Conditional Generative Modeling

Inverse materials design is shifting materials discovery from forward prediction to targeted proposal of candidates that satisfy objectives under physical constraints. Here, we review recent advances in generative crystal structure modeling, multimodal learning, and closed-loop design pipelines for crystalline solids. We survey how modern generators learn chemical-structural priors from large databases to enable controllable sampling of periodic structures, and compare leading model classes including variational autoencoders, normalizing flows, autoregressive formulations, and diffusion models. Particular attention is given to how feasibility constraints and physical priors are enforced across the workflow, through representation choices, training objectives, sampling-time guidance, and post-generation screening and relaxation. We also discuss how multimodal learning fuses diverse materials modalities, including crystal structures, thermodynamic, electronic information, microscopy, spectroscopy, processing context, and scientific text, to construct a more universal, transferable representation of chemical space. In addition, diverse inverse-design strategies are examined, particularly those that integrate conditional generation with latent optimization, Bayesian optimization, reinforcement learning, and active learning. Finally, we highlight recurring failure modes, such as surrogate exploitation, diversity collapse, distribution shift, and the stability-synthesizability gap, and outline discovery-grade evaluation practices based on staged reporting of validity, novelty, uniqueness, stability, and cost.

Background: Respiratory sound classification plays a critical role in the clinical identification of pulmonary pathologies. However, its performance is often hindered by the limited size, severe noise, and class imbalance of real-world auscultation datasets. Although conventional audio augmentation techniques are easy to implement, they may inadvertently distort subtle pathological characteristics. Meanwhile, existing Variational Autoencoder (VAE)- or Generative Adversarial Network (GAN)-based generative approaches often suffer from limited sample fidelity and insufficient controllability over class semantics, particularly under conditions of scarce supervision. Methods: To overcome these limitations, we propose C2GA, a class-controllable generative augmentation framework. C2GA first constructs a semantically rich discrete latent space using a conditional Vector-Quantized Variational Autoencoder (VQ-VAE), in which local acoustic tokens are explicitly decoupled from global class prototypes. Subsequently, a Transformer-based autoregressive prior is trained to generate label-consistent token sequences. These generated tokens are then fused with the corresponding class prototypes and decoded into high-fidelity Mel-spectrograms for data augmentation. Conclusion: These results indicate that C2GA provides an effective and semantically reliable augmentation strategy for respiratory sound analysis. By enabling controllable and high-quality data generation, the proposed framework offers a promising solution for improving the robustness and generalization of respiratory sound classification in realistic clinical scenarios.

Watch time has emerged as a pivotal metric for optimizing deep user engagement in short-video recommender systems. However, current methods of watch time prediction (WTP) suffer from inherent paradigm-specific limitations. Direct Regression faces mean-collapse due to unimodal Gaussian assumptions, while Ordinal Regression is hampered by quantization errors from rigid discretization. Similarly, Discrete Generative Regression struggles with high inference latency and heuristic vocabulary design. Beyond these specific flaws, a shared deficiency is the inability to capture the intrinsic multimodality and heterogeneity of User-Item Interaction Patterns. To address these challenges, we first revisit the WTP problem from a causal perspective and identify these user-specific patterns as structural confounders that modulate watch time outcomes, where identical interests manifest as distinct watch time outcomes conditioned on diverse user habits. Then, we formally propose a new (or the fourth) paradigm -- Continuous Generative Regression, and introduce FlowTime, a novel method utilizing a One-step Generative Variational Autoencoder. FlowTime effectively circumvents the latency of iterative denoising while maintaining the expressivity of continuous latent spaces. Furthermore, we design a Flow-based Personalized Prior that leverages NFs to warp a standard Gaussian prior into a complex, history-conditioned manifold, thereby enabling the adaptive modeling of multimodal interaction patterns. Finally, we build TimeRec, the first open-source WTP Library, alongside a novel personalization metric to establish a rigorous benchmarking standard. Extensive offline experiments and online A/B tests demonstrate FlowTime's significant superiority over SOTA methods.

Recent developments in 3D shape representation opened new possibilities for generating detailed 3D shapes. Despite these advances, there are few studies dealing with the generation of 4D dynamic shapes that have the form of 3D objects deforming over time. To bridge this gap, we focus on generating 4D dynamic shapes with an emphasis on both generation quality and efficiency in this paper. HyperDiffusion, a previous work on 4D generation, proposed a method of directly generating the weight parameters of 4D occupancy fields but suffered from low temporal consistency and slow rendering speed due to motion representation that is not separated from the shape representation of 4D occupancy fields. Therefore, we propose a new neural deformation representation and combine it with conditional neural signed distance fields to design a 4D representation architecture in which the motion latent space is disentangled from the shape latent space. The proposed deformation representation, which works by predicting skinning weights and rigid transformations for multiple parts, also has advantages over the deformation modules of existing 4D representations in understanding the structure of shapes. In addition, we design a training process of a diffusion model that utilizes the shape and motion features that are extracted by our 4D representation as data points. The results of unconditional generation, conditional generation, and motion retargeting experiments demonstrate that our method not only shows better performance than previous works in 4D dynamic shape generation but also has various potential applications.

Engression is a recently proposed and effective framework for conditional distribution learning. Its multi-step Reverse Markov extension further improves generative flexibility by decomposing complex conditional sampling into sequential reverse transitions. Despite their strong empirical performance, rigorous finite-sample statistical guarantees for these methods remain unavailable. In this paper, under deep neural network parameterizations, we establish nonasymptotic convergence bounds for Engression by directly controlling the Energy Distance between the learned and target conditional distributions. For the Reverse Markov framework, we further develop an Energy-Distance-based chain rule that enables a rigorous analysis of error propagation across reverse steps. Our analysis yields corresponding excess-risk bounds that are near-optimal up to logarithmic factors relative to the classical minimax rate over a general Hölder class.

Functional Magnetic Resonance Imaging (fMRI) provides non-invasive access to dynamic brain activity by measuring blood oxygen level-dependent (BOLD) signals over time. However, the resource-intensive nature of fMRI acquisition limits the availability of high-fidelity samples required for data-driven brain analysis models. While modern generative models can synthesize fMRI data, they often remain challenging in replicating their inherent non-stationarity, intricate spatiotemporal dynamics, and physiological variations of raw BOLD signals. To address these challenges, we propose Dual-Spectral Flow Matching (DSFM), a novel fMRI generative framework that cascades dual frequency representation of BOLD signals with spectral flow matching. Specifically, our framework first converts BOLD signals into a wavelet decomposition map via a discrete wavelet transform (DWT) to capture globalized transient and multi-scale variations, and projects into the discrete cosine transform (DCT) space across brain regions and time to exploit localized energy compaction of low-frequency dominant BOLD coefficients. Subsequently, a spectral flow matching model is trained to generate class-conditioned cosine-frequency representation. The generated samples are reconstructed through inverse DCT and inverse DWT operations to recover physiologically plausible time-domain BOLD signals. This dual-transform approach imposes structured frequency priors and preserves key physiological brain dynamics. Ultimately, we demonstrate the efficacy of our approach through improved downstream fMRI-based brain network classification. The code is available at https://github.com/htew0001/DSFM.git .

Many stochastic physical systems evolve smoothly over time in the sense that the distribution of states changes regularly across time steps. The transition from current state to the next state can often be modeled as the combination of a smooth map and an explicit source of randomness. Stochastic Lifting exploits this structure by attaching an independent, high-dimensional random label to each state transition in the training data and fitting a transition map from the current state and label to the next state using a standard regression loss. The labels act as auxiliary coordinates that let the model represent multiple plausible next states from similar current states, avoiding collapse to a mean prediction in the finite-sample size regime. At inference, fresh labels are sampled at each time step and the learned map is rolled forward autoregressively, generating diverse trajectories with a single network evaluation per time step.

Interactive 3D assets used in games and simulation are typically decomposed into specific semantic parts to support animation, physics, and scripted behaviors, yet most generative 3D models produce either monolithic meshes or arbitrary part decompositions that cannot be aligned with application-specific requirements. We present CubePart, a generative framework for open-vocabulary, part-controllable 3D mesh generation that exposes part structure as an explicit inference-time control signal. Given a global text prompt and a user-defined parts schema expressed as an open-ended list of part names, our method generates a set of meshes - one per schema element - that assemble into a coherent object while respecting the specified semantic structure. To enable this capability, we introduce a scalable data pipeline to construct a large open-vocabulary, part-labeled 3D dataset, along with a two-stage generative architecture that separates global shape synthesis from part-level decoding. We demonstrate that the resulting assets can be directly integrated into game engines and driven by animation and behavior scripts without manual post-processing. Project Page: https://cubepart.github.io/

We introduce Spectral Guidance, a framework for controlling diffusion models by leveraging the intrinsic geometry of the generative process. As data is progressively corrupted by noise, only a small number of features remain informative for control. We characterize them as the singular functions of a conditional expectation operator and show that they can be learned via a self-supervised objective. Once recovered, this basis enables the projection of arbitrary guidance signals, such as labels, CLIP embeddings, or masks, directly onto the sampling trajectory. This approach allows for stable, high-fidelity control without retraining or denoiser backpropagation during sampling. Empirically, we improve conditional accuracy on CIFAR-10 by 37 percentage points over the strongest training-free baseline while offering $4\times$ faster sampling. Moreover, the same representations that support label and CLIP guidance also enable spatial control, such as mask-based guidance, without auxiliary models. Finally, our framework reveals a phase transition in the generative process, pinpointing the optimal time window for effective guidance.

Task-based fMRI provides a direct readout of task-evoked neural dynamics, but it is expensive and difficult to acquire at scale, motivating rest-to-task synthesis from widely available resting-state fMRI (rsfMRI). We propose FM-fMRI, an event-conditioned flow-matching model that learns a continuous-time conditional vector field to generate task ROI time series from a subject's rsfMRI and the task event information. The formulation enables fast ODE-based sampling and flexible conditioning over heterogeneous event schedules. Rather than optimizing for pointwise reconstruction, we evaluated generated signals using complementary criteria that probe temporal and spectral structure, subject and group-level connectome consistency, and distributional alignment. On the public Human Connectome Project and internal BioPoint autism cohort, FM-fMRI achieves the strongest spectral and connectivity agreement and improved distribution-level matching over conditional diffusion, generative adversarial networks (GANs), and variational autoencoders (VAEs) baselines. Furthermore, we augment the BioPoint cohort by synthesizing task-fMRI ROI time series with our method, improving downstream autism classification and demonstrating practical utility in data-limited clinical settings. The code will be available on GitHub.

Practical garment design spans two modes: intuitive creation from high-level intent, such as a reference image or text description, and complex low-level editing across 2D sewing patterns and 3D draped geometry, which requires professional training to navigate their complex interdependencies. Yet existing frameworks address only part of this challenge, offering either garment generation from casual inputs or direct editing on sewing patterns. To support both ends of the spectrum, we propose Garment Particles, a 5D point-cloud representation that jointly encodes 2D sewing patterns and 3D geometry. This representation enables Garment Particles Flow (GPF), a rectified flow framework that supports intuitive generation from high-level inputs (text, images, sketches) and various editing operations on 2D sewing patterns and 3D geometries via diffusion posterior sampling. Finally, we introduce Particles-to-Pattern Flow that converts generated garment particles into curved-based patterns for simulation. We validate our model's generation ability on multiple datasets, achieving state-of-the-art garment generation results against competitive baselines. Our model also enables many garment editing scenarios, including garment interpolation, sewing pattern editing, point-cloud- and silhouette-conditioned garment generation. Our project website is at https://garment-particles.github.io .

Property-conditional molecular generation should produce valid, diverse molecules while responding to continuous target values at low sampling cost. We introduce DriftingMol, a two-stage framework that adapts drifting models to a SELFIES latent molecular space. A frozen SELFIES beta-VAE provides the latent space, and the hidden representation of its decoder serves as the drift feature map. In decoder-coupled drift, decoder weights remain fixed, but drift gradients are backpropagated through the decoder feature map to a DiT generator, inducing a pullback metric aligned with molecular decoding. On ZINC250K, the default setting achieves QED Spearman correlation 0.493 with 94.7% uniqueness, while the strongest decoder-coupled condition reaches 0.510. Under protocol-matched four-property conditioning, decoder-coupled drift reaches mean Spearman correlation up to 0.598. Across 15 controlled variants, models that preserve the gradient path through decoder features achieve higher correlations than the tested latent-space, random-feature, and external-feature drift variants, while detached or stop-gradient decoder controls yield near-zero QED correlation and very low uniqueness. These results indicate that decoder-coupled drift is a useful low-cost mechanism for property-biased molecular generation, requiring one generator evaluation and one frozen decoder pass.

We introduce a new approach to high-fidelity 3D scene reconstruction from multi-view RGB images that tightly couples reconstruction with a strong generative 3D prior. We cast scene reconstruction as conditional 3D generation over a set of spatially-localized, overlapping chunks that together tile the scene, scaling generation to large scene extents. Crucially, we inherit the fidelity and completeness of state-of-the-art generative shape models -- we use Trellis.2 as an example -- which we generalize to the scene level. To this end, we propose a projection-based conditioning mechanism that lifts posed multi-view image features into a coherent 3D representation aligned with the generative model, independent of view ordering and spatially anchored to the scene, yielding high-fidelity, multi-view consistent generated geometry. This enables lifting the strong object-level prior of Trellis.2 to multi-view, scene-scale generation, producing faithful, editable PBR mesh reconstructions of indoor environments. As a result, we obtain high-fidelity results that outperform cutting-edge reconstruction methods by 16%.

Effectively modeling non-stationary dynamics in probabilistic multivariate time series(MTS) forecasting requires balancing expressiveness with robustness. Existing parametric approaches benefit from strong inductive biases but lack flexibility, whereas deep generative models struggle to capture complex temporal dependencies without extensive data and computation. We introduce Parametric Prior Mapping (PPM), a framework that injects parametric structural priors into a generative modeling process. Specifically, PPM utilizes a parametric estimator to derive a dynamic, adaptive prior that guides the learning of a complex predictive distribution via a learnable mapping. This design allows the model to retain the efficiency of parametric methods while exploiting the expressive power of generative models. Trained with a hybrid objective, PPM yields precise forecasts with well-calibrated uncertainty estimates. Empirical results show that PPM outperforms existing baselines in handling non-stationary data, offering a superior trade-off between accuracy and computational efficiency. The code is available at https://github.com/ljl8336/PPM.

Antibody design methods condition on antigen structure to generate complementarity-determining regions (CDR), yet a systematic evaluation of baseline methods reveals that they largely ignore the antigen input. We identify three failure modes that explain this behavior. Antigen blindness arises because models derive predictions from antibody framework context rather than antigen information, producing nearly identical CDRs regardless of the target. Vocabulary collapse reduces predicted amino acids to three to five per position, far below the ground truth distribution in native sequences. Moreover, any model trained with standard per-position cross-entropy converges to the positional marginal distribution, making it provably unable to produce antigen-specific sequence predictions. We propose a novel encoder-decoder architecture called AgForce, that uses a graph neural network (GNN) as the encoder and specialized decoders for sequence-structure co-design. Specifically, we apply framework dropout, gated bottlenecks, and hyperbolic cross attention that prevent the antibody shortcut path. In the decoder, a Mixture Density Network (MDN) sequence head with Potts-like pairwise coupling and annealed Multiple Choice Learning (aMCL) replaces the cross-entropy objective with a multi-component distribution whose optimal solution differs from the positional marginal. An antigen cycle consistency head routes gradients through the sequence decoder, forcing predicted distributions to encode antigen identity. AgForce achieves the best binding quality and sequence recovery simultaneously on the CHIMERA-Bench dataset, improving amino acid recovery by 8% over the strongest sequence baseline while surpassing the baselines across all interface metrics, and nearly doubling the effective vocabulary of GNN methods. The source code is available at: https://github.com/mansoor181/ag-force.git

Text-to-music generation has advanced rapidly, with modern autoregressive and diffusion-based models producing convincing music from natural-language prompts. However, much of this progress relies on large-scale training data and external pretraining, making it difficult to isolate which design choices remain effective when data and pretraining are controlled. We study this setting using a Diffusion Transformer backbone with lyric and timbre conditioning, adapted to an instrumental-only text-to-music task in which the auxiliary lyric and timbre branches receive only degenerate conditioning signals. Through controlled ablations, we find that models retrained without these branches score lower across AudioBox aesthetics, LLM-as-judge, and human MOS, and that reinvesting the saved parameters as additional DiT depth recovers only marginally. This suggests the auxiliary branches may act as training-time architectural anchors whose contribution goes beyond their explicit conditioning content. We validate the same model through comparisons with external instrumental baselines and through our submission to the ICME 2026 Academic Text-to-Music (ATTM) Grand Challenge, where our Performance submission ranked first under both the objective metrics and the subsequent organizer-administered MOS over 35 raters, attaining the highest overall MOS across all challenge submissions, while our Efficiency submission was a finalist that tied for second under the objective metrics.

High-fidelity EEG generation is critical for alleviating data scarcity and addressing privacy constraints in large-scale neural modeling. Despite recent progress, most existing approaches formulate EEG generation via discrete denoising objectives, which inadequately reflect the inherently continuous temporal dynamics and spectral structure of neural activity. As a result, these methods often struggle to preserve long-range temporal dependencies and exhibit mismatches in the spectral and temporal structure of the generated signals. In this work, we argue that effective EEG generation requires models that operate directly on the continuous evolution of neural signals. We introduce Just EEG Transformer (JET), a generative framework based on conditional flow matching that models EEG as raw sequences evolving along continuous trajectories. By learning a smooth vector field that transports noise to the EEG data distribution, JET captures temporal continuity and transient dynamics without relying on discretized denoising schemes or domain-specific representations. To ensure that the learned dynamics remain consistent with key properties of EEG signals, we introduce principled constraints that preserve spectral structure, temporal stationarity, and signal-level statistics. Across three large-scale benchmarks, JET consistently achieves state-of-the-art performance, reducing TS-FID by over 40% compared to strong baselines. Extensive analyses show that JET captures key structural properties of neural dynamics, providing a scalable and principled approach to EEG generation. Project page: https://y-research-sbu.github.io/JET/ .

Single-cell RNA sequencing provides insights into gene expression at single-cell resolution, yet inferring temporal processes from these static snapshot measurements remains a fundamental challenge. Current approaches utilizing neural differential equations and flows are sensitive to overfitting and lack careful considerations of biological variability. In this work, we propose a generative framework that models population trends using a latent heteroscedastic Gaussian process (GP) approximated by Hilbert space methods. To address the absence of genuine cell trajectories, we leverage an optimal transport (OT) objective that aligns generated and observed population distributions. Our method explicitly captures biological heterogeneity by incorporating cell-specific latent time and cell type conditioning to disentangle temporal asynchrony and trajectories to different cell types. We demonstrate state-of-the-art performance on complex interpolation and extrapolation benchmarks and introduce a novel gradient-based strategy for inferring perturbation trajectories.

How should future neural reasoning systems implement extended computation? Recursive Reasoning Models (RRMs) offer a promising alternative to autoregressive sequence extension by performing iterative latent-state refinement with shared transition functions. Yet existing RRMs are largely deterministic, following a single latent trajectory and converging to a single prediction. We introduce Generative Recursive reAsoning Models (GRAM), a framework that turns recursive latent reasoning into probabilistic multi-trajectory computation. GRAM models reasoning as a stochastic latent trajectory, enabling multiple hypotheses, alternative solution strategies, and inference-time scaling through both recursive depth and parallel trajectory sampling. This yields a latent-variable generative model supporting conditional reasoning via $p_θ(y \mid x)$ and, with fixed or absent inputs, unconditional generation via $p_θ(x)$. Trained with amortized variational inference, GRAM improves over deterministic recurrent and recursive baselines on structured reasoning and multi-solution constraint satisfaction tasks, while demonstrating an unconditional generation capability. https://ahn-ml.github.io/gram-website

A fast simulation of the detector response is a vital task in high-energy physics (HEP). Traditional Monte-Carlo methods form the backbone of modern particle physics simulation software but are computationally expensive. We present a machine-learning-based approach to fast simulation of the Focusing Aerogel Ring Imaging Cherenkov (FARICH) detector response. Given a particle track and momentum, the goal is to generate realistic samples of photon hits on the detector matrix. We propose a conditional Generative Adversarial Network (cGAN) with a lightweight convolutional architecture that reproduces the projected detector response conditioned on particle parameters. We compare the cGAN against a linear statistical baseline using metrics applied to probability maps and to the reconstructed velocity distributions. The cGAN produces realistic samples and provides a significant speed-up over Monte-Carlo simulation.

High-resolution precipitation information is essential for climate impact assessment, yet global climate models remain too coarse to resolve key small-scale processes. Existing machine learning downscaling methods often require paired low- and high-resolution data for supervised learning, are tied to fixed regions or scale factors during inference, and can be computationally expensive to train and run in physical space. Here we introduce Longwang, a zero-shot latent generative framework for global spatiotemporal precipitation downscaling. Longwang learns a context-conditioned latent generative prior and combines it with a physically informed observation operator through posterior sampling, enabling daily O(10 km) precipitation fields to be generated from monthly O(100 km) inputs. On ERA5 reanalysis, Longwang outperforms standard posterior sampling with an unconditional generative prior in reconstructing fine-scale spatial patterns, preserving temporal coherence, and recovering extreme precipitation intensities. The framework further generalizes to historical climate simulations and future climate projections under substantial distribution shift.

Global climate models are essential tools to simulate past and potential future pathways of climate change, as well as associated climate impacts. Shared Socioeconomic Pathways (SSPs) describe a range of future scenarios of global economic and demographic development. These SSPs are intrinsically linked to changes in climate forcings -- the external drivers, such as greenhouse gas and aerosol emissions, which change Earth's energy balance over time. These forcings act as boundary conditions in Earth System Models (ESM), providing insight into the potential climatic impacts of each SSP. Running an ESM, however, is extremely computationally expensive, conflicting with the need for large ensemble runs to provide robust estimates in the presence of internal variability and scenario uncertainty. Machine Learning emulators provide a promising avenue towards fast and cheap scenario generation, but until recently lacked uncertainty quantification and the ability to condition on external forcings. Here, we build upon recent work and extend it by training on multiple SSPs. We successfully generate scenarios of IPSL -- CM6A -- LR unseen during training and remain physically consistent with the underlying climate model, even under strong extrapolation scenarios. Our emulator is validated against MESMER -- M, a statistical emulator of land surface temperature. Our research demonstrates that our model, ArchesClimate -- SSP, does not simply imitate scenarios seen during training, but is actually capable of modeling the response of a climate state to diverse forcings. This is an important step towards reliable and rapid climate model scenario generation.

Audio super-resolution (SR), also referred to as bandwidth extension (BWE), aims to reconstruct high-fidelity signals from low-resolution (LR) or band-limited (BL) observations, an inherently ill-posed task due to the ambiguity of missing high-frequency (HF) content. This survey provides a comprehensive overview of the field, with a particular focus on the paradigm shift from discriminative mapping to modern generative modeling. We first review early discriminative deep neural network (DNN) models, which formulate BWE/SR as a deterministic mapping problem and are prone to regression-to-the-mean effects and spectral over-smoothing. We then systematically review generative approaches, including autoregressive (AR) models, variational autoencoders (VAEs), generative adversarial networks (GANs), diffusion and score-based models, flow-based methods, and Schrödinger bridges. Across these approaches, we examine key design aspects, including representation domain, architecture, conditioning mechanisms, and trade-offs among reconstruction fidelity, perceptual quality, robustness, and computational efficiency. Furthermore, we discuss emerging directions involving large language models (LLMs) and multimodal foundation models, and highlight open challenges in perceptual evaluation, phase modeling, and real-world generalization. By providing a structured taxonomy and unified perspective, this survey establishes a comprehensive foundation and offers a practical roadmap for advancing BWE/SR from deterministic point estimation toward distribution-aware generative modeling.

Rare diseases dominate the diagnostic challenge in medical imaging yet are severely underrepresented in clinical datasets, causing classifiers to fail on exactly the conditions where reliable detection matters most. Generative augmentation can supply the missing tail-class coverage, but coarse disease labels aggregate diverse subtypes and acquisition settings into multi-modal conditionals that bias generators toward dominant submodes, while a shared Gaussian source forces rare subpopulations through disproportionately long transport paths. We propose an offline strategy that introduces informative priors at two levels: first, we partition each coarse label into coherent submodes via Gaussian mixture modeling in the generative model's latent space; second, we learn subclass-conditioned source distributions that re-center and re-scale the starting distribution per submode, shortening trajectories and reducing within-subclass dispersion. To prevent degenerate solutions we impose explicit geometric control, moderately concentrating normalized displacement directions around learnable prototypes while capping path-length outliers. On long-tailed chest X-ray (MIMIC-LT, NIH-LT) and CT slice (CT-RATE) benchmarks the proposed method consistently improves tail-class generation fidelity and diversity (FID, IRS) and is a promising augmentation strategy that reliably improves downstream balanced accuracy and macro-F1 over a non-augmented baseline across modalities.

Despite the success of foundation models in language and vision, molecular graph generation still lacks a unified framework for heterogeneous design tasks with reliable controllability. While reinforcement learning (RL) offers a natural post-training mechanism for task-specific optimization, applying it to graph generative models is hindered by the vast atom-wise action spaces and chemically invalid intermediate states. We propose \textbf{Co}ntrollable \textbf{Mole}cular Generative Foundation Models (CoMole), built with a unified motif-aware graph diffusion pipeline. By learning a motif-aware graph space, CoMole transfers pretrained structural priors into controllable generation, where RL optimizes conditional reverse policies over chemically meaningful decisions. We theoretically characterize the bottleneck of atom-level RL and justify motif-aware policy optimization. Across three heterogeneous benchmarks spanning materials and drug discovery, CoMole ranks first in controllability on all nine targets, reduces MAE by up to 48.2% relative to the strongest baselines, and maintains validity above 0.94 without rule-based correction or post-hoc filtering. We further show that CoMole transfers controllability to unseen properties by optimizing only task embeddings with the generator frozen, achieving performance competitive with strong task-specific baselines.

Current methods for creating drum loop audio in digital music production, such as using one-shot samples or resampling, often demand non-trivial efforts of creators. While recent generative models achieve high fidelity and adhere to text, they lack the specific control needed for such a task. Existing symbolic-to-audio research often focuses on single, tonal instruments, leaving the challenge of polyphonic, percussive drum synthesis unaddressed. We address this gap by introducing ``Break-the-Beat!,'' a model capable of rendering a drum MIDI with the timbre of a reference audio. It is built by fine-tuning a pre-trained text-to-audio model with our proposed content encoder and a effective hybrid conditioning mechanism. To enable this, we construct a new dataset of paired target-reference drum audio from existing drum audio datasets. Experiments demonstrate that our model generates high-quality drum audio that follows high-resolution drum MIDI, achieving strong performance across metrics of audio quality, rhythmic alignment, and beat continuity. This offer producers a new, controllable tool for creative production. Demo page: https://ik4sumii.github.io/break-the-beat/

Generative modeling has emerged as a promising approach for crystal structure discovery. However, existing LLM-based generative models struggle with low-level atomic precision, while diffusion-based methods fall short in integrating high-level scientific knowledge. As a result, generated structures are often invalid, unstable, or do not possess desirable properties. To address this gap, we propose CrystalReasoner (CrysReas), an end-to-end LLM framework that generates crystal structures from natural language instructions through reasoning and alignment. CrysReas introduces physical priors as thinking tokens, which include crystallographic symmetry, local coordination environments and predicted physical properties before generating atomic coordinates. This bridges the gap between natural language and 3D structures. CrysReas then employs reinforcement learning (RL) with a multi-objective, dense reward function to align generation with physical validity, chemical consistency, and thermodynamic stability. For property-conditioned tasks, we design task-specific reward functions and train specialized models for discrete constraints (e.g., space group) and continuous properties (e.g., elasticity, thermal expansion). Empirical results demonstrate that compared to prior works and baselines without thinking traces or RL, CrysReas obtains better performance on diverse metrics, triples S.U.N. ratio, and achieves better performance for property conditioned generation. CrysReas also exhibits adaptive reasoning, increasing reasoning lengths as the number of atoms increases. Our work demonstrates the potential of leveraging thinking traces and RL for generating valid, stable, and property-conditioned crystal structures.

Remote sensing image generation provides a reliable data foundation for remote sensing large models and downstream tasks. However, existing controllable remote sensing image generation methods typically rely on traditional techniques such as segmentation and edge detection, which do not fully leverage terrain or atmospheric conditions. As a result, the generated images often lack accuracy and naturalness when dealing with complex terrains and atmospheric phenomena. In this paper, we propose a novel remote sensing image generation framework, D2-CDIG, which integrates diffusion models with a dual-prior control mechanism. By incorporating both Digital Elevation Model (DEM) and cloud-fog information as dual prior knowledge, D2-CDIG precisely controls ground features and atmospheric phenomena within the generated images. Specifically, D2-CDIG decouples the terrain and atmospheric generation processes through independent control of ground and atmospheric branches. Additionally, a refined cloud-fog slider is introduced to flexibly adjust cloud thickness and distribution. During training, ground and atmospheric control signals are injected in layers to ensure a seamless transition within the images. Compared to traditional methods based on segmentation or edge detection, D2-CDIG shows significant improvements in image quality, detail richness, and realism. D2-CDIG offers a flexible and precise solution for remote sensing image generation, providing high-quality data for training large remote sensing models and downstream tasks.

Generative models are often trained with a next-token prediction objective, yet many downstream applications require the ability to estimate or control sequence-level properties. Next-token prediction can lead to overfitting of local patterns during training, underfitting of global structure, and requires significant downstream modifications or expensive sampling to guide or predict the global attributes of generated samples at inference time. Here, we introduce Conditional Attribute Transformers, a novel method for jointly estimating the next-token probability and the value of an attribute conditional on each potential next token selection. This framework enables three critical capabilities within a single forward pass, without modification of the input sequence: (1) per-token credit assignment across an entire sequence, by identifying how each token in a sequence is associated with an attribute's value; (2) counterfactual analysis, by quantifying attribute differences conditional on alternative next token choices; (3) steerable generation, by decoding sequences based on a combination of next-token and attribute likelihoods. Our approach achieves state of the art performance on sparse reward tasks, improves next-token prediction at sufficient model sizes, estimates attribute probabilities orders of magnitude faster than sampling, and can guide decoding of autoregressive sequence models on a range of language tasks.

LiDAR scene generation is increasingly important for scalable simulation and synthetic data creation, especially under diverse sensing conditions that are costly to capture at scale. Typically, diffusion-based LiDAR generators are developed under single-domain settings, requiring separate models for different datasets or sensing conditions and hindering unified, controllable synthesis under heterogeneous distribution shifts. To this end, we present OmniLiDAR, a unified text-conditioned diffusion framework that generates LiDAR scans in a shared range-image representation across eight representative domains spanning three shift types: adverse weather, sensor-configuration changes (e.g., reduced beams), and cross-platform acquisition (vehicle, drone, and quadruped). To enable training a single model over heterogeneous domains without isolating optimization by domain, we introduce a Cross-Domain Training Strategy (CDTS) that mixes domains within each mini-batch and leverages conditioning to steer generation. We further propose Cross-Domain Feature Modeling (CDFM), which captures directional dependencies along azimuth and elevation axes to reflect the anisotropic scanning structure of range images, and Domain-Adaptive Feature Scaling (DAFS) as a lightweight modulation to account for structured domain-dependent feature shifts during denoising. In the absence of a public consolidated benchmark, we construct an 8-domain dataset by combining real-world scans with physically based weather simulation and systematic beam reduction while following official splits. Extensive experiments demonstrate strong generation fidelity and consistent gains in downstream use cases, including generative data augmentation for LiDAR semantic segmentation and 3D object detection, as well as robustness evaluation under corruptions, with consistent benefits in limited-label regimes.