Conditional Generative Modeling

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29 papers in the last four weeks, up 142% on the four weeks before. 0.3% of all new papers.

Jul 13Week of Sep 28

Latest papers 258

Aug 2, 2026cs.AI

PolymerGPT: Multi-property Optimization with a Decoder-Based GPT Model for Generative Polymer Design

Polymer property prediction and inverse generative design targeting desired properties are two crucial tasks in machine learning-assisted polymer design. While the former has received considerable attention, there have been limited methods developed for the latter. Existing methods focus on single-property optimization in the generative process, whereas accurate prediction of macroscopic material behavior requires simultaneous control of multiple physical properties. In this paper, we provide a transformative framework for direct optimization of a large collection of polymer properties. We propose PolymerGPT, a decoder-based GPT model that incorporates up to 37 commonly used polymer properties into the generative process via learned conditioning prefixes. It also supports a scaffold condition that specifies a desired scaffold for predicted structures. Our experimental results demonstrate that PolymerGPT achieves exceptional performance for unconditional and conditional generation while maintaining high validity, uniqueness, and novelty. Conditioning on five key properties yields generated structures whose predicted values closely match all target properties simultaneously.

Charlie Pyle, Adarsh Gadari, C. Adrian Figg +3

Texas A&M University · University of Pittsburgh · Department of Chemistry, Virginia Tech +2

Molecular Optimization Molecular Generation Conditional Generative Modeling

Aug 2, 2026cs.LG

Fused Bayesian Flow Networks for Dual-Target Molecular Design

Dual-target drug design aims to generate 3D molecules that can simultaneously interact with two target proteins, offering a promising route for discovering polypharmacological compounds against complex diseases. While recent generative models have shown encouraging performance in single-target drug design, existing dual-target approaches either focus on sequence generation or introduce an additional predictive drift term into the diffusion-based generative trajectory, which limits their ability to fully integrate feature information from both targets. We propose FusedBFN, a fused Bayesian flow network (BFN) for dual-target molecular design. FusedBFN formulates dual-target generation as distribution fusion in a unified continuous parameter space and employs a product-of-experts formulation to incorporate dual-target information throughout the generative process. To address the scarcity of dual-target structural data, we leverage a pretrained target-aware BFN model as the shared backbone. We further introduce a chemically aware prior-based alignment method and a prior-free pocket alignment strategy to construct aligned dual-target contexts. Extensive experiments demonstrate that FusedBFN generates molecules with strong binding affinity toward dual targets while maintaining favorable molecular properties.

Jingyuan Zhou, Shikui Tu, Lei Xu

School of Computer Science, Shanghai Jiao Tong University · Guangdong Laboratory of Artificial Intelligence and Digital Economy (SZ)

Structure-Based Drug Design Molecular Generation Conditional Generative Modeling Drug Discovery

Jul 31, 2026cs.LG

UniPolymer: A Unified Framework for Property Prediction, Structure Recommendation, and Evaluation in Polyimide Design

Designing polyimide structures with specific glass transition temperatures (Tg) is highly challenging. Existing methods primarily focus on target-conditioned generation, lacking an assessment of the consistency between the generated structure and the target properties. This leads to low-quality candidates deviating from the design objective entering subsequent processes, increasing invalid experiments and prolonging the development cycle. To address this issue, we propose UniPolymer, a unified framework for property prediction, target-conditioned generation, candidate evaluation, and structure recommendation in polyimide design and a dataset containing 10066 deduplicated polyimide repeating units with Tg tags (PITg-Curated) was constructed. To improve the consistency between generated candidate structures and the target Tg, UniPolymer first establishes a reliable structure-property relationship mapping through self-supervised chemical semantic learning, structural consistency enhancement, and multi-scale information fusion. Subsequently, the model employs a continuous-discrete joint Tg representation to guide the autoregressive generation of SELFIES. The generated candidate structures are further evaluated using a frozen property predictor and polyimide-specific structural constraints, and ranked according to their deviation from the target Tg, thereby preventing structures deviating from the target from entering the subsequent validation stage. Experimental results show that UniPolymer achieved a property prediction accuracy of R^2=0.93 and a candidate structure evaluation pass rate of 73.79%, which are 2% and 1.21% higher than the best baseline, respectively. Meanwhile, the predicted Tg values of the recommended candidates are in high agreement with the results of molecular dynamics simulations, thereby reducing the number of candidates that enter the high-cost experimental stage.

Junquan Hu, Zhihui Wang, Peng Xu +4

School of Software Dalian University of Technology Dalian, China · Department of Information Engineering The Chinese University of Hong Kong Hong Kong SAR, China

Materials Science Molecular Property Prediction Conditional Generative Modeling

Jul 31, 2026cs.LG

StraightDP: Geometry-Aware Differential Privacy for Rectified-Flow Transformers

Differentially private (DP) training of text-conditioned generative models suffers a utility cliff at strong privacy. We revisit this problem through the geometry of rectified flows: along the straight interpolation between noise and data, the Bayes-optimal velocity is governed to leading order at the noise end by a few class-conditional moments, and increasingly sample-specific structure matters toward the data end. StraightDP exploits this heterogeneity end to end. A small budget share releases whitened class-conditional moments once, to be distilled into the weights or injected at sampling time. The rest is spent by pre-declared DP-SGD toward the data end, beyond the moments' reach. At

\varepsilon=1

on MNIST, the released moments alone already attain

0.76

downstream accuracy with prototype-like samples and an FID of

237

, and uniform DP-SGD attains

0.21

. The pipeline built on the release reaches

0.81

accuracy at FID

56

in a public latent space. Constraining per-token stream norms of the multimodal backbone leaves the pretraining loss unchanged yet improves downstream accuracy in the extreme-noise pixel-space regime, and its accuracy effect becomes monotonically more favorable as privacy strengthens. The released moments also port to frozen SD3-medium, where sampling-time injection beats DP-LoRA training at a fraction of the budget.

Xujun Che, Depeng Xu, Xintao Wu

Department of Cybersecurity, University of North Carolina at Charlotte, Charlotte, NC, USA · Department of Electrical Engineering and Computer Science, University of Arkansas, Fayetteville, AR, USA

Diffusion Transformer Differentially Private Stochastic Gradient Descent Rectified Flow Privacy-Preserving ML Differential Privacy Flow-Based Generative Modeling+1

Jul 29, 2026cs.LG

Context-Informed Ship Trajectory Prediction via Conditional Attention

Long-term ship trajectory prediction is a fundamental capability for maritime safety and autonomous navigation. While recent Transformer-based architectures have improved forecasting horizons, they predominantly rely on historical kinematic states, treating vessel motion as an isolated system. In reality, maritime navigation is profoundly modulated by extrinsic factors like weather and constrained by static vessel characteristics. Existing multimodal approaches fundamentally model the joint distribution over states and contexts, treating environmental variables as peer features rather than encoding the directional physical dependence of vessel dynamics on environmental conditions. In this work, we propose the Conditional Informer, a novel encoder-decoder architecture that formulates trajectory prediction as a conditional generation task. We employ a dedicated Conditional Attention mechanism where the vessel state explicitly queries environmental contexts through cross-attention, encoding the physical prior that weather modulates - but is not generated by - vessel dynamics. Furthermore, to address the intermittency of real-world data, we introduce a Modality Masking training strategy to prevent catastrophic degradation during sensor fallback. Extensive experiments on AIS and ERA5 data demonstrate that our approach outperforms kinematic and concatenation-based baselines by 15.4% in prediction accuracy when context is available. Crucially, Modality Masking prevents shortcut learning, reducing fallback error by nearly an order of magnitude compared to unconstrained models.

Yuan Guan, Chandler Squires, Timothy Hu +1

Machine Learning Department, Carnegie Mellon University · Advanced Technology Laboratories Lockheed Martin

Cross-Attention Vessel Trajectory Prediction Conditional Generative Modeling Trajectory Prediction

Jul 28, 2026cs.CV

Schrödinger's Cat: Probabilistic Representation and Prediction of Potential Scene Kinematics

Predicting how a scene may evolve from partial observations requires reasoning about multiple possible futures rather than committing to a single trajectory. Existing approaches either generate appearance-dominated video predictions or sample a small number of trajectories without explicitly modeling the distribution of possible motion. We introduce Goal-Aware Representations of Future kInEmatic Latent Distributions (GARFIELD), a probabilistic model of scene kinematics that learns a structured spatio-temporal latent representation of the distribution over possible futures given an image and optional spatio-temporally sparse constraints. The same latent representation enables both joint sampling of all trajectories and direct access to the underlying motion distribution through an efficient deterministic density decoder. As a result, uncertainty about future motion can be localized to specific scene elements and timesteps and progressively refined through additional constraints. Experiments demonstrate strong motion planning performance competitive with large video generation models while sampling trajectories

97\times

faster. Our method further estimates motion densities two orders of magnitude faster than Monte-Carlo sampling from motion generation models, enabling interactive exploration and uncertainty-aware planning.

Timy Phan, Jannik Wiese, Björn Ommer

Predictive Representation Learning Motion Planning Conditional Generative Modeling

Jul 28, 2026cs.LG

From Deterministic to Generative Deep Learning for Urban Air Quality Reconstruction from Sparse Observations

Full-field reconstruction of air pollution is essential for evaluating pollution exposure and supporting public health decision-making. However, the complex interactions among pollutants, hard-to-predict weather patterns, and limited monitoring station coverage make this a complex task. We apply deep learning techniques to provide fast and accurate reconstructions from sparse observations of four key pollutants: NO2, O3, PM2.5 and PM10. Models are trained on full-field simulation data and evaluated on real-world observations collected from 9 to 28 monitoring stations in the city of Paris. We introduce a diffusion-based generative framework for multi-pollutant reconstruction and benchmark its performance against deterministic deep learning models. Despite noisy observations and strong spatial variability, the models achieve high structural similarity on simulated validation data and produce realistic spatial patterns on real-world observations, as indicated by power-spectrum analysis. We introduce data augmentation methods that enable transfer to real-world observations without retraining, allowing the models to generalise beyond the training period. These findings highlight the potential of ML models for reliable real-world deployment in air pollution reconstruction tasks.

Abhishek A. Sabnis, Mihai Mitrea, Lya Lugon +5

CEREA, ENPC, Institut Polytechnique de Paris, Île-de-France, France. · Department of Computing, Imperial College London, London, UK. · Dynamic Systems Lab, University College London, London, UK. +1

Conditional Generative Modeling Inverse Problems Diffusion Models

Jul 27, 2026cs.LG

Physics-Guided Generative AI for Property-Targeted 3D Porous Media Design

Inverse design of three-dimensional porous media is central to applications in filtration, catalysis, energy storage, fuel cells, thermal management, and biomedical scaffolds, but remains challenging because many distinct pore geometries can share similar porosity or permeability while small structural changes can strongly affect transport behaviour. This paper proposes a physics-guided generative AI framework for property-targeted porous media design, combining a property-aware variational autoencoder, a conditional latent diffusion model, and an independently trained differentiable structure-to-property surrogate. The framework learns a compact, physically informative latent design space, generates porous structures conditioned on target porosity and directional permeability, and refines generated samples using property-level feedback during denoising and decoding. Experiments on procedurally generated structures and real micro-CT porous-media datasets show improved target-property matching, directional permeability control, and property correlation compared with representative property-aware variational-autoencoder and latent-diffusion baselines. The results demonstrate a scalable route towards controllable inverse design of complex porous geometries and establish a foundation for simulation-informed generative AI tools in engineering and advanced materials discovery.

Peng Wang

Centre for Vision, Speech and Signal Processing (CVSSP), University of Surrey, Guildford, UK

Generative Modeling Conditional Generative Modeling 3D Diffusion Models Inverse Design

Jul 27, 2026cs.LG

Joint Flow Matching for Generator-Consistent Classification

We introduce Joint Flow Matching (JFM), a training framework for continuous normalising flows over multiple variables. Standard flow matching transports variables from noise to data simultaneously, offering no natural mechanism for forward and reverse conditional inference from a shared joint model. JFM resolves this by assigning opposite roles to each variable at the temporal endpoints. We prove that JFM produces a consistent joint distribution where that forward or reverse integration are conditionals of the same joint. We explore this consistency in the context of joint classification and generation as the basis for interpretability in discriminative-generative models. We validate JFM on conditional datasets producing competitive accuracy with inherently well-calibrated confidence scores without post-hoc calibration, and classifier-consistent image generation.

Hayden McAlister, Lech Szymanski

School of Computing University of Otago Dunedin, New Zealand

Flow Matching Continuous Normalizing Flows Flow-Based Generative Modeling Conditional Generative Modeling

Jul 26, 2026cs.LG

MS-GPT: Rethinking MS/MS De Novo Structure Elucidation as Spectrum-Induced Posterior Querying of a Molecule-Language Model

Molecular structure elucidation from tandem mass spectra (MS/MS) is a central inverse problem in analytical chemistry. Most existing approaches to MS/MS identification remain tied to reference libraries or predefined candidate sets, whereas de novo methods aim to generate structures directly from spectra. A common de novo route predicts a molecular fingerprint from the spectrum and then decodes structures from it, enabling decoder pretraining on large molecule-only corpora. However, this paradigm creates a training-inference mismatch: the decoder is trained on oracle fingerprints computed from molecules, but at inference it is queried with a noisy spectrum-induced fingerprint posterior that is typically collapsed to a single thresholded fingerprint. We introduce MS-GPT, which recasts fingerprint-mediated de novo elucidation as spectrum-induced posterior querying of a conditional molecule-language model. MS-GPT conditions a molecule-language model on fingerprints and formulas, then converts the spectrum-induced posterior into a band of fingerprint queries near the oracle-fingerprint manifold through active-bit density calibration. Candidates sampled across this band are pooled and ranked by generation-frequency consensus. A lightweight LoRA adapter further mitigates domain-specific posterior bias while preserving the pretrained molecular prior. On NPLIB1 and MassSpecGym, MS-GPT sets a new state of the art, reaching Top-1/Top-10 exact-match accuracy of 29.8%/41.1% and 23.9%/28.7%, respectively. Candidate-pool scaling shows that efficient autoregressive molecular generation continues to improve recall with a little additional inference cost. The source code and model checkpoints are available at https://github.com/VIKI623/MS-GPT.

Xin Zhao, Yumin Liu, Zhuo Li +5

Language Modeling Molecular Generation Mass Spectrometry Conditional Generative Modeling

Jul 26, 2026cs.LG

Chamaileon: Cross-Context Binder Design with Contextualized Modeling and Mixed Sampling

The rapid evolution of generative models has unlocked new potentials in protein binder design, a pivotal task in structural biology, by facilitating end-to-end generation via joint sequence-structure modeling or hallucination. However, existing approaches are predominantly implemented under a single-target, single-state assumption, limiting their ability to model multi-target or multi-state interactions required for advanced function-oriented protein design. Here, we introduce Chamaileon, which unifies multi-target and multi-state binder design by formulating the problem as cross-context binding landscape modeling. The framework is underpinned by a training paradigm termed In-Context Complex Co-Design (I3CD) for context-aware sequence-structure co-modeling. During inference, we employ Mixture-of-Paths Sampling (MoPS), a scalable strategy that optimizes a single sequence across contexts while alleviating the scarcity of high-quality multi-conformational paired data. Extensive evaluation on our newly constructed benchmark, CROSS, demonstrates that Chamaileon effectively generates sequences adaptable to diverse conformational landscapes and multi-target requirements. The code is available on https://github.com/caohengyuan/Chamaileon.

Hengyuan Cao, Shizhuo Cheng, Mingxuan Liu +5

Zhejiang University, Hangzhou, China · Fudan University, Shanghai, China · Shanghai Institute for Advanced Study Zhejiang University, Shanghai, China +1

Molecular Generation Protein Design Conditional Generative Modeling Protein Binder Design

Jul 25, 2026cs.CV

Fashion-3DLR: A Controllable 3D Garment Generation Using Pairwise Fashion Elements for Intelligent Design

AI-generated content (AIGC) has made significant progress, with 2D generative models becoming ready-to-use tools for the digital fashion industry. However, 3D garment generation remains in its nascent stage, where in the realm of fashion, the semantic information of diverse design elements exhibits intricate coupling relationships in 3D representations, posing substantial challenges for generating diverse 3D garments. In this work, to handle the above problem, We introduce Fashion-3DLR, a novel 3D garment generation framework that utilizes diverse design elements to create high-quality, versatile 3D garment assets. Specifically, to bridge the semantic gaps between different fashion elements, we propose a Garment Feature Fusion Diffusion Transformer (GFF-DiT) module to integrate 2D fashion design elements, e.g., sketch and texture, into latent space. Within the latent space, we then employ a rectified flow transformer to generate geometry latents, which can be decoded into various 3D garment representations, including 3D Gaussians and meshes. Furthermore, we integrate Fashion-3DLR into downstream tasks, achieving the 3D Gaussian Splatting (3DGS)-driven cloth physical simulation and mesh-based virtual try-on. Experimental results indicate that Fashion-3DLR surpass the previous state-of-the-art methods, which verify that the proposed work can generate well-structured, non-watertight garments capable of physical simulation and virtual try-on, underscoring its potential as a versatile 3D garment design tool.

Shenghao Yang, Hongtao Zhang, Yuhan Yi +6

Donghua University Shanghai, China · Shanghai Artificial Intelligence Laboratory Shanghai, China

3D Asset Generation Conditional Generative Modeling

Jul 25, 2026eess.SP

Not All EEG Moments Are Equal: Position-Adaptive Time Scheduling for EEG Generation

Electroencephalography (EEG) generation is essential for alleviating data scarcity and enabling large scale neural modeling in brain computer interface applications. However, existing flow based approaches assume that every channel and every time segment within a sample shares a single global time progression, overlooking the fact that not all EEG moments are equal. To address this overlooked heterogeneity, we propose an adaptive EEG generation framework built on conditional flow matching. The framework introduces Position-Adaptive Time Scheduling, which tracks per position reconstruction error to modulate a position specific time progress within the flow matching trajectory. It further incorporates Factorized Spatio-Temporal Attention and a frequency aligned multi resolution spectral consistency loss to model inter channel dependencies induced by volume conduction and compensate for the power law spectral bias of EEG, thereby improving the quality of generated signals. Extensive experiments on three EEG datasets with distinct acquisition protocols and task semantics show that our framework consistently outperforms the strongest baseline, reducing TS-FID by up to 62.2% and improving downstream classification accuracy gain by up to 6.77 percentage points. These results suggest that the proposed method represents a promising step toward scalable, high fidelity data augmentation for real world brain computer interface applications.

Boheng Liu, Ziyu Li, Chenghua Duan +2

School of Computer Science and Technology Beijing Institute of Technology Beijing, China

Brain-Computer Interfaces Time Series Generation Time Series Data Augmentation Conditional Generative Modeling

Jul 23, 2026cs.LG

M $^3$ -Gen: Interpretable Multimodal Generation of Gene Expression Profiles Using Clinical and Imaging Data

Integrating heterogeneous biomedical data, including clinical metadata, histopathology images, and molecular profiles, is crucial for comprehensive disease understanding. However, gene expression data acquisition remains constrained by high costs and privacy concerns, limiting its use in multimodal research and AI-driven applications. We present MultiModal Molecular Generation (M

^3

-Gen), a novel framework for the generation of gene expression profiles by conditioning a Generative Adversarial Network on histopathology images and clinical metadata. M

^3

-Gen learns a unified latent representation from the clinical variables and the images, leveraging contrastive learning, and exploits the embeddings of the two modalities to guide a generative model in producing biologically coherent gene expression profiles. Evaluations on the TCGA dataset demonstrate that M

^3

-Gen generates realistic and functionally meaningful gene expression data. Importantly, by integrating multiple modalities in an attention-based mechanism, M

^3

-Gen provides intrinsic explainability: it allows the identification of which regions of the histopathology images most strongly influenced the generation of specific gene expression profiles, making the model's decisions interpretable by design.

Francesca Pia Panaccione, Carlo Sgaravatti, Marco Venere

DEIB - Dipartimento Elettronica, Informazione e Bioingegneria, Politecnico di Milano, Milan, 20133, Italy

Multimodal Generation Multimodal Model Interpretability Conditional Generative Modeling

Jul 21, 2026cs.LG

Generating Bearing Vibration Signals at User-Specified Fault Probabilities Using PR-GAN and Counterfactual Methods

In bearing vibration datasets, most samples receive predicted fault probabilities close to 0 or 1, while samples with intermediate (gray-zone) probabilities are rare. Such borderline samples are important because they reflect conditions in which maintenance decisions may require additional inspection or a conservative response and are useful for studying decision boundaries. To address this scarcity, this paper proposes and compares two approaches that generate vibration signals whose predicted fault probability matches a target probability of 0.25, 0.50, or 0.75. We use the average output of a heterogeneous ensemble classifier with different architectures and random initializations as a fixed, gradient-accessible probability oracle. The first, training-based approach, Probability-Regularized Generative Adversarial Network (PR-GAN), extends Wasserstein Generative Adversarial Network with Gradient Penalty (WGAN-GP) and edits a real signal through a residual generator while pushing the classifier output toward the target probability. The second is a training-free, per-sample Wachter-style counterfactual (CF) procedure that directly optimizes each input signal to reach the target probability while remaining close to the source signal. We evaluate both methods on the Case Western Reserve University (CWRU) and Paderborn bearing datasets using mean absolute target-probability error, time-domain total variation, and frequency-domain log power spectral density (log-PSD) differences. Across all settings, CF reaches the target with a mean absolute probability error of 0.005-0.008 and a within-tolerance success rate of 1.000 on retained samples, whereas PR-GAN's mean error is 0.046-0.059 with success rates between 0.501 and 0.680. CF therefore steers the probability more reliably and requires smaller average L1 changes, whereas PR-GAN has a lower reported runtime in most settings.

Seyed Mohammadreza Alavi, Ardeshir Shojaeinasab, Reza Jalayer +2

Department of Electrical and Computer Engineering, University of Tehran, Tehran, Iran · Department of Electrical and Computer Engineering, University of Victoria, Victoria BC, Canada · FAST-Lab, Faculty of Engineering and Natural Sciences, Tampere University, Korkeakoulunkatu 7, 33720 Tampere, Finland +1

Synthetic Data Generation Time Series Generation Bearing Fault Diagnosis Conditional Generative Modeling

Jul 21, 2026cs.LG

Decafs: Disentangled Conditional adversarial Flows

Flow-based models have established state-of-the-art performance in generative modeling across domains, but are hard to interpret due to their complex latent embeddings. In particular, the entanglement of generative factors in the latent space hinders controlled generation. We circumvent this issue by appealing to a novel conditional generator based on Lie groups that disentangles an alternative latent space, which is aligned closely with the latent flow space using an adversarial loss. Our approach facilitates interpretable conditional generation while obviating the need to expand the dimensionality of the flow space (owing to its invertibility requirements). The proposed model demonstrates strong performance across conditional image (including, outperforming StyleGAN on MNIST, dSprites) and molecule (using standard QM9, ZINC and MOSES) generation tasks

Anirudh jain, Sakshi Varshney, Samuel Kaski +1

Orion Pharma · Aalto University, Finland · Aalto University +3

Disentangled Representation Learning Normalizing Flows Conditional Image Generation Generative Modeling Molecular Generation Flow-Based Generative Modeling+1

Jul 20, 2026cs.LG

Three-Body Scattering for Generative Modeling

Modern generative models typically rely on an adversarial critic, a prescribed noise-to-data path, or an autoregressive factorization. Instead, we show that a proper distributional energy can induce sample-level motion and provide direct regression supervision for a one-step generator. Three-Body Scattering Modeling (TBSM) for generation turns the energy distance into a constant-size per-projectile interaction: each projectile is attracted toward one real source and repelled from one independently generated source. Conditioned on the projectile and its condition, its expectation equals the

2

-Wasserstein gradient-flow velocity of

\frac12D_E^2(P_θ,Q)

. A batch of

B

frozen-target events yields

O(B)

sample-level losses, each using one reference for its condition instead of the minibatch-wide all-pairs field used by methods such as Drifting Models. Tracking this conditional expectation online can reduce field noise. Using scattering in frozen image features, TBSM trains one-step generators on ImageNet-256, achieving FID

{}=2.23

with pixel-space PixelDiT-XL and FID

{}=1.63

with latent-space DiT-XL at NFE

{}=1

. We provide a design map relating diffusion-related supervision, Drift-like dynamics, and GAN-like objectives. These results establish tracked scattering as a route to high-dimensional one-step generation. Code: https://github.com/sp12138/TBSM.

Peng Sun, Zhenglin Cheng, Deyuan Liu +3

Westlake University · Zhejiang University · University College London

One-Step Generative Modeling Distribution Matching Conditional Generative Modeling

Jul 20, 2026cs.LG

SGN: A Similarity-based Generative Network for Data Generation under Distribution Shift

Generative models trained on a source domain often produce samples that are poorly aligned with shifted target domains, limiting their effectiveness for target-domain data augmentation. Although target-specific adaptation can reduce this mismatch, it typically requires additional optimization and domain-specific parameters. We propose a Similarity-based Generative Network (SGN), a reusable framework that is trained once on labeled source data and applied to new target domains without parameter updates. SGN learns a latent space structured by label-induced pairwise similarities while preserving reconstructive information through an encoder-decoder architecture. At generation time, a small labeled representative set from the target domain is encoded and combined in the learned latent space, allowing the generated samples to inherit target-specific characteristics while maintaining class consistency. We further analyze the realizability and dimensionality requirements of the proposed similarity structure. Experiments on image and tabular datasets demonstrate the effectiveness of SGN for target-guided data augmentation under source-to-target distribution shifts.

Jiaqi Zhu, Xincheng Chen, Yuncheng Wu +2

National University of Singapore · Renmin University of China · Beijing Institute of Technology +1

Synthetic Data Augmentation Generative Modeling Conditional Generative Modeling

Jul 19, 2026cs.CV

Autoregressive B-Rep Shape Generation with Parametric Surfaces

Generative CAD modeling has broad design and application potential. Despite significant advances in Boundary Representation (B-Rep) generation, the dominant representation in CAD, existing methods largely depend on uniformly sampled point- or grid-based geometry representations, sacrificing native surface types and parameters and thereby limiting geometric fidelity and downstream usability. We present ParaCAD, an autoregressive framework for point-cloud-conditioned B-Rep generation that directly operates on native parametric surfaces. ParaCAD introduces a surface-centric tokenization that explicitly encodes each face by its exact surface type and continuous parameters, preserving the intrinsic semantics of CAD geometry. Our model first generates parametric surfaces with constrained UV domains, and then constructs a valid B-Rep by globally intersecting these surfaces to recover edges and vertices. ParaCAD places point-cloud-conditioned generation at the core of B-Rep synthesis, making it practical for user-guided reconstruction and seamless integration into existing 3D generation pipelines. Extensive experiments demonstrate that ParaCAD produces accurate B-Reps with faithful point-cloud alignment, outperforming point-based baselines in geometric precision, robustness, watertightness and downstream usability.

Dafei Qin, Rui Xu, Zeyu Shen +8

The University of Hong Kong, Deemos Technology Co., Ltd., China · Institute of Software, Chinese Academy of Sciences, China · ShanghaiTech University, Deemos Technology Co., Ltd., China +3

Parametric CAD Modeling 3D Shape Generation Autoregressive Generation Conditional Generative Modeling

Jul 18, 2026cs.LG

TVGL-CFM:Generating and Forecasting Time-Varying Trajectories of Dynamic Networks with Conditional Flow Matching

Many complex systems such as brain networks, financial markets, and gene-regulatory circuits are described not by a fixed graph but by one that changes over time. A standard way to summarise such structure at each instant is the sparse precision (inverse-covariance) matrix, and the time-varying graphical lasso (TVGL) turns a multivariate signal into a smooth chain of these matrices. We introduce TVGL-CFM, a single model that learns the distribution of such chains and can both generate new, realistic time-varying network trajectories for a given class and forecast how an observed trajectory will continue. Each precision matrix lives on a curved space of positive-definite matrices, but a log-Euclidean chart flattens an entire trajectory into an ordinary vector space, so a simple conditional flow-matching model can be trained and sampled there while every decoded matrix is guaranteed to be a valid precision matrix. For forecasting we start the flow not from noise but from a rough extrapolation of the recent history, so the model only has to learn a small correction. Across EEG motor-imagery, chaotic systems, and gene-expression data, TVGL-CFM generates trajectories that keep the class-discriminative structure of real data, and it forecasts future connectivity more accurately than raw-signal baselines. Generating the structured precision trajectory directly is therefore more faithful than generating raw signals and estimating connectivity afterwards.

Om Roy, Yashar Moshfeghi, Keith Malcolm Smith

University of Strathclyde

Time Series Generation Dynamic Graph Learning Conditional Generative Modeling

Jul 18, 2026stat.ML

Semi-Supervised Conditional Generative Learning through Stochastic Interpolation and Sufficient Representations

Conditional generative modeling remains a challenging problem in semi-supervised settings where labeled data is scarce but unlabeled samples are abundant. To effectively leverage structural information embedded within the unlabeled dataset and compensate for sparse conditioning signals, we propose a semi-supervised framework combining conditional stochastic interpolation with low-dimensional latent representations. RepG decomposes generation into two stages: label-dependent latent sampling and high-dimensional reconstruction. This isolates the supervised learning of conditional dependencies to a low-dimensional space, requiring few labels while utilizing the abundant unlabeled data purely for reconstruction. Theoretically, we establish an error decomposition showing that the Kullback-Leibler divergence of RepG comprises stage-wise estimation errors and a structural bias quantified by conditional mutual information. For deep neural network estimators, we derive non-asymptotic convergence rates proving that RepG significantly improves sample complexity. By confining the supervised estimation burden to the low intrinsic dimension of the latent representation, RepG achieves a strictly faster convergence rate. Complemented by a minimax lower bound, our theoretical results demonstrate that this method effectively mitigates the curse of dimensionality inherent in direct ambient-space generative modeling.

Changyu Liu, Yuling Jiao, Jian Huang

Institute for Mathematics and Artificial Intelligence, Wuhan University, Wuhan, China. · School of Artificial Intelligence, Hubei Key Laboratory of Computational Science, Wuhan University, Wuhan, China. · Departments of Data Science and Artificial Intelligence, and Applied Mathematics, The Hong Kong Polytechnic University, Hong Kong, China.

Representation Learning Stochastic Interpolants Semi-Supervised Learning Conditional Generative Modeling

Jul 18, 2026stat.ML

Semi-Supervised Conditional Diffusion via Label Augmentation

Conditional diffusion models have become a powerful and flexible framework for learning complex conditional distributions from labeled data. In practice, however, acquiring high-quality labels is costly and time-consuming, leaving large volumes of unlabeled data unused. To address this, we introduce label-augmented conditional diffusion (LACD), a simple and effective approach that incorporates unlabeled examples by assigning them a designated trivial label and performing joint denoising score matching over the augmented dataset. We provide sufficient conditions guaranteeing population-level identifiability of the target conditional distribution under this scheme. Moreover, we establish rigorous statistical guarantees: when sufficiently many unlabeled samples are available, the sampling distribution produced by LACD converges strictly faster than the purely supervised estimator in total variation distance, and at least as fast in Wasserstein-1 distance. Extensive experiments on synthetic, image, and tabular benchmarks corroborate our theory and show substantial gains in sample efficiency and generative performance compared with the purely supervised estimator.

Jin Su, Yuan Gao, Yong Zhou +1

aDepartment of Applied Mathematics, The Hong Kong Polytechnic University, Hong Kong, China · bSchool of Statistics and Data Science, Nankai University, Tianjin, China · cSchool of Statistics, East China Normal University, Shanghai, China +1

Data Augmentation Semi-Supervised Learning Conditional Diffusion Models Conditional Generative Modeling

Jul 18, 2026cs.AI

A Research Prototype for Closed-Loop Generative Design of Customized Foot Orthoses via Semantic-Physics Alignment

Translating unstructured clinical prescriptions into patient-specific foot orthoses (FOs) is hindered by a semantic-physical misalignment: high-level clinical intent is not mapped deterministically onto the 3D geometric parameters of the orthosis, and existing design workflows remain dependent on manual expertise with no instantaneous biomechanical validation. We present TANS-FO, a research prototype-a modular pipeline with closed-loop feedback for computational design automation of customized FOs, not a clinically validated therapeutic device. A Text-Aligned Neural Surrogate (TANS) uses cross-attention to project clinical-text embeddings onto a continuous lattice-density field, while a Graph Neural Network (GNN) surrogate predicts plantar stress in real time as a substitute for Finite Element Analysis (FEA). The framework is anchored on the open-access PicoFoot-5K anthropometric database (5,230 subjects; 30+ anatomical parameters). Under standardized quasi-static loading, the GNN surrogate agrees with an Abaqus reference solver (R^2 = 0.94), and the full pipeline synthesizes manufacturing-ready lattice insoles within minutes. On the Male 18-40 cohort, the proposed system attains a surrogate-predicted peak-pressure reduction of 34.7% over parametric CAD, with a fit error of 0.42 mm. Separately, an exploratory feasibility observation (n = 12; 2-week follow-up; no control group) using VAS pain reporting indicates short-term comfort improvement (VAS 6.4 -> 2.1), but this data is explicitly classified as preliminary observational evidence only-not evidence of clinical efficacy.

Rui Wang, Byungwon Min, Suxing Liu

Department of IT Engineering, Mokwon University, Daejeon 35349, South Korea · Shanghai Artificial Intelligence Generative Design Technology Co., Ltd., Shanghai 200000, China · School of Digital Arts, Jiangxi Arts & Ceramics Technology Institute, Jingdezhen 333001, China

Neural Surrogate Modeling Conditional Generative Modeling

Jul 14, 2026physics.plasm-ph

A Shortcut to Statistically Steady-State Turbulence with Flow Matching

Many nonlinear physical systems exhibit an initial transient phase in which perturbations grow before nonlinear interactions lead to a statistically steady state. While this saturated regime is of primary interest, direct numerical simulations must resolve the full transient dynamics before reaching it, incurring significant computational cost. In Computational Fluid Dynamics, reduced-order approaches such as Large Eddy Simulation mitigate computational cost by modeling small-scale dynamics, enabling tractable approximations of turbulent flows. In contrast, for systems such as gyrokinetics, comparably effective closures for the full dynamics are not generally available, and high-fidelity simulations remain necessary. Existing surrogate modeling approaches for these systems are autoregressive, hence they suffer from accumulating error. We instead propose to bypass explicit time evolution by directly modeling the distribution of saturated states under an ergodicity assumption, stating that ensemble averages over samples are equivalent to time averages of a single long simulation. We introduce GyroFlow, a latent generative model that directly estimates steady-state statistics of gyrokinetic turbulence in 5D phase space, without resolving the transient phase. GyroFlow generates saturated snapshots from noise, conditioned on dimensionless operating parameters and outperforms autoregressive, reduced-order, and other generative approaches, while providing substantial speedup. To evaluate generation quality we propose FGyD, a distributional metric computed in the latent space of a pretrained gyrokinetic model, and show that it correlates with downstream flux accuracy and solver convergence. Finally, GyroFlow can be used to warm-start the numerical code used to produce the data.

Gianluca Galletti, Gerald Gutenbrunner, William Hornsby +5

Institute for Machine Learning, JKU Linz · United Kingdom Atomic Energy Authority, Culham campus · Mistral AI

Dynamical Systems Surrogate Modeling Conditional Generative Modeling

Jul 14, 2026stat.ML

LatentFlow: A General Framework for Conditioning Stochastic Processes

Stochastic-process models are, as a rule, far easier to simulate than to condition. Non-linear observations, non-Gaussian likelihoods, black-box information, and global constraints all induce intractable conditional laws, requiring bespoke, model-specific constructions. We introduce LatentFlow, a single framework for conditioning stochastic processes, with no learned neural approximations and no training. Our starting point is to write the stochastic process as the deterministic image of a tractable latent innovation,

f_0 = T_{\vartheta}(ξ_0)

, with

ξ_0

sampled from a simple reference distribution. This reduces process-level conditioning to latent-space inference: pull the likelihood back through

T_{\vartheta}

, sample the resulting latent law with a tractable guided probability flow, and push the samples forward. This construction is provably exact at the level of the target law; in practice, approximation enters only through finite terminal noising, Monte Carlo guidance, and time discretisation of the continuous-time dynamics, each of which is explicit and systematically reducible. As LatentFlow is training-free, conditioning reduces to solving a single reverse-time SDE. This enables conditional sampling in seconds on a single desktop CPU across model classes that have never shared a scalable method: classical spatial priors, nonlinear stochastic dynamics, mechanistic models from the physical and life sciences, stochastic PDEs, heavy-tails and extremes, point and discrete-state processes, and neural or simulator-defined processes.

Louis Sharrock, Lachlan Astfalck, Henry Moss

University College London · University of New South Wales · Lancaster University

Posterior Sampling Conditional Generative Modeling

Jul 14, 2026stat.ML

ANGLE: Angular Neural Generative Learning via Engression

Circular data, representing angles or directions, are frequently encountered in computer vision, biology, geology, and meteorology. Traditional regression targets the conditional mean, which is often geometrically misleading for circular responses under multimodal, skewed, or asymmetric data structures. To address these limitations, a lightweight deep generative framework, namely ANGLE, is introduced for non-parametric distributional regression on the circle. The full conditional distribution of an angular response, given Euclidean and circular covariates, is learned through a generative map optimized via a generalized circular energy score (GCES) loss. Desirable theoretical properties, including the strict propriety of the loss and the rotational equivariance of the estimators, are established. Furthermore, both pre- and post-additive noise models are accommodated. A unified toolbox is provided for advancing previously underexplored challenges in circular statistics: extrapolation, sufficient dimension reduction, and conditional distribution equality testing. The framework's efficacy is demonstrated through extensive simulations and real-world applications. Specifically, the proposal is utilized for object pose estimation from imagery and wind direction prediction, which are integral to surveillance, autonomous vehicles, and energy systems, respectively. Superior predictive performance and robust uncertainty quantification of the proposed method in these tasks are revealed.

Rajdeep Pathak, Archi Roy, Tanujit Chakraborty

LPSM, Sorbonne Université, Paris, France · SAFIR, Sorbonne University Abu Dhabi, UAE · Indian Institute of Management, Kozhikode, India

Conditional Generative Modeling

Jul 13, 2026eess.SY

Generating Physically Plausible Parachute Dynamics with Deep Generative Modeling

Accurately modeling the dynamics of planetary parachute and entry vehicle systems is critical for Entry, Descent, and Landing events such as vehicle separation and sensor activation. These dynamics are difficult to capture with traditional system-identification methods as parachute motion is highly nonlinear, the governing equations are not fully known, and relevant test data are scarce and expensive to acquire. In this work, we sidestep these challenges by leveraging a physics-aware generative modeling approach that learns parachute dynamics directly from data. The proposed method, Symplectic Parachute Generative Adversarial Network (SPar-GAN), adapts a Hamiltonian generative architecture to the parachute setting by conditioning on canopy design and freestream velocity, while enforcing conservation of energy through symplectic integration. We apply SPar-GAN to subscale parachute tests conducted at the National Full-Scale Aerodynamics Complex and show that it reproduces qualitatively accurate pitch-yaw dynamics of different parachute configurations while recovering a compact two-degree-of-freedom phase-space consistent with canopy axisymmetry. These results suggest that physics-constrained generative models can characterize parachute dynamics across operating conditions and may help reduce the volume of physical testing required to assess performance.

Yulong Yang, Clara O'Farrell, Christine Allen-Blanchette

Mechanical and Aerospace Engineering, Engineering Quadrangle, Princeton, NJ 08544 · Group Supervisor, Dynamics, Modeling, Flight Mechanics & UQ, 4800 Oak Grove Dr, M/S 198-326, Pasadena, CA 91011, AIAA Member · Center for Statistics and Machine Learning, Engineering Quadrangle, Princeton, NJ 08544

Physics-Informed Generative Modeling Physics-Informed ML Conditional Generative Modeling Physics-Based Simulation Generative Adversarial Networks

Jul 13, 2026cs.LG

Physics-Aware Conditional SetGAN for Spatially Consistent Multi-User TR 38.901 Channel Generation

TR 38.901-based channel models such as Sionna are reliable, but generating many multi-user channel realizations remains expensive. This paper asks a practical question: can a trained generative model produce multi-user TR 38.901 channels faster than Sionna without losing the spatial correlations imposed by user geometry? To answer this question, we propose a physics-aware, geometry-conditioned SetGAN trained on Sionna reference data. The method separates large-scale received power from normalized small-scale fading, compresses the latter with principal component analysis, and learns the conditional channel distribution in a latent space while preserving geometry-dependent correlations. On the UMa/NLoS benchmark, the model keeps the received-power distributions close to the reference, with about 0.41 dB Wasserstein distance, and reproduces spatial-consistency profiles with mean deviations below 0.03 on median curves versus distance. In addition, it reduces elapsed generation time by a factor of 3.45 and CPU-total cost by a factor of 6.15 relative to Sionna under matched user positions in the fixed-position CPU-vs-CPU benchmark. These results show that a trained generative model can substantially accelerate TR 38.901 channel generation without breaking the spatial consistency needed to evaluate multi-user systems.

Mauro Gonzalo Tarazona-Levano, David Lopez-Perez, Nicola Piovesan +1

Institute of Telecommunications and Multimedia Applications (iTEAM), Universitat Politècnica de València (UPV), Spain · Beihang Valencia Polytechnic Institute (BVPI), China · Huawei Technologies, France

Wireless Communications Radio Propagation Modeling Conditional Generative Modeling Generative Adversarial Networks

Jul 13, 2026cs.LG

Gene Expression-Informed Jointly Controlled Generative Modeling for Precision Molecular Design

Precision molecular design aims to discover personalized drug candidates through joint control of multiple conditions, such as biological relevance and molecular design strategies. Biological relevance reflects cellular functional states under disease or perturbation conditions, while molecular design strategies provide complementary guidance in terms of structural intentions and property optimization. In this study, we propose JoPMol, a jointly controlled precision molecular generative model that integrates biological states encoded by gene expression profiles with molecular structure information expressed in text, and chemical properties quantified by numerical values within a unified modeling framework. This formulation enables coordinated generation and optimization of candidate molecules under joint condition control. Experimental results show that JoPMol outperforms state-of-the-art methods across multiple evaluation metrics. Moreover, JoPMol demonstrates strong generalization ability in both transfer tasks and biologically grounded simulation scenarios, validating its effectiveness for precision molecular design. The source code is publicly available at https://github.com/hala-yh/JoPMol.

Hang Yuan, Chen Li, Wenjun Ma +2

School of Artificial Intelligence South China Normal University Foshan, Guangdong, China · D3 Center The University of Osaka Suita, Osaka, Japan · School of Computer Science South China Normal University Guangzhou, Guangdong, China

Molecular Optimization Molecular Generation Conditional Generative Modeling Drug Discovery

Jul 10, 2026eess.IV

Next-Dense-Stride Prediction for Multimodal Autoregressive Visual Modeling

We introduce DenseAR, a new generative paradigm that reformulates autoregressive image generation as coarse-to-fine next-dense-stride prediction using a compact single-scale tokenizer. Our key insight is that traversing a single-scale latent grid with progressively denser strides naturally captures the transition from global structure to fine detail. This addresses two limitations of existing autoregressive models at once: the slow inference of raster-order autoregression, which DenseAR avoids by predicting multiple tokens in parallel, and the heavy cost of multi-scale approaches, which need long, multi-resolution token sequences to achieve coarse-to-fine prediction. Building on our efficient framework and the flexibility of autoregressive modeling, we further extend DenseAR to a unified model that handles multiple modalities and imaging tasks within a single backbone. We validate DenseAR on both medical and natural images. On multi-contrast brain MRI, a single DenseAR model unifies cross-modal translation, modality-conditioned generation, and tumor segmentation, while remaining competitive with task-specific methods. On ImageNet, DenseAR improves class-conditional generation quality (FID and IS) over both a single-grid baseline without stride ordering and a multi-scale tokenizer-based baseline.

Chicago Y. Park, Jialin Mao, Xiaojian Xu +3

University of Wisconsin–Madison · GE HealthCare

Unified Multimodal Models Autoregressive Image Generation Autoregressive Generation Medical Image Synthesis Conditional Generative Modeling