kristen Grauman +1

University of Utah · UT Austin

Generative Modeling Conditional Generative Modeling Audio Generation Room Acoustics

Apr 22, 2026

A Wasserstein GAN-based climate scenario generator for risk management and insurance: the case of soil subsidence

According to the United Nations Office for Disaster Risk Reduction (2025), the average annual cost of natural catastrophes increased from 70--80 billion USD between 1970 and 2000 to 180--200 billion USD between 2001 and 2020. Reports from organizations such as the IFOA and the WWF highlight the need for the insurance sector to adapt to this rapidly evolving context by developing medium- to long-term strategies that go beyond the one-year horizon of prudential regulations such as Solvency II. This paper introduces an artificial intelligence framework based on Conditional Generative Adversarial Networks (Conditional GANs) to generate future spatio-temporal trajectories of climatic indices. The approach focuses on the Soil Wetness Index (SWI), a key indicator used in France to assess drought severity. Drought accounts for approximately 30% of the indemnities paid under the French natural catastrophe insurance scheme. The proposed model, SwiGAN, simulates plausible drought propagation patterns up to 2050 for a region of France particularly exposed to this hazard. By generating realistic sequences of SWI maps, SwiGAN provides insights into drought dynamics under climate change scenarios and supports the design of adaptive risk management and insurance strategies. The methodology is also generalizable to other climate-related perils and actuarial applications such as economic scenario generation.

Antoine Heranval, Olivier Lopez, Didier Ngatcha +1

BioSP · Biostatistiques et Processus Spatiaux (BioSP), INRAE, Avignon, France · CREST +3

Financial Services Time Series Forecasting Conditional Generative Modeling Generative Adversarial Networks

Apr 22, 2026

Generative Augmentation of Imbalanced Flight Records for Flight Diversion Prediction: A Multi-objective Optimisation Framework

Flight diversions are rare but high-impact events in aviation, making their reliable prediction vital for both safety and operational efficiency. However, their scarcity in historical records impedes the training of machine learning models utilised to predict them. This study addresses this scarcity gap by investigating how generative models can augment historical flight data with synthetic diversion records to enhance model training and improve predictive accuracy. We propose a multi-objective optimisation framework coupled with automated hyperparameter search to identify optimal configurations for three deep generative models: Tabular Variational Autoencoder (TVAE), Conditional Tabular Generative Adversarial Network (CTGAN), and CopulaGAN, with the Gaussian Copula (GC) model serving as a statistical baseline. The quality of the synthetic data was examined through a six-stage evaluation framework encompassing realism, diversity, operational validity, statistical similarity, fidelity, and predictive utility. Results show that the optimised models significantly outperform their non-optimised counterparts, and that synthetic augmentation substantially improves diversion prediction compared to models trained solely on real data. These findings demonstrate the effectiveness of hyperparameter-optimised generative models for advancing predictive modelling of rare events in air transportation.

Karim Aly, Alexei Sharpanskykh, Jacco Hoekstra

Control and Operations, Faculty of Aerospace Engineering, Delft University of Technology (TU Delft), Kluyverweg 1, Delft, 2629 HS, South Holland, Netherlands

Synthetic Data Augmentation Synthetic Data Generation Conditional Generative Modeling

Apr 21, 2026

CrackForward: Context-Aware Severity Stage Crack Synthesis for Data Augmentation

Reliable crack detection and segmentation are vital for structural health monitoring, yet the scarcity of well-annotated data constitutes a major challenge. To address this limitation, we propose a novel context-aware generative framework designed to synthesize realistic crack growth patterns for data augmentation. Unlike existing methods that primarily manipulate textures or background content, CrackForward explicitly models crack morphology by combining directional crack elongation with learned thickening and branching. Our framework integrates two key innovations: (i) a contextually guided crack expansion module, which uses local directional cues and adaptive random walk to simulate realistic propagation paths; and (ii) a two-stage U-Net-style generator that learns to reproduce spatially varying crack characteristics such as thickness, branching, and growth. Experimental results show that the generated samples preserve target-stage saturation and thickness characteristics and improve the performance of several crack segmentation architectures. These results indicate that structure-aware synthetic crack generation can provide more informative training data than conventional augmentation alone.

Nassim Sadallah, Mohand Saïd Allili

LARIVIA Lab, Department of Computer Science and Engineering · Gatineau, QC, Canada

Synthetic Data Augmentation Image Generation Conditional Generative Modeling Crack Segmentation

Apr 21, 2026

Structure-guided molecular design with contrastive 3D protein-ligand learning

Structure-based drug discovery faces the dual challenge of accurately capturing 3D protein-ligand interactions while navigating ultra-large chemical spaces to identify synthetically accessible candidates. In this work, we present a unified framework that addresses these challenges by combining contrastive 3D structure encoding with autoregressive molecular generation conditioned on commercial compound spaces. First, we introduce an SE(3)-equivariant transformer that encodes ligand and pocket structures into a shared embedding space via contrastive learning, achieving competitive results in zero-shot virtual screening. Second, we integrate these embeddings into a multimodal Chemical Language Model (MCLM). The model generates target-specific molecules conditioned on either pocket or ligand structures, with a learned dataset token that steers the output toward targeted chemical spaces, yielding candidates with favorable predicted binding properties across diverse targets.

Carles Navarro, Philipp Tholke, Gianni de Fabritiis

Acellera Labs, C/ Doctor Trueta 183, 08005 Barcelona, Spain · Computational Science Laboratory, Universitat Pompeu Fabra, PRBB, C/ Doctor Aiguader 88, 08003 Barcelona, Spain · Instituci´o Catalana de Recerca i Estudis Avan¸cats (ICREA), Passeig Llu´ıs Companys 23, 08010 Barcelona, Spain

Contrastive Learning Virtual Screening Structure-Based Drug Design 3D Molecular Generation 3D Representation Learning Molecular Generation+2

Apr 21, 2026

On the Conditioning Consistency Gap in Conditional Neural Processes

Neural processes are meta-learning models that map context sets to predictive distributions. While inspired by stochastic processes, NPs do not generally satisfy the Kolmogorov consistency conditions required to define a valid stochastic process. This inconsistency is widely acknowledged but poorly understood. Practitioners note that NPs work well despite the violation, without quantifying what this means. We address this gap by defining the conditioning consistency gap, a KL divergence measuring how much a conditional neural process's (CNP) predictions change when a point is added to the context versus conditioned upon. Our main results show that for CNPs with bounded encoders and Lipschitz decoders, the consistency gap is

O(1/n^2)

in context size

n

, and that this rate is tight. These bounds establish the precise sense in which CNPs approximate valid stochastic processes. The inconsistency is negligible for moderate context sizes but can be significant in the few-shot regime.

Robin Young

Department of Computer Science and Technology University of Cambridge

Neural Processes Conditional Generative Modeling

Apr 20, 2026

An Integrated Deep-Learning Framework for Peptide-Protein Interaction Prediction and Target-Conditioned Peptide Generation with ConGA-PepPI and TC-PepGen

Motivation: Peptide-protein interactions (PepPIs) are central to cellular regulation and peptide therapeutics, but experimental characterization remains too slow for large-scale screening. Existing methods usually emphasize either interaction prediction or peptide generation, leaving candidate prioritization, residue-level interpretation, and target-conditioned expansion insufficiently integrated. Results: We present an integrated framework for early-stage peptide screening that combines a partner-aware prediction and localization model (ConGA-PepPI) with a target-conditioned generative model (TC-PepGen). ConGA-PepPI uses asymmetric encoding, bidirectional cross-attention, and progressive transfer from pair prediction to binding-site localization, while TC-PepGen preserves target information throughout autoregressive decoding via layerwise conditioning. In five-fold cross-validation, ConGA-PepPI achieved 0.839 accuracy and 0.921 AUROC, with binding-site AUPR values of 0.601 on the protein side and 0.950 on the peptide side, and remained competitive on external benchmarks. Under a controlled length-conditioned benchmark, 40.39% of TC-PepGen peptides exceeded native templates in AlphaFold 3 ipTM, and unconstrained generation retained evidence of target-conditioned signal.

Chupei Tang, Junxiao Kong, Moyu Tang +5

School of Mathematics and Statistics, Lanzhou University, 222 South Tianshui Road, Lanzhou 730000, Gansu, China · Cuiying Honors College, Lanzhou University, Lanzhou, Gansu, China · Shanghai Innovation Institute, Shanghai, China +1

Molecular Generation Conditional Generative Modeling