Conditional Generative Modeling

Procedural generation of music game levels is an exciting yet challenging problem, as levels must translate musical structure into interactive sequences of timed gameplay events. Most existing approaches formulate this task by frame-based representations, dividing audio into uniform time grids and predicting events at each frame. This makes gameplay events implicit across many frames. As a result, it is hard to describe event-level timing relations and longer-range structure found in human-authored levels. We use procedural generation as a practical setting to study how musical cues map to interactive event sequences. Inspired by event-based symbolic music modeling, we propose a token-level sequence formulation that casts level generation as a multimodal sequence-to-sequence problem. Conditioned on an audio excerpt and level metadata, the model generates a token sequence alternating gameplay-event and beat-shift tokens. This explicitly represents actions and their relative timing in beat space. Based on this formulation, we build a Transformer model. It outperforms representative frame-level baselines under event-level evaluation. It also enables systematic analysis of how audio supports rhythm-aligned event prediction beyond metadata conditioning.

The ability to generate variable-length proteins is crucial in protein design, where the optimal length is often unknown and tightly coupled to designability. Current diffusion- and flow-based generative models typically require the protein length to be specified before sampling, limiting their flexibility in exploring the feasible design space. To address this limitation, we introduce Generalized Poisson Flow (GPFlow), a variable-length generative framework that learns the rate function of an inhomogeneous generalized Poisson process by minimizing its negative log-likelihood. We establish population-level guarantees for recovering the joint multimodal distribution and derive an upper bound on the KL divergence between the data and generated distributions. We comprehensively evaluate GPFlow across structure and sequence design, motif scaffolding, and peptide co-design, spanning Euclidean, categorical, and Riemannian modalities to fully validate its variable-length generation quality. In unconditional design, GPFlow improves structural designability and achieves the best distributional fitness for sequence design compared to their corresponding fixed-length baselines, while perfectly recovering the length distribution. In conditional motif scaffolding, GPFlow ranks first on 10 of 16 structure-based design tasks with significantly more unique successes and also achieves more passed tasks in sequence-based design. In peptide co-design, GPFlow remains competitive even without access to a native-length oracle.

We present Clean2FX, a study and demo of label-conditioned clean-to-effect transformation for electric guitar audio. Given a clean guitar input and a target effect label, the task is to synthesize the corresponding effected signal while preserving the musical content. Training and evaluation pairs are constructed from EGFxSet real, single tone recordings by assembling matched clean/effected chords, melodies, and mixed timelines. This allows for controlled comparison across effects. We evaluate four neural approaches under a common spectrogram-based transformation setting: two variational autoencoders and two U-Net models that differ in whether they operate on linear or log-magnitude representations. Performance is measured using linear-magnitude spectrogram MSE and Fréchet Audio Distance. The U-Net models outperform the variational autoencoder variants. Per-effect results show that distortion effects are most readily improved, whereas delay and reverb effects exhibit weaker FAD gains despite substantial spectral-error reductions. A conditioning-sensitivity diagnostic provides evidence that the best model responds to target labels rather than collapsing to a single transformation. Our demo website compares two models applied on real-world guitar performances outside training and validation data, providing audio and spectrogram examples of the practical clean-to-effect behavior.

Current computational approaches for drug design typically focus on generating molecules conditioned on specific targets or general molecular properties, often neglecting the influence of disease context on target behavior and therapeutic outcomes. To address this gap, we introduce DrugGen-2, a novel generative model that designs small molecules conditioned on both disease ontology and target protein sequences. DrugGen-2 was developed by fine-tuning a pre-trained GPT-2 model on a curated dataset of approved drugs linked to their diseases and targets, using a two-step strategy of supervised fine-tuning followed by reinforcement learning via group relative policy optimization (GRPO). This process was guided by reward functions optimizing for chemical validity, novelty, diversity, and high predicted binding affinity. When evaluated on five protein targets relevant to diabetic nephropathy, DrugGen-2 significantly outperformed baseline models (DrugGPT and DrugGen). It demonstrated a superior capacity to generate unique molecules, exhibited greater structural similarity to approved drugs, and achieved improved predicted binding affinities across all targets. Molecular docking analyses further supported these findings, identifying candidate ligands with strong binding potential, including compounds with predicted affinities (-9.917, -9.485, and -9.367) exceeding those of reference drugs such as enalapril for angiotensin-converting enzyme (-8.283). By integrating disease-specific context into molecular generation, DrugGen-2 advances AI-assisted drug discovery, offering a powerful tool for de novo design and drug repurposing that accounts for the complex interplay between diseases and molecular targets.

Generating CT volumes from MRI and CBCT can improve treatment planning in adaptive radiotherapy while avoiding additional radiation exposure. However, direct regression of CT intensities is challenged by the inherently high dynamic range and long-tailed distributions, thereby averaging out sparse yet clinically important structures. To alleviate this issue, we reformulate the regression target into multiple windowed representations, leveraging the inductive prior that CT intensities are structure-deterministic and window-separable. These windowed views exhibit smoother distributions and admit structured fusion back to the full-range CT. Building on this reformulation, we introduce WING, a WINdow-prior-based Generative network comprising: 1) a new Gated Inception Generator to produce multi-window predictions, enabling multi-shape kernel interactions to capture cross-modality correspondence; 2) a Fuse-and-Refine Transformer to aggregate the windowed outputs and learn residuals for detail refinement; and 3) a joint adversarial training objective to enhance window-conditioned realism. Extensive experiments demonstrate that our compact WING achieves state-of-the-art performance on the MRI-to-CT and CBCT-to-CT benchmarks, while supporting multi-anatomy synthesis with a single model.

Utilities increasingly rely on planning and operational tools to cope with the increased penetrations of distributed energy resources, yet the lack of realistic, openly available datasets remains a major barrier for benchmarking and comparison. Traditional test feeders, and recently proposed large-scale synthetic networks alleviate this issue but are typically based on heuristic rules and do not learn directly from data. This paper proposes a generative framework based on Generative Adversarial Networks (GANs) to create power distribution network layouts using image-based representations. The model is trained on rasterised views of distribution systems and can operate in two modes: an unconditional configuration that learns layout patterns from the training dataset, and conditional configurations that incorporate geographical context such as street maps and the spatial distribution of consumers. The methodology includes dataset preparation from Geographic Information System (GIS) sources, GAN architecture design, and the analysis of training stability and image resolution. Results from three representative cases show that the proposed approach can reproduce the topologies of low (LV), medium (MV) and high voltage (HV) feeders and align generated layouts with underlying geographical structures. At the same time, the study reveals limitations related to training stability, resolution-dependent artefacts and limits, and the absence of explicit electrical constraints. The proposed framework constitutes a data-driven complement to existing synthetic network generation methods, and could be applied to propose distribution network layouts for the electrification of new areas. This would require future extensions towards power flow, electrically validated models.

Conditional generative models have emerged as powerful tools for sampling from target conditional distributions, driving substantial advances across a wide range of scientific and applied domains. As these models proliferate, practitioners often face multiple plausible generators whose performance can vary with the task, data, or input condition. We propose an optimal model averaging framework for conditional generative models, allowing candidate generators to be combined even when they are accessible only through conditional samples without tractable densities. Specifically, we use a sample-based maximum mean discrepancy between conditional distributions, which first leads to a static model averaging method, StaticMA, assigning fixed weights to different candidates. In addition, we develop MoEMA (mixture-of-experts model averaging), an input-adaptive method that parameterizes covariate-dependent weights through a softmax neural-network gate. We establish in-sample and out-of-sample asymptotic optimality for the proposed methods, together with consistency of the estimated adaptive weight function under regularity conditions. The framework applies directly to Euclidean responses and extends to unstructured data by combining our formulation with fixed representation maps. Across a broad set of simulations and real-data studies spanning tabular, image, and text modalities, MoEMA generally improves over competing baselines, demonstrating the effectiveness of our proposed methods.

This study presents a conditional Generative Adversarial Network (cGAN) framework for generating 3D porous media volumes with controlled porosity, trained exclusively on 2D thin section images. The key innovation lies in combining property-conditioned generation with 2D-to-3D reconstruction, eliminating the need for expensive 3D training data while maintaining control over petrophysical properties. The framework employs a hybrid architecture with a 3D generator and 2D discriminator, where multi-axis slice extraction enables learning 3D-consistent structures from 2D training data. Porosity labels are extracted using an Enhanced U-Net segmentation model. The methodology was demonstrated on two carbonate samples with different lithologies: dolomite-anhydrite and pure dolomite. Results show that the framework successfully generates realistic 3D volumes capturing lithological features such as anhydrite inclusions and fine crystalline textures. Porosity control achieved an $R^2$ of 0.93, with mean absolute errors of 0.019 and 0.010 for the heterogeneous and homogeneous samples, respectively.

Data assimilation models state dynamics conditioned on sequential observations, and has wide-ranging scientific applications. In the filtering setting, the goal is to model the posterior over the current state given all observations so far. Classical solutions typically make simplifying distributional or functional assumptions, e.g., linear-Gaussian systems, which can be inaccurate in many scenarios. In principle, particle filters (PFs) remove these assumptions, yet often collapse in high dimensions. Recent generative approaches learn conditional state transitions, but without principled Bayesian updates they do not recover the correct filtering posterior and can accumulate error over long horizons. In this work, we introduce Flow Proposal Particle Filters (FPPF), which learn a conditional generative model based proposal approximating the variance-minimizing optimal proposal for particle propagation. Conditioning on observations steers particles toward high-likelihood regions before weighting, reducing weight variance and delaying degeneracy. Since our proposal admits tractable likelihood evaluation, FPPF computes accurate importance weights and retains a Bayesian update step. We further extend FPPF to high-dimensional problems through localization strategies, adressing another standard PF failure mode. Extensive experiments on a variety of dynamical systems show that FPPF outperforms statistical baselines and other generative methods in non-linear, non-Gaussian, and high-dimensional regimes.

Self-conditioning is a core technique that enhances continuous flow-based language models, where the model learns to denoise generated text by conditioning on its own denoising estimate. While empirically successful, its performance improvements are poorly understood. Moreover, there is growing interest in the use of few-step generators based on flow maps, for which how to leverage self-conditioning is unclear. Here, we show that flow language models with self-conditioning perform a fixed-point iteration that improves generation through iterative refinement. We use this viewpoint to formulate fixed-point flows, a two-dimensional class of self-conditioned flows, where the first dimension represents the flow process and the second represents the fixed-point iteration. We show that fixed-point flows define valid flow maps, and show that they can be distilled from self-conditioned flow models by compressing both fixed-point iterations and the flow process, the former with fixed-point distillation and the latter with flow map distillation. Our resulting flow map language model, FMLM$^\star$, outperforms state-of-the-art self-conditioned models and few-step models in one- and few-step generation on OpenWebText. Code is available at https://github.com/Ugness/self-conditioned-fmlm.

Generating diverse, coherent, and plausible content from partially given inputs remains a fundamental challenge for diffusion models. Existing approaches face clear limitations: training-based approaches offer strong task-specific results but require costly computation, and they generalize poorly across tasks. Training-free approaches offer better efficiency, but they do not explicitly optimize over unobserved variables, leading to globally inconsistent results. To address these limitations, we introduce Accelerated Likelihood Maximization (ALM), a novel training-free sampling strategy integrated into the reverse diffusion process that significantly extends the applicability of diffusion models beyond simple generation tasks. Unlike previous methods that implicitly influence missing regions through pre-generated region constraints, we directly optimize the unobserved region during the sampling process, enabling globally coherent and plausible generation. Furthermore, we incorporate an acceleration strategy that significantly improves computational efficiency without sacrificing performance. Experimental results demonstrate that ALM consistently outperforms state-of-the-art methods in various data domains and tasks, establishing a powerful paradigm for versatile content generation.

Generative Astrodynamics is advanced in this work by extending generative modelling to an orbit determination problem in the cislunar environment. The task is formulated as conditional density estimation, aiming to infer the probability distribution of the initial state from angles-only measurements over short observation arcs. A normalising flow is trained on perturbed topocentric observations from Near Rectilinear Halo Orbits, enabling a flexible and potentially multimodal posterior representation. Given new measurements, the learned density is sampled to generate statistically consistent and physics-informed state hypotheses. These estimates are refined via nonlinear least-squares minimisation, providing a competitive warm start for classical algorithms.

Recent advances in diffusion models have shown impressive performance in controllable image generation and dense prediction tasks. However, existing approaches typically treat diffusion-based controllable generation and dense prediction as separate tasks, overlooking the potential benefits of jointly modeling the heterogeneous distributions. In this work, we introduce UniGP, a framework built upon MMDiT, which unifies controllable generation and dense prediction through simple joint training, without the need for complex task-specific designs or losses, while preserving the backbone's versatile priors. By learning controllable generation and prediction under different conditions, our model effectively captures the joint distribution of image-geometry pairs. UniGP is capable of versatile controllable generation, dense prediction, and joint generation. Specifically, the proposed UniGP consists of DUGP and a unified dataset training strategy. The former, following the principle of Occam's razor, uses only a copied image branch of MMDiT to model dense distributions beyond RGB, while the latter integrates heterogeneous datasets into a unified training framework to jointly model generation and perception tasks. Extensive experiments demonstrate that our unified model surpasses prior unified approaches and performs on par with specialized methods. Furthermore, we demonstrate that multi-task joint training provides complementary benefits: generative priors enrich perceptual details, while perceptual learning improves structural alignment in generation.

Emotional body motion expressions are an essential element of non-verbal communication. Effectively conveying these expressions through technology is of utmost importance, for example, with virtual reality avatars and in social robotics. Recent advances in generative models have opened new opportunities for advancing research on emotional body motion learning. However, generating accurate emotional expression representations is challenging, given the subtlety of emotional cues, individual variability, and cultural differences. We investigate whether a generative model can implicitly learn emotional body motions directly from culturally grounded motion-capture data, without explicit emotion-motion guidance. Using a dataset of emotional performances by 49 Japanese actors, we trained a Transformer-based generative model to generate expressive motions conditioned on 13 discrete emotion labels. We evaluate the generated motions from two perspectives: (1) an LSTM-based classifier to assess recognizability by machine observers, achieving a recognition accuracy of 22.80%, and (2) a human perception study with Japanese raters to assess alignment with human affective interpretations, yielding a recognition accuracy of 24.91%. Beyond these, we evaluate the utility of generative modeling for three practical tasks: augmenting emotion recognition models, extracting representative emotion-specific motion patterns, and synthesizing smooth transitions between emotion intensities. Our findings highlight the potential of implicit, data-driven generative modeling to enhance affective computing applications and our understanding of emotion expressions.

Speech-driven 3D facial animation methods face significant challenges in simultaneously achieving high-fidelity motion and precise artistic control at production quality. Existing controllable models typically learn global style control by relying on large-scale, low-quality \emph{in-the-wild} datasets that compromise overall animation realism. Furthermore, these frameworks often lack the fine-grained temporal precision required for demanding tasks such as dialogue localization (e.g., dubbing), where matching specific facial expressions is as critical as lip synchronization. We present KM-Speaker (Keypoint-Matching Speaker), a novel keypoint-conditioned flow-based generative framework that provides both global style guidance and frame-level temporal control from reference performances. We propose a disentanglement strategy that separates audio-driven lip motion from keypoint-driven upper-face dynamics, together with a global style context preservation mechanism to ensure coherent full-face expressiveness. KM-Speaker advances example-based 3D facial animation by achieving high-fidelity motion and flexible controllability in a data-constrained setting, consistently outperforming state-of-the-art methods in lip-sync accuracy, style adherence, and expressive temporal control.

Generating lifelike facial animation for dyadic conversations requires reconciling high-level cognitive intent with precise low-level motor reflexes, yet existing methods fall short in the semantic understanding of dialogue context and in precise dynamic control. In this paper, we propose MindFlow, a dual-pathway generative framework inspired by the Ventral-Dorsal pathway model in neuroscience, which decouples generation into two collaborative streams, thereby harmonizing deep semantic reasoning with fine-grained control. In the Ventral module, we transform the conventional Sentence-Action approach into a novel Chunk-State approach that models raw acoustic streams as a context-aware, evolving emotional state chain, capturing subtle paralinguistic nuances and mid-utterance emotional shifts missed by sentence-level modeling. The Dorsal module features a conditional autoregressive flow matching network for high-fidelity facial motion, driven by high-frequency acoustic cues and modulated by emotion states, plus a Selective Acoustic Injector for adaptive audio gating to ensure robustness in talking-and-listening dynamics without interference. Extensive experiments demonstrate that MindFlow achieves superior semantic appropriateness and motion naturalness compared to state-of-the-art baselines.

State-of-the-art flow models generate stunning images from text or image prompts. However, they suffer from diversity collapse when generating multiple samples under the same conditioning. Existing methods address this issue via either latent guidance, which has limited effectiveness, or sample selection, which relies on external reward models that incur significant inference-time overhead. In this work, we introduce an efficient, training-free self-guidance mechanism to mitigate diversity collapse without requiring additional reward models. Specifically, we disperse the internal features of the flow model during batch generation with feature self-guidance. Further, to keep the features close to the manifold, we introduce a manifold regularization step that projects these dispersed features back onto the data manifold, ensuring diverse generation without sacrificing alignment with the input conditions. Our method integrates seamlessly as a plug-and-play module into pretrained flow models, adding only a marginal inference cost. Experiments demonstrate significant improvements in diversity while preserving fidelity across several conditional flow models, including multi-step and few-step text-to-image, depth-to-image, and reference image generation.

Data preparation pipelines improve data quality in machine learning by transforming raw tables into learning-ready data through sequential cleaning and feature transformation operators. However, automatically constructing such pipelines is computationally difficult because operator sequences are combinatorial and end-to-end evaluation is expensive. Existing state-of-the-art (SOTA) Multi-DQN methods still face three key limitations: decoupled value estimators weaken long-horizon credit assignment, dataset context is only weakly injected into the policy, and exploration is inefficient in a sparse search space with many invalid states. To address these issues, we propose FlowPipe, a unified framework that formulates pipeline synthesis as conditional probabilistic flow generation over a directed acyclic graph. FlowPipe uses Conditional Generative Flow Networks (C-GFlowNets) with a Trajectory Balance objective to connect terminal validation rewards with early pipeline decisions. It further introduces Deep Semantic Modulation through Feature-wise Linear Modulation (FiLM), allowing LLM-derived logical priors to condition the policy's internal activations according to dataset semantics. In addition, FlowPipe incorporates failure awareness into the flow objective to avoid invalid states and concentrate search on high-potential regions. Experiments on two benchmark suites with 74 real-world datasets show that FlowPipe outperforms SOTA baselines, improving accuracy by 11.96% on average and achieving 12.5x faster training convergence. Source code is available at https://github.com/KunyuNi/FlowPipe.

Modeling and sampling from the underlying distribution of asynchronous event sequences are crucial in various real-world applications, including social networks, medical diagnosis, and financial transactions. Existing autoregressive methods suffer from error accumulation during multi-step generation, while non-autoregressive diffusion methods are typically limited to fixed-length output sequences. In this paper, we propose Latent Block-Diffusion Temporal Point Processes (LBDTPP), a novel semi-autoregressive TPP framework that introduces a latent block diffusion mechanism for high-quality and variable-length event sequence generation. The core idea is to define an autoregressive probability distribution over event blocks in latent space and perform Gaussian diffusion within each block. By sequentially generating blocks while simultaneously sampling events in each block, LBDTPP preserves the length flexibility of autoregressive TPPs and inherits the parallel high-quality generation capability of diffusion models. Theoretically, we derive Wasserstein error bounds showing that, under suitable local approximation and prefix-stability assumptions, block-wise generation can reduce error accumulation compared with event-wise autoregressive generation. Extensive experiments on six real-world benchmark datasets demonstrate that LBDTPP outperforms state-of-the-art TPP baselines in both unconditional and conditional generation tasks. Further empirical analyses verify the benefits of latent-space diffusion and block-wise generation, and reveal the trade-off between generation quality and block size. Our code is available at https://github.com/Zh-Shuai/LBDTPP.

Generative molecular models for drug design are a promising direction with much active research. In the next phase of computational drug design, such models will need to understand small molecule structure and protein-ligand interactions, and they will need to possess the machinery to generate molecules de novo. Incorporating each feature poses a critical challenge. Equally important, yet often treated as secondary, is the ability to grow a molecule from a partial starting point -- a scaffold or fragment supplied by a chemist -- which is the central operation of lead optimization. We present Sesame (Spatial Evoformer for a Structure-Aware Molecular Engine), a diffusion-based molecular generation model that leverages a novel spatial pairformer module to condition on partial molecular structure and the surrounding protein pocket, both expressed as continuous spatial density maps. This single conditioning mechanism supports both de novo generation and fragment-conditioned lead optimization, letting a medicinal chemist prune a hit to a scaffold and have Sesame grow it in productive ways. In addition to this module, we also introduce a diffusion framework for joint denoising of atom types, bond types, and positions, along with a trajectory finetuning scheme that trains on the model's own sampling rollouts to improve generation quality. Sesame is trained on a large corpus of ligand-only and protein-ligand datasets.

We introduce Human-AI Co-discovery system (HACO) for scientific algorithm discovery through cross-domain search and sparse human steering. Starting from the goal of generating crystal structures from chemical compositions, HACO searched across generative modeling methodologies from multiple fields and identified MaskGIT, a masked generative model from vision, as a promising framework for crystal structure prediction (CSP). HACO instantiated this masked formulation as a discrete token model of crystal structure; guided by sparse high-level human objectives, it then added crystallographic symmetry tokens, space group stratified sampling for polymorph coverage, and sub-bin coordinate refinement, yielding the Masked Generative Crystal Transformer (MaskGXT). On the MP-20 polymorph split, MaskGXT reaches 79.06% match-everyone-to-reference (METRe) accuracy, compared with 70.87% for the strongest evaluated baseline. MaskGXT also attains the best match rate on standard MP-20 and MPTS-52 CSP benchmarks. These results provide evidence that, in domains offering cheap, fast, and well-aligned validation, transfer-guided interactive AI co-scientists can contribute to scientific algorithm discovery by identifying transferable modeling principles and combining them with targeted human domain guidance.

UV parameterization is a fundamental step in 3D content creation, yet producing production-ready UV layouts remains challenging due to the gap between geometric distortion objectives and the stylistic preferences of professional artists. While classical methods optimize handcrafted energy functions, artist-authored UVs exhibit structural patterns such as straightened seams, axis-aligned islands, and flexible interior deformation, properties that are difficult to explicitly formulate. In this work, we present DreamUV, an end-to-end learning framework that formulates UV unwrapping as a generative Flow Matching problem. Rather than predicting a single optimal parameterization, DreamUV learns a mesh-conditioned transport process that maps noise samples to a distribution of artist-like UV layouts. To reflect real-world authoring practices, we introduce a boundary-aware training strategy that prioritizes seam geometry, and a Model-in-the-Loop Finetuning(MITL) scheme that explicitly accounts for discretization errors during sampling and stabilizes transport dynamics under heterogeneous supervision. We evaluate DreamUV on a large-scale dataset of professionally authored UV layouts. Experiments demonstrate that our method produces significantly straighter boundaries and tighter axis-aligned islands than both classical and learning-based baselines, while maintaining competitive distortion metrics. Qualitative results and a user study with professional artists further confirm that DreamUV generates UV layouts that are not only valid, but aligned with practical production requirements.

We introduce the first generative foundation model for chest radiograph synthesis trained from scratch at the billion-parameter scale. Existing radiographic AI models often suffer from poor generalisation across patient subpopulations, institutions, and acquisition settings, resulting in limited real-world clinical utility. Controlled, high-fidelity synthesis of chest radiographs is a promising path toward diversifying clinical datasets and evaluating the robustness of diagnostic models. Therefore, we present the largest specialist generative foundation model for chest radiographs to date, with over 1.3B parameters, trained for 1.6T tokens on a curated, heterogeneous dataset comprising 1.2M radiographs and clinical expert-guided metadata. Our model supports controllable radiograph generation and editing across multiple demographic subgroups, acquisition views, and a dozen pathologies. Moreover, we significantly advance the state of the art in radiograph synthesis fidelity, producing images that are indistinguishable from real radiographs to clinical experts.

Reliable generalization in conditional latent variable models requires understanding both identifiability and extrapolation: how observed variation across attributes determines latent structure, and how that structure determines distributions at unseen attributes. However, existing identifiability and extrapolation guarantees are largely model-specific, with separate analyses in nonlinear ICA, causal representation learning, perturbation modeling, and related conditional latent variable models. We introduce concept modulation models (CMMs), an attribute-indexed class of conditional generative models with structure $A\to Λ\to C\to X$, where attributes select modulators, modulators induce latent concept laws, and concepts generate observed features. CMMs lift transition-based identifiability to conditional settings by showing that feature agreement on observed attributes induces a latent concept transition constrained by the CMM class. We express these constraints through attribute potentials, log-density ratios between attribute-conditioned concept laws, separating the generic lifting step from model-specific rigidity arguments. The same potentials control extrapolation: agreement at unseen attributes holds exactly when the transported attribute-potential identities extend to those attributes. This yields algebraic extrapolation criteria, identifies the common potential-based proof objects behind several existing identifiability and extrapolation results, and, when combined with the model-specific rigidity arguments in those works, recovers their stated conclusions.

Whole-brain 4D fMRI generation is valuable for modeling functional brain dynamics, yet existing fMRI foundation models mainly target representation learning and downstream prediction rather than conditional predictive generation. We introduce BrainWorld, a structural-prior-conditioned generative model for whole-brain 4D fMRI dynamics. BrainWorld uses sMRI as subject-level anatomical context to guide future fMRI generation, integrating structural information into the denoising process rather than treating it as a parallel modality. Evaluated on 22 datasets spanning diverse cohorts and brain states, BrainWorld generates stable 4D fMRI trajectories up to 400 frames, improves downstream performance through generated-example augmentation, and learns transferable multimodal representations that outperform baselines. Together, these results establish BrainWorld as a condition-aware generative framework for long-horizon brain dynamics modeling and multimodal representation learning.

Inverse design of heterogeneous catalysts remains challenging because catalyst surfaces exhibit substantial structural complexity with coupled surface-adsorbate interactions across a vast chemical space that is difficult to explore efficiently through conventional screening alone. Although machine learning-based high-throughput screening has accelerated catalyst discovery, its efficiency inevitably declines as the search space grows, motivating the development of generative models that can directly construct catalysts with target properties. Here, we present a conditional catalyst generative model based on the Generative Pretrained Transformer architecture with a numerical embedding layer that enables the generation of catalyst structures conditioned on both categorical and continuous properties within a single autoregressive framework. The model was pretrained on 133 million catalyst structures and subsequently fine-tuned on approximately 460,000 optimized structures with associated categorical properties and binding energies for conditional generation. The resulting model achieved 98% structural validity, 95% optimization validity, and high categorical condition fidelity, with a 93 % joint match rate for adsorbate type and composition. For binding energy conditioning, the match rate of approximately 20% represents a four-fold improvement over the baseline training distribution, and the generated distributions shift systematically toward the target values, enabling a 1.5 to 4-fold improvement in screening efficiency for reaction-targeted catalyst discovery without additional fine-tuning. These results show that large-scale autoregressive pre-training, combined with explicit property conditioning, provides a practical route toward controllable catalyst generation and accelerated catalysts discovery.

Planar path synthesis requires mechanisms whose coupler curves match a prescribed trajectory; the mapping from curve to linkage is inherently one-to-many across four-, six-, and eight-bar topologies. We address this design problem with simulation-grounded evaluation on a curated corpus of over one million mechanisms, reporting Chamfer distance and dynamic time warping after forward kinematics and geometric alignment. We formulate synthesis as conditional autoregressive sequence modeling: joint coordinates are uniformly quantized to tokens and generated by a decoder-only transformer with a variational-autoencoder (VAE) latent of the target curve and an explicit mechanism-type token. Training combines token cross-entropy with a Gaussian-smoothed bin auxiliary loss that respects ordinal structure among bins. At inference, a bounded latent-noise schedule decodes all mechanism types at each noise level; we retain the top five candidates by geometric error, yielding diverse accurate families without dataset lookup. On held-out tests, aggregate mean Chamfer distance is $0.0132$ and mean dynamic time warping is $0.153$; a latent $k$-nearest-neighbor baseline that conditions on training-set neighbor latents in VAE space achieves matched-topology mean Chamfer distance $0.0071$ and mean dynamic time warping $0.117$ using the same decoder.

Generative robot policies typically begin action generation from an observation-independent standard Gaussian distribution, leaving the choice of source distribution underexplored. This work asks a simple question: where should action generation begin? We propose LeaP, a Learnable source Prior that replaces the standard Gaussian with a proprioception-conditioned diagonal Gaussian over action chunks. Parameterized by a lightweight MLP, LeaP jointly predicts the mean and state-adaptive variance of the source distribution, while keeping the downstream generator architecture and inference solver unchanged. This design provides an observation-informed yet stochastic initialization, allowing the generator to focus on precise action refinement rather than transporting samples from an uninformed noise source. On 15 RoboTwin manipulation tasks, LeaP achieves an average success rate of 81.6%, outperforming four representative baselines -- including deterministic-source methods, a no-prior counterpart, and a diffusion-bridge policy -- by 6.5 to 25.5 percentage points. The same prior consistently improves both flow-matching and diffusion-bridge generators, while using fewer parameters and converging faster. The advantage carries over to real-world deployment, where LeaP attains the best performance. These results suggest that the source distribution is an independent and reusable design axis for generative robot policies, complementary to the choice of generative dynamics.

Antimicrobial resistance causes to over a million deaths annually. Antimicrobial peptides (AMPs) are a promising solution, but generative AMP models are not yet ready to design peptides with non-natural amino acids and/or chemical modifications, which are essential for real-world peptide drugs. We present AMPGAN v3, a multi-objective conditional GAN that expands the generative vocabulary to D-amino acids and N/C-terminus modifications such as amidation. By separating adversarial and activity-aware supervision across two specialized discriminators, AMPGAN v3 substantially improves training stability and outperforms prior generative AMP models on external classifiers. We validated five candidates spanning three structural classes in vitro; two showed activity against Gram-positive strains, with the best candidate reaching MIC 8 μg/mL against B. subtilis. To support downstream curation, we further present PepCraft, a multi-agent framework for end-to-end AMP discovery in which a Planning Agent orchestrates specialized executors for generation, filtering, and verification. Its prioritization recommendations align with our in vitro outcomes. Together, these contributions let us examine, on a small but real scale, how generative and agentic AI compose in therapeutic peptide discovery. Code: https://github.com/marszzibros/AMPGANv3

We present Unified Motion-Action (UMA) Model, an approach that uses 3D object motion trajectories as a shared interface to bridge visuomotor control and dynamics modeling. UMA treats object motion and robot actions as co-evolving variables under a masked generative objective, in which the mask pattern determines both the supervision regime during pretraining and the inference mode at deployment. Using hindsight-relabeled motion contexts and a contrastive objective that disentangles task intent from scene geometry, UMA enables multi-task pretraining across heterogeneous data sources without requiring manually annotated task instructions. At deployment, the same pretrained parameters support motion-conditioned visuomotor control, motion-based dynamics modeling, and task adaptation from few-shot demonstrations. Pretrained on a mixture of robot demonstrations, human videos, and simulated data, UMA consistently outperforms state-of-the-art baselines specialized for each inference mode.