Constrained Generative Modeling

Latest papers 90

Jun 22, 2026cs.CV

Arbor: Explicit Geometric Conditioning for Controllable 3D Asset Generation

Text and image conditioned 3D models now generate convincing assets, but they still offer little direct control over the space an object should occupy or avoid. In authoring, this spatial intent is often known before generation starts. A chair should fit a seating envelope, a prop should leave clearance for motion, or a part should expose a contact surface. Prompts and image views are poor carriers for such constraints, requiring the need for an explicit control interface. We present Arbor, a trainable attachment for text conditioned latent 3D generation. Arbor introduces constraint meshes as a native 3D control interface. The interface uses hull regions where geometry should exist, avoidance regions that should remain empty, and touch regions the object should contact. Unlike completion or whole object scaffold control, these meshes are not target evidence. They are local typed requirements and can include regions where no surface should appear. Arbor keeps this signal as geometry by converting constraint meshes into tokens and learning a routed attachment inside a frozen denoiser. Each latent region can therefore receive the part of the constraint that matters for its spatial location. We evaluate Arbor on automatic and artist curated control benchmarks with hull, avoidance, and touch constraints, and compare the metric trends to a user preference study. Even without dedicated compliance losses, Arbor improves constraint obedience while preserving object quality and variation under fixed constraints.
Jun 15, 2026cs.CV

Learning a Maximum Entropy Model for Visual Textures using Diffusion

Visual textures -- spatially homogeneous image regions containing repeated elements (e.g. a field of grass, the bark of a tree) -- are ubiquitous in visual scenes and provide important cues for recognizing and analyzing materials and objects. A number of existing texture models extract essential statistics from a single texture image, and can then generate high-quality samples that are visually similar to the original by matching these statistics. However, their statistics are either hand-designed or based on a network pretrained for another purpose (e.g., object recognition). Here, we develop the first principled method for unsupervised learning of a set of statistics that are used to constrain a maximum entropy probability model. We leverage methods developed for generative diffusion models to derive training and sampling procedures, and compare these to the traditional method of sampling via matching the statistics. Despite the compactness of our trained model (512 statistics), it generates texture images whose quality is as good as or better than the current state-of-the-art model (~177k statistics). A more direct comparison of the two models, obtained by synthesizing images that are indistinguishable for one model but maximally different for the other, reveals their relative strengths and weaknesses. Finally, we show that unlike previous statistical texture models, a straight trajectory in the representation space of our model generates homogeneous texture samples that interpolate smoothly between the features of the two end points.
Jun 15, 2026cs.LG

Constrained Diffusion Models with Primal-Dual Inference

This paper develops constrained diffusion models with primal-dual inference (PDI) to sample from optimal distributions of entropy-regularized optimization problems with \emph{average} constraints. We formalize constrained sampling in the Lagrangian dual domain, where the optimal distribution takes the form of a Gibbs distribution indexed by the optimal dual variable. Rather than estimating this dual multiplier before sampling and freezing it throughout generation, PDI jointly infers the optimal primal distribution and its parametrizing dual variable. Each reverse diffusion step denoises using the score field associated with the current multiplier and then updates the multiplier through dual ascent using the estimated constraint violation of the denoised samples. To enable this conditional score field, we train a single dual-conditioned score network over the family of Gibbs distributions induced by the dual variables encountered during inference. We prove that the time average of the dual variables generated along the inference trajectory converges to a neighborhood of the dual optimum and bound the effect of residual dual mismatch on the terminal distribution through schedule-dependent stability factors. We evaluate PDI on constrained sampling from a mixture of Gaussians, wireless resource allocation, and portfolio management.
Jun 11, 2026cs.LG

PolyFlow: Safe and Efficient Polytope-Constrained Flow Matching with Constraint Embedding and Projection-free Update

While flow-based generative models have demonstrated strong performance across a wide range of domains, deploying them in safety-critical physical systems remains challenging due to strict constraint requirements. Existing approaches typically enforce safety through post-hoc corrections, which incur substantial computational overhead and may distort the learned distribution. We propose PolyFlow, a polytope-constrained flow matching framework that embeds constraints directly into the model and flow dynamics. PolyFlow introduces a discrete-time flow formulation and a projection-free architecture, which eliminate the discretization error and guarantee strict satisfaction of arbitrary polyhedral constraints, without the need for expensive iterative solvers. Experimental results show that PolyFlow achieves zero constraint violation while maintaining high distributional fidelity across a range of planning and control tasks. Compared to state-of-the-art constrained generation baselines, PolyFlow significantly reduces inference latency and demonstrates a favorable trade-off between safety, efficiency, and generative quality. Code is available on https://github.com/MJianM/PolyFlow.
Jun 9, 2026cs.LG

UPLOTS: A Unified Pretrained Language Model for Constrained Time-series Generation

In time-series generation, existing approaches typically handcraft ortrain a separate model for each dataset, which hinders their scalability and fails to leverage shared temporal structures across domains. To address this fragmentation, we propose UPLOTS, a Unified, Prompt-guided Language model framework fOr constrained Time-Series Generation across diverse domains. Instead of building task-specific models, UPLOTS leverages a single pre-trained transformer backbone guided by learned constraint prompts, enabling on-demand generation with precise pattern control. One key innovation is our dynamic multi-dataset loss re-weighting and prompt-to-pattern mapping, which allows UPLOTS to internalize diverse temporal structures during training and conditionally generate them at inference. We evaluate UPLOTS on four real-world benchmarks and multiple constraint settings, including peak-period, calendar, load-level, and volatility patterns. Additional held-out constraint-combination and downstream forecasting experiments further demonstrate that UPLOTS generalizes beyond the original peak-pattern setting and improves data augmentation under scarce real-data regimes. Our code and baselines are available at github repo: https://github.com/cruiseresearchgroup/UPLOTS.
Jun 8, 2026cs.LG

Physics-informed generative AI for semiconductor manufacturing: Enforcing hard physical constraints in generative models by construction

Generative models are increasingly used to propose designs, data, and control actions for physical systems, yet many such systems are governed by hard physical constraints rather than by perceptual plausibility. Semiconductor manufacturing provides a demanding test case: generated masks, layouts, synthetic defect data, and process recipes must obey lithography, transport, reaction, and device-physics constraints, because physically invalid samples are not merely low quality but unusable. This Perspective argues that semiconductor manufacturing exposes a broader computational-science challenge, namely that generative AI for constrained physical domains must be physics-informed by construction, not corrected only through post-hoc filtering. We survey the emerging architectural toolkit, including physics-informed diffusion, PDE-constrained variational models, neural-operator priors, and conservation-law-respecting generative networks, and show how it connects to differentiable lithography, TCAD, process simulation, and autonomous experimentation. We identify four integration patterns between generative models and physics-based simulators, and we propose a research agenda centered on physics-fidelity benchmarks, differentiable simulator infrastructure, and multimodal foundation models for physical design and manufacturing. The central claim is analytical rather than rhetorical: where physical validity is the binding criterion of success, architectures that enforce it by construction should be expected to outperform those that filter for it after the fact, and the fab is the setting where this distinction is sharpest.
Jun 3, 2026cs.LG

The Right Measure for Physics-Constrained Generation: A Co-Area Correction for Posterior-Consistent PDE Inverse Problems

Generative models -- diffusion and flow matching -- are increasingly used to solve partial differential equation (PDE) inverse problems, enforcing the governing physics as a \emph{hard constraint} (via projection or guidance) and reporting the resulting samples as a Bayesian posterior with calibrated uncertainty. We show that this widely adopted recipe samples the wrong distribution. Conditioning a generative prior on a hard PDE constraint is conditioning on a measure-zero manifold -- an operation that is intrinsically ambiguous (the Borel--Kolmogorov paradox) and whose physically correct resolution, the small-residual-noise limit, carries a co-area (Fixman) Jacobian factor [det(JJ⊤)]−1/2[det(JJ^{\top})]^{-1/2} that projection- and guidance-based methods silently omit. We make the bias precise, show that it grows with the heterogeneity of the constraint sensitivity, and validate it on controlled problems against an \emph{i.i.d.} ground-truth arbiter. The omitted factor is not a second-order detail: removing it inflates the posterior error to 20×20\times the sampling-noise floor; minimal-displacement projection (as in PCFM) is biased at 9×9\times the floor; and a naive scalar reweighting does not fix it. We introduce \textbf{CoCoS}, a measure-aware constrained sampler that targets the correct co-area posterior, and show that it matches the gold-standard posterior to within sampling noise. Our results imply that satisfying the physics'' is not the same as sampling the posterior,'' and give a principled correction for uncertainty-aware scientific inference.
Jun 1, 2026cs.CL

Mitigating Bias in Locally Constrained Decoding via Tractable Proposals

Generations from large language models often fail to conform to desired constraints such as JSON schema. Existing locally constrained decoding (LCD) approaches enforce constraints by myopically masking out next tokens, resulting in biased sampling and degradation in performance. Recent work uses sequential Monte Carlo (SMC) methods to mitigate such biases, but designing effective proposal distributions or potential functions remains a key challenge. In this work, we propose a generic approach to construct proposals and potentials for SMC sampling from plm(⋅∣constraint)p_{\mathrm{lm}}( \cdot \mid \mathrm{constraint}). First, we show that constraints specified as finite automata can be tensorized for efficient execution on GPUs, which we use to construct globally constrained decoding (GCD) proposals. In addition, leveraging the fact that tensorized finite automata share the same circuit structure as hidden Markov models, we circuit-multiply them to obtain the probabilistic GCD (P-GCD) proposals encoding both logical and probabilistic information about the target distributions. We evaluate (P-)GCD on the tasks of function calling, keyword-based generation, and SQL generation. Experiments show that under the same SMC sampling setup, compared to LCD proposals, (P-)GCD converges faster to the target distribution with significantly fewer particles.
May 28, 2026cs.LG

Constrained Flow Optimization via Sequential Fine Tuning for Molecular Design

Adapting generative foundation models, in particular diffusion and flow models, to optimize given reward functions (e.g., binding affinity) while satisfying constraints (e.g., molecular synthesizability) is fundamental for their adoption in real-world scientific discovery applications such as molecular design or protein engineering. While recent works have introduced scalable methods for reward-guided fine-tuning of such models via reinforcement learning and control schemes, it remains an open problem how to algorithmically trade-off reward maximization and constraint satisfaction in a reliable and predictable manner. Motivated by this challenge, we first present a rigorous framework for Constrained Generative Optimization, which brings an optimization viewpoint to the introduced adaptation problem and retrieves the relevant task of constrained generation as a sub-case. Then, we introduce Constrained Flow Optimization (CFO), an algorithm that automatically and provably balances reward maximization and constraint satisfaction by reducing the original problem to sequential fine-tuning via established, scalable methods. We provide convergence guarantees for constrained generative optimization and constrained generation via CFO. Ultimately, we present an experimental evaluation of CFO on both synthetic, yet illustrative, settings, and a molecular design task. Across these evaluations, CFO achieves consistent increases in reward while ensuring high constraint satisfaction, showcasing its practical utility for constrained generative optimization.
May 20, 2026cs.AI

Conflict-Aware Additive Guidance for Flow Models under Compositional Rewards

Inference-time guided sampling steers state-of-the-art diffusion and flow models without fine-tuning by interpreting the generation process as a controllable trajectory. This provides a simple and flexible way to inject external constraints (e.g., cost functions or pre-trained verifiers) for controlled generation. However, existing methods often fail when composing multiple constraints simultaneously, which leads to deviations from the true data manifold. In this work, we identify root causes of this off-manifold drift and find that the approximation error scales severely with gradient misalignment. Building on these findings, we propose Conflict-Aware Additive Guidance (gcarg^\text{car}), a lightweight and learnable method, which actively rectifies off-manifold drift by dynamically detecting and resolving gradient conflicts. We validate gcarg^\text{car} across diverse domains, ranging from synthetic datasets and image editing to generative decision-making for planning and control. Our results demonstrate that gcarg^\text{car} effectively rectifies off-manifold drift, surpassing baselines in generation fidelity while using light compute. Code is available at https://github.com/yuxuehui/CAR-guidance.
May 16, 2026cs.CL

Constrained Code Generation with Discrete Diffusion

Discrete diffusion models are a powerful, emerging paradigm for code generation. They construct programs through iterative refinement of partially corrupted token sequences and enable parallel token refinement. Importantly, this paradigm exposes a global program state at each denoising step, which provides a natural intervention point for enforcing program-level functionality and security constraints, guiding the generation before the final code is committed. Building on this observation, the paper introduces Constrained Diffusion for Code (CDC), a training-free neurosymbolic inference framework that integrates constraint satisfaction directly into the reverse denoising process. CDC augments the base discrete diffusion sampler with constraint-aware denoising operators that combine mathematical optimization with program analysis to identify constraint-relevant regions of the intermediate program state and locally adjust the denoising trajectory, steering generation toward feasible programs while remaining close to the base model. Across code generation benchmarks, CDC consistently improves constraint satisfaction in functional correctness, security, and even syntax, outperforming discrete diffusion and autoregressive baselines with less corrective computation and more localized edits.
May 15, 2026cs.GR

StippleDiffusion: Capacity-Constrained Stippling using Controlled Diffusion

Stipple patterns, point sets whose local density tracks a target image, are traditionally produced by per-density iterative optimizers, which are slow, non-differentiable, and must be re-run from scratch for each new target. Learned alternatives have so far addressed only unconditional point generation; capacity-constrained, image-conditioned stippling has remained out of reach. We present the first diffusion-based sampler that simultaneously satisfies a learned local point-distribution prior and a continuous, image-defined capacity constraint at inference. The method is a ControlNet branch built on top of an optimal-transport-grid point-set diffusion baseline, conditioned on the target density map and a high-resolution image. Two design choices make the combination tractable: training and inference are restricted to the late-stage denoising regime, initialized from a density-weighted rejection sample, and the standard zero-convolution injection is replaced with a sigmoid-gated 1x1 projection that preserves the base model's blue-noise structure under hard density signals. A single trained checkpoint accepts arbitrary target densities at inference, generalizes to point budgets that were not seen during training, and produces stipples in time nearly independent of the output point count. On the Icons-50 benchmark, our learned sampler reaches parity with per-density-optimized baselines on every reported metric while remaining differentiable end-to-end.
May 13, 2026cs.CL

Generative Floor Plan Design with LLMs via Reinforcement Learning with Verifiable Rewards

An AI system for professional floor plan design must precisely control room dimensions and areas while respecting the desired connectivity between rooms and maintaining functional and aesthetic quality. Existing generative approaches focus primarily on respecting the requested connectivity between rooms, but do not support generating floor plans that respect numerical constraints. We introduce a text-based floor plan generation approach that fine-tunes a large language model (LLM) on real plans and then applies reinforcement learning with verifiable rewards (RLVR) to improve adherence to topological and numerical constraints while discouraging invalid or overlapping outputs. Furthermore, we design a set of constraint adherence metrics to systematically measure how generated floor plans align with user-defined constraints. Our model generates floor plans that satisfy user-defined connectivity and numerical constraints and outperforms existing methods on Realism, Compatibility, and Diversity metrics. Across all tasks, our approach achieves at least a 94% relative reduction in Compatibility compared with existing methods. Our results demonstrate that LLMs can effectively handle constraints in this setting, suggesting broader applications for text-based generative modeling.
May 13, 2026cs.AI

Learning Local Constraints for Reinforcement-Learned Content Generators

Constraint-based game content generators that learn local constraints from existing content, such as Wave Function Collapse (WFC), can generate visually satisfying game levels but face challenges in optimizing global properties, such as playability. On the other hand, reinforcement-learning-trained generators can optimize global properties---because such properties can easily be included in reward functions---but the results can be visually dissatisfying. In this paper, we explore ways to combine these methods. Specifically, we constrain the action space of a PCGRL generator with constraints learned by WFC, effectively allowing the PCGRL generator to achieve global properties while being forced to adhere to local constraints. To better analyze how this hybrid content generation method operates, we vary the number and type of inputs, and we test whether to randomly collapse the starting state and exclude rare patterns. While the method is sensitive to hyperparameter tuning, the best of our trained generators produce visually satisfying and playable puzzle-platform game levels---such as Lode Runner levels---with desired global properties.
May 12, 2026cs.LG

Constraint-Aware Flow Matching: Decision Aligned End-to-End Training for Constrained Sampling

Deep generative models provide state-of-the-art performance across a wide array of applications, with recent studies showing increasing applicability for science and engineering. Despite a growing corpus of literature focused on the integration of physics-based constraints into the generation process, existing approaches fail to enforce strict constraint satisfaction while maintaining sample quality. In particular, training-free constrained sampling methods, while providing per-sample feasibility guarantees, introduce a fundamental mismatch between the training objective and the constrained sampling procedure, often leading to performance degradation. Identifying this training-sampling misalignment as a central limitation of current constrained generative modeling approaches, this paper proposes Constraint-Aware Flow Matching, a novel end-to-end framework that explicitly incorporates constraint projections into the training objective. By aligning the model's learned dynamics with the constrained sampling process, the proposed method mitigates distributional shift induced by projection-based corrections, enabling high-quality constrained generation. The proposed approach is evaluated on three challenging real-world benchmarks, illustrating the generality and efficacy of the method.
May 11, 2026cs.LG

Enforcing Constraints in Generative Sampling via Adaptive Correction Scheduling

Hard constraints in generative sampling are typically enforced by projection, applied either once at the end of sampling or after every update. This binary framing overlooks a fundamental issue: projection changes the distribution of states which future updates depend on. As a result, delayed projection can produce samples that are feasible but inconsistent with the intended sampling dynamics, even after final projection. We formalize constraint enforcement as a correction scheduling problem over the generative rollout. Using one-step constraint defect as a local signal of geometric mismatch, we introduce adaptive correction scheduling, a state-dependent policy that allocates projection budget to the steps that most strongly perturb the trajectory. Terminal and stepwise projection arise as limiting cases of this family. Across controlled manifold rollouts and a learned projected diffusion sampler, adaptive scheduling improves the cost-accuracy frontier at matched projection budgets, recovering 71.2% of full stepwise benefit with 75% fewer corrections. These results show that constraint timing is a first-class design variable in generative sampling, and that enforcing feasibility alone is insufficient to preserve the intended constrained sampling dynamics.
May 10, 2026cs.AI

Primal-Dual Guided Decoding for Constrained Discrete Diffusion

Discrete diffusion models generate structured sequences by progressively unmasking tokens, but enforcing global property constraints during generation remains an open challenge. We propose primal-dual guided decoding, an inference-time method that formulates constrained generation as a KL-regularised optimisation problem and solves it online via adaptive Lagrangian multipliers. At each denoising step, the method modifies token logits through an additive, constraint-dependent bias, with multipliers updated by mirror descent based on constraint violation. The bias arises as the optimal KL-regularised projection of the constraint, so the constrained distribution remains as close as possible to the model's unconstrained distribution while still satisfying the constraint. The method requires no retraining and no additional model evaluations beyond standard sampling, supports multiple simultaneous constraints, and provides formal bounds on constraint violation. We evaluate our approach on topical text generation, molecular design, and music playlist generation, showing that a single algorithm instantiated via domain-specific scoring functions improves constraint satisfaction while preserving relevant domain-specific quality metrics.
May 8, 2026cs.CV

Towards Highly-Constrained Human Motion Generation with Retrieval-Guided Diffusion Noise Optimization

Generating human motion that satisfies customized zero-shot goal functions, enabling applications such as controllable character animation and behavior synthesis for virtual agents, is a critical capability. While current approaches handle many unseen constraints, they fail on tasks with very challenging spatiotemporal restrictions, such as severe spatial obstacles or specified numbers of walking steps. To equip motion generators for these highly constrained tasks, we present a retrieval-guided method built on the training-free diffusion noise optimization framework. The key idea is to search within large motion datasets for guidance that can potentially satisfy difficult constraints. We introduce relational task parsing to group target constraints and identify the difficult ones to be handled by retrieved reference. A better initialization for diffusion noise is then obtained via a reward-guided mask that combines random noise with retrieved noise. By optimizing diffusion noise from this improved initialization, we successfully solve highly constrained generation tasks. By leveraging LLM for relational task parsing, the whole framework is further enabled to automatically reason for what to retrieve, improving the intelligence of moving agents under a training-free optimization scheme.
May 8, 2026cs.AI

Exact Regular-Constrained Variable-Order Markov Generation via Sparse Context-State Belief Propagation

Variable-order Markov models generate sequences over a finite alphabet by conditioning each symbol on the longest available suffix of the generated history. Regular constraints, by contrast, describe finite-horizon control requirements by an automaton: fixed positions, forced endings, metrical patterns, and forbidden copied fragments are all special cases. Existing exact methods already handle regular constraints with belief propagation for first-order Markov chains. The contribution here is the variable-order extension: identifying the state space on which the existing BP-regular machinery must be run when the generator is a variable-order/backoff model. A first-order constraint layer can enforce useful support conditions, but it computes future mass after merging histories that a variable-order generator deliberately keeps distinct. We formalize this mismatch and give the sparse construction obtained by replacing the first-order Markov state with the observed context state, then taking the standard product with the regular constraint automaton. For a fixed trained context graph and automaton, inference is linear in the sequence horizon; in general it is polynomial in the number of reachable product edges. This gives the correct variable-order distribution conditioned on regular constraints without expanding to all K-tuples. The same finite-source interface supports reversible data augmentation by inverse count lookup, matching materialized transposition augmentation without storing transformed corpora. We also separate exact BP inference from generation-time backoff policies, such as singleton avoidance, whose stochastic semantics must be made explicit if exactness is claimed.
Apr 26, 2026cs.AR

FlowPlace: Flow Matching for Chip Placement

Chip placement plays an important role in physical design. While generative models like diffusion models offer promising learning-based solutions, current methods have the following limitations: they use random synthetic data for pre-training, require long sampling times, and often result in overlaps due to their dependence on gradient-based solvers during the sampling process. To overcome these issues, we propose FlowPlace, which features mask-guided synthetic data generation, flow-based efficient training with flexible prior injection, and hard constraint sampling for overlap-free layouts. Experiments on OpenROAD and ICCAD 2015 benchmarks show FlowPlace achieves better PPA metrics, 10-50×\times faster sampling efficiency, and zero overlaps.
Apr 24, 2026cs.CV

BrickNet: Graph-Backed Generative Brick Assembly

We train a language model to generate LEGO-brick build sequences. While prior work has been restricted to discrete, voxel-like towers, we consider a much broader set of pieces, encompassing thousands of part types with diverse connection semantics. To enable this, we first collect a large-scale dataset of over 100,000 human-designed LDraw brick objects and scenes. The complexity of our setting makes it challenging to autoregressively assemble structures that satisfy physical constraints. When predicting block pose directly, build sequences quickly become invalid after a small number of steps. Although pieces are placed in 3D space, it is the spatial relationships of the parts which define the whole. With this in mind, we design a graph-based program representation that parametrizes structure through connectivity, improving the physical grounding of generated sequences. To enable future applications, we make our dataset and models available for research purposes. https://kulits.github.io/BrickNet
Apr 20, 2026cs.CV

UniCSG: Unified High-Fidelity Content-Constrained Style-Driven Generation via Staged Semantic and Frequency Disentanglement

Style transfer must match a target style while preserving content semantics. DiT-based diffusion models often suffer from content-style entanglement, leading to reference-content leakage and unstable generation. We present UniCSG, a unified framework for content-constrained, style-driven generation in both text-guided and reference-guided settings. UniCSG employs staged training: (i) a latent-space semantic disentanglement stage that combines low-frequency preprocessing with conditioning corruption to encourage content-style separation, and (ii) a latent-space frequency-aware detail reconstruction stage that refines details via multi-scale frequency supervision. We further incorporate pixel-space reward learning to align latent objectives with perceptual quality after decoding. Experiments demonstrate improved content faithfulness, style alignment, and robustness in both settings.
Apr 20, 2026cs.LG

Efficient Diffusion Models under Nonconvex Equality and Inequality constraints via Landing

Generative modeling within constrained sets is essential for scientific and engineering applications involving physical, geometric, or safety requirements (e.g., molecular generation, robotics). We present a unified framework for constrained diffusion models on generic nonconvex feasible sets ΣΣ that simultaneously enforces equality and inequality constraints throughout the diffusion process. Our framework incorporates both overdamped and underdamped dynamics for forward and backward sampling. A key algorithmic innovation is a computationally efficient landing mechanism that replaces costly and often ill-defined projections onto ΣΣ, ensuring feasibility without iterative Newton solves or projection failures. By leveraging underdamped dynamics, we accelerate mixing toward the prior distribution, effectively alleviating the high simulation costs typically associated with constrained diffusion. Empirically, this approach reduces function evaluations and memory usage during both training and inference while preserving sample quality. On benchmarks featuring equality and mixed constraints, our method achieves comparable sample quality to state-of-the-art baselines while significantly reducing computational cost, providing a practical and scalable solution for diffusion on nonconvex feasible sets.
Apr 17, 2026cs.CL

DALM: A Domain-Algebraic Language Model via Three-Phase Structured Generation

Large language models compress heterogeneous knowledge into a single parameter space, allowing facts from different domains to interfere during generation. We propose DALM, a Domain-Algebraic Language Model that replaces unconstrained token generation with structured denoising over a domain lattice. DALM follows a three-phase generation path: it first resolves domain uncertainty, then relation uncertainty, and finally concept uncertainty, so each stage operates under explicit algebraic constraints. The framework requires only three ingredients: a lattice of domains with computable meet, join, and implication; a typing function over relations that controls inheritance across domains; and a fiber partition that localizes knowledge to domain-specific subsets. Given these ingredients, DALM yields a three-phase encoder-decoder architecture in which generation is confined to a domain fiber, cross-domain contamination is structurally prevented in closed-vocabulary mode and auditably bounded in open-vocabulary mode, and a single query can produce a domain-indexed multi-perspective answer space. We instantiate the framework with the CDC knowledge representation system and outline training and evaluation on validated domain-annotated crystal libraries. DALM reframes language generation as algebraically constrained structured denoising rather than unconstrained decoding over a flat token space.
Apr 16, 2026cs.CL

Schema-Key Wording as an Instruction Channel in Structured Generation under Constrained Decoding

Constrained decoding is widely used to make large language models produce structured outputs that satisfy schemas such as JSON. Existing work mainly treats schemas as structural constraints, overlooking that schema-key tokens also enter the autoregressive context and may guide generation. To the best of our knowledge, we present the first systematic study of schema keys as an implicit instruction channel under constrained decoding. We formulate structured generation as a multi-channel instruction problem, where task signals can be placed in prompts, schema keys, or both. We further provide a projection-aware analysis that gives a sufficient condition under which an unconstrained expected-score advantage of an instructional key is preserved after grammar projection. Experiments on GSM8K and Math500 across seven language models show that changing only schema-key wording can substantially affect accuracy, with both positive and negative effects across models. Prompt-level and schema-level instructions also interact non-additively. The evidence is substantially stronger on GSM8K than on Math500. Our findings show that schema design is not merely output formatting, but part of instruction specification in structured generation.
Mar 1, 2026cs.CL

Suffix-Constrained Greedy Search Algorithms for Causal Language Models

Large language models (LLMs) are powerful tools that have found applications beyond human-machine interfaces and chatbots. Beside free-form generation, there has been an interest in constrained generation, a setting where LLMs are constrained to generate well-formed outputs with respect to the language defined by a formal grammar. Although appealing, this setting may be over restrictive for downstream applications. For example, many LLM tasks require the model to reason freely before generating its final response in a specific format. In this work, we introduce suffix-constrained generation, a constrained generation setting in which only the end of the response is constrained by a grammar, a scenario that is not supported by existing constrained generation methods. We introduce several suffix-constrained generation algorithms that are based on greedy search. We experiment on several datasets, and show that our approach allows to guarantee suffix constraints without having a negative impact on results, and even improving them in many settings.
Feb 18, 2026cs.LG

Neural Proposals, Symbolic Guarantees: Neuro-Symbolic Graph Generative Modeling

While deep generative models excel at capturing graph data distributions, they struggle to satisfy complex, hard constraints. In unconstrained settings, these models typically produce valid topologies; yet imposing strict compositional rules, like those in drug discovery, creates an out-of-distribution (OOD) setting where purely neural methods frequently fail. Because these neural approaches rely on soft conditioning and post-hoc filtering on such tasks, they cannot provide the formal guarantees needed for high-stakes domains. To address this, we introduce Neuro-Symbolic Graph Generative Modeling (NSGGM), a framework built on the principle of Neural Proposals, Symbolic Guarantees. NSGGM decouples generation: an autoregressive model proposes structural scaffolds, and a Satisfiability Modulo Theories (SMT) solver handles the final discrete assembly of the proposed substructures. Empirically, NSGGM is competitive with state-of-the-art methods on unconstrained tasks. To evaluate logical-constraint satisfaction inspired by real drug discovery workflows, we introduce MolSAT, a benchmark for hard compositional rules. On MolSAT, purely neural baselines completely fail OOD (0% satisfaction with zero training support), while NSGGM achieves >95% satisfaction in-distribution and 64-86% with zero training support.
Feb 8, 2026cs.CL

The Hidden Cost of Structured Generation in LLMs: Draft-Conditioned Constrained Decoding

Large language models (LLMs) are increasingly used to generate executable outputs, JSON objects, and API calls, where a single syntax error can make the output unusable. Constrained decoding enforces validity token-by-token via masking and renormalization, but it can distort generation when the model assigns low probability mass to valid continuations, pushing decoding toward locally valid yet semantically incorrect trajectories. We propose \emph{Draft-Conditioned Constrained Decoding (DCCD)}, a simple two-step, training-free inference procedure that decouples semantic planning from structural enforcement: an unconstrained draft is generated first, and constrained decoding is then applied, conditioned on this draft, to guarantee validity. We analyze DCCD through a KL-projection view, showing that draft conditioning increases feasible mass and reduces the cumulative "projection tax" induced by hard constraints, with an optional best-of-KK draft selection. Across structured reasoning benchmarks, DCCD improves strict structured accuracy by up to +24 percentage points over standard constrained decoding (e.g., 15.2% to 39.0% on GSM8K with a 1B model), and enables smaller model pairs to match or exceed much larger constrained baselines, yielding substantial gains in parameter efficiency.
Jan 30, 2026cs.LG

Manifold-Aware Perturbations for Constrained Generative Modeling

Generative models have enjoyed widespread success in a variety of applications. However, they encounter inherent mathematical limitations in modeling distributions where samples are constrained by equalities, as is frequently the setting in scientific domains. In this work, we develop a computationally cheap, mathematically justified, and highly flexible distributional modification for combating known pitfalls in equality-constrained generative models. We propose perturbing the data distribution in a constraint-aware way such that the new distribution has support matching the ambient space dimension while still implicitly incorporating underlying manifold geometry. Through theoretical analyses and empirical evidence on several representative tasks, we illustrate that our approach consistently enables data distribution recovery and stable sampling with both diffusion models and normalizing flows.
May 31, 2024cs.AI

Grammar-Aligned Decoding

Large Language Models (LLMs) struggle with reliably generating highly structured outputs, such as program code, mathematical formulas, or well-formed markup. Constrained decoding approaches mitigate this problem by greedily restricting what tokens an LLM can output at each step to guarantee that the output matches a given constraint. Specifically, in grammar-constrained decoding (GCD), the LLM's output must follow a given grammar. In this paper, we demonstrate that GCD techniques (and in general constrained decoding techniques) can distort the LLM's distribution, leading to outputs that are grammatical but appear with likelihoods that are not proportional to the ones given by the LLM, and so ultimately are low-quality. We call the problem of aligning sampling with a grammar constraint, grammar-aligned decoding (GAD), and propose adaptive sampling with approximate expected futures (ASAp), a decoding algorithm that guarantees the output to be grammatical while provably producing outputs that match the conditional probability of the LLM's distribution conditioned on the given grammar constraint. Our algorithm uses prior sample outputs to soundly overapproximate the future grammaticality of different output prefixes. Our evaluation on code generation and structured NLP tasks shows how ASAp often produces outputs with higher likelihood (according to the LLM's distribution) than existing GCD techniques, while still enforcing the desired grammatical constraints.