Automated Synthesis Techniques

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21 papers in the last 28 days · 0.3% of indexed attention

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Period ending 2026-09-21

8 new papers

A weekly snapshot of new work published in Automated Synthesis Techniques.

Period ending 2026-09-14

5 new papers

A weekly snapshot of new work published in Automated Synthesis Techniques.

236 papers

Latest in Automated Synthesis Techniques

May 12, 2026cs.LO

Ensuring Logic in the Fog: Sound POMDP Synthesis with LTL Objectives

Synthesising autonomous agents that can navigate uncertain environments while adhering to complex temporal constraints remains a fundamental challenge. While Linear Temporal Logic (LTL) provides a rigorous language for specifying such tasks, the inherent undecidability of qualitatively verifying LTL satisfaction in partially observable Markov decision processes renders quantitative synthesis difficult, especially when designing reliable reward signals for approximate solvers. In this paper, we bridge this gap with a novel, sound reward-shaping mechanism that dynamically generates belief-dependent rewards grounded in certified LTL satisfaction. By integrating this mechanism into an enhanced Monte Carlo Planning framework, we empower agents to navigate the `fog' of partial observability with a search process focused on maximising verifiable success. Our experiments demonstrate that this approach not only thrives in scenarios where existing solvers fail but also maintains effectiveness and scalability across diverse benchmark domains.
Can Zhou, Yulong Gao, Pian Yu
May 12, 2026cs.NE

STARS: Spike Tail-Aware Relational Synthesis for ANN-to-SNN Data-Free Knowledge Distillation

SNNs promise energy-efficient and low-latency inference, but their performance still trails that of ANNs. ANN-to-SNN knowledge distillation helps narrow this gap, yet the original training data are often unavailable in practical deployment settings. Existing data-free knowledge distillation (DFKD) methods synthesize surrogate data by matching teacher-side priors, especially BN statistics, but these ANN-oriented constraints mainly regularize mean and variance and therefore remain under-constrained for SNN students whose responses depend on threshold-crossing dynamics. In this paper, we propose Spike Tail-Aware Relational Synthesis (STARS), a plug-and-play method for ANN-to-SNN DFKD that augments standard BN-guided synthesis with two complementary objectives: Relational Consistency Alignment, which preserves cross-sample relational consistency between teacher and student, and Tail-Aware Regularization, which regularizes threshold-relevant tail probabilities through soft exceedance over teacher-derived thresholds. Together, these objectives generate synthetic batches that remain teacher-valid while becoming more informative for SNN students. Experiments on CIFAR-10, CIFAR-100, and Tiny-ImageNet across multiple ANN-SNN pairs show that our method consistently improves conventional DFKD baselines and even surpasses several KD methods, with gains of up to 4.6% on CIFAR-10 and 6.7% on CIFAR-100, highlighting the importance of complementing BN matching with relational and tail-aware constraints in SNN-oriented DFKD.
Shuhan Ye, Yi Yu, Qixin Zhang +5
May 12, 2026cs.AI

Optimal LTLf Synthesis

Strategy synthesis typically follows an all-or-nothing paradigm, returning unrealisable whenever a specification cannot be guaranteed in an uncertain environment. In this paper, we introduce optimal LTLf synthesis, where the goal is to realise as many objectives as possible from a given specification consisting of multiple objectives, especially for the case that they are not all jointly realisable. We first consider max-guarantee synthesis, which commits to a maximal set of objectives that we can a priori guarantee to realise. We then introduce max-observation synthesis, which maximises a posteriori realised objectives that may be incomparable on different executions. Finally, we present incremental max-observation synthesis, which further improves strategies by exploiting opportunities for stronger guarantees when they arise during an execution. Experimental results show that different variations of optimal synthesis scale broadly equally well, solving a large fraction of the benchmark instances within the given timeout, demonstrating the practical feasibility of the approach.
Yujian Cao, Sven Schewe, Qiyi Tang +1
May 11, 2026quant-ph

Equivariant Reinforcement Learning for Clifford Quantum Circuit Synthesis

We consider the problem of synthesizing Clifford quantum circuits for devices with all-to-all qubit connectivity. We approach this task as a reinforcement learning problem in which an agent learns to discover a sequence of elementary Clifford gates that reduces a given symplectic matrix representation of a Clifford circuit to the identity. This formulation permits a simple learning curriculum based on random walks from the identity. We introduce a novel neural network architecture that is equivariant to qubit relabelings of the symplectic matrix representation, and which is size-agnostic, allowing a single learned policy to be applied across different qubit counts without circuit splicing or network reparameterization. On six-qubit Clifford circuits, the largest regime for which optimal references are available, our agent finds circuits within one two-qubit gate of optimality in milliseconds per instance, and finds optimal circuits in 99.2% of instances within seconds per instance. After continued training on ten-qubit instances, the agent scales to unseen Clifford tableaus with up to thirty qubits, including targets generated from circuits with over a thousand Clifford gates, where it achieves lower average two-qubit gate counts than Qiskit's Aaronson-Gottesman and greedy Clifford synthesizers.
Richie Yeung, Aleks Kissinger, Rob Cornish
May 9, 2026cs.LG

SkillGen: Verified Inference-Time Agent Skill Synthesis

Skills are a promising way to improve LLM agent capabilities without retraining, while keeping the added procedure reusable and controllable. However, high-quality skills are still largely written by hand. We introduce SkillGen, a multi-agent framework that synthesizes a single auditable skill from trajectories generated by a base agent. The output is a human-readable artifact that can be inspected before use. Rather than merely summarizing trajectories, SkillGen leverages contrastive induction over both successful and failed trajectories to identify reusable success patterns, recurring failure modes, and behaviors that appear in nearby successes but are missing from failures. SkillGen then generates candidate skills and iteratively refines the skill. A key novelty in SkillGen is that we model agent skills as interventions to empirically verify the net effect of skills on the overall performance. Specifically, we compare outcomes on the same instances with and without the skill, so that we account for both repairs (cases where the skill fixes a baseline failure) and regressions (cases where the skill breaks a baseline success). Across a broad range of agents and datasets, SkillGen consistently improves held-out performance, outperforms existing skill-generation baselines, and produces skills that transfer across models.
Yuchen Ma, Yue Huang, Han Bao +5
May 9, 2026cs.GR

HairGPT: Strand-as-Language Autoregressive Modeling for Realistic 3D Hairstyle Synthesis

Hair is a rich medium of visual and cultural expression, yet its digital modeling remains challenging due to the duality of fluidity and structure. Many existing generative approaches rely primarily on continuous diffusion fields, which entangle global topology with local texture and obscure the semantic and structural organization of hairstyles. To address this, we propose HairGPT, a strand-centric framework that treats strands as generative primitives and formulates realistic 3D hairstyle synthesis as a dual-decoupled autoregressive sequence modeling problem. Our method applies spatial decoupling across semantic scalp regions and structural decoupling along a hierarchical strand representation, progressing from global layout to fine-grained style. We further introduce a geometric tokenizer and region-aware semantic annotations to guide strand-level generation, enabling compositional editing, synthesis of rare and complex hairstyles, and adaptation to stylized domains. By aligning generative modeling with the workflow of digital grooming, HairGPT turns hair generation from opaque texture synthesis into a structured and semantically controllable authoring process, supporting robust semantic conditioning and high-fidelity results across realistic and stylized domains. Project Page: https://haiminluo.github.io/hairgpt/
Haimin Luo, Min Ouyang, Lan Xu +1
May 9, 2026cs.CL

AgentCollabBench: Diagnosing When Good Agents Make Bad Collaborators

Multi-agent systems achieve state-of-the-art outcomes through peer collaboration. However, when an agent in the pipeline silently drops a constraint, the system's final output may look correct even though the reasoning chain was quietly corrupted, and existing outcome-based evaluations are blind to such multi-hop process failures. To make these vulnerabilities measurable before deployment, we introduce AgentCollabBench, a diagnostic benchmark of 900 human-validated tasks spanning software engineering, DevOps, and data engineering. Each task isolates one of four behavioral risks: instruction decay (does a constraint survive peer pressure?), false-belief contagion (does a falsehood spread through consensus?), context leakage (does information bleed between tasks?), and tracer durability (does marked data reach the final agent?). Evaluating four modern LLMs (GPT 4.1 mini, Gemini 2.5 Flash Lite, Qwen-3.5-35B-A3B, and Llama 3.1 8B Instruct), we expose model-specific vulnerability profiles invisible to outcome-only evaluation; Qwen-3.5-35B-A3B, for example, leads on tracer durability and instruction stability, while GPT 4.1 mini leads on leakage containment and false-belief resistance. Beyond per-model differences, communication topology emerges as a primary risk factor that explains 7-40% of the variance in multi-hop information survival. The effect traces to a synthesis bottleneck specific to converging-DAG nodes: an agent weighing competing parent inputs discards constraints carried by a minority branch, a bottleneck structurally absent from linear chains. AgentCollabBench demonstrates that suboptimal topology can silently erase the safeguards of highly capable models, arguing that multi-agent reliability is fundamentally a structural problem and that scaling model intelligence alone is no substitute for architecture.
Aritra Mazumder, Shubhashis Roy Dipta, Nusrat Jahan Lia +10
May 7, 2026cs.LG

Can LLMs Predict Polymer Physics Just by Reading Synthesis and Processing Prose?

Can large language models predict physical and mechanical polymer properties simply by reading unstructured scientific prose? Polymer performance is rarely determined by chemical structure alone; identical nominal polymers can exhibit drastically different behaviors depending on their synthesis route, processing history, morphology, and testing conditions. Yet, state-of-the-art polymer property models typically rely on structure-only representations -- such as SMILES or molecular graphs -- which strip away this vital experimental context. In this work, we introduce \textbf{PolyLM}, a natural-language-only, process- and condition-aware framework that predicts materials performance directly from full-text literature. By circumventing structural inputs entirely, PolyLM preserves the nuanced, unstructured descriptions of synthesis and processing reported by domain scientists. To train this framework, we curated an unprecedented, literature-scale dataset encompassing 185,000 scientific papers and over 276,400 unique polymer samples across 22 physical, mechanical, and thermal properties. We fine-tuned a massive 9-billion-parameter language model (Qwen3.5-9B) using Low-Rank Adaptation (LoRA) and task-level uncertainty weighting. Evaluated on 68,283 held-out observations, the model achieves remarkably high predictive accuracy, establishing new state-of-the-art benchmarks for complex properties. Across the 22 diverse targets, the model achieves a median R2R^2 of 0.74, with predictions for key thermal, mechanical, and physicochemical properties frequently surpassing an R2R^2 of 0.80. These results unequivocally demonstrate that natural language is a powerful, highly scalable interface for realistic materials performance prediction.
Yuchu Liu, Rui Zhu, Jingwei Xiong +1
May 7, 2026cs.PL

GPU-Accelerated Synthesis of Mixed-Boolean Arithmetic: Beyond Caching

Synthesizing Mixed-Boolean Arithmetic (MBA) expressions from input-output examples is central to program deobfuscation and also useful for compiler optimization, reverse engineering, and cryptanalysis. Existing MBA synthesizers are typically CPU-based and scale poorly on large specifications or complex targets. Recent GPU-accelerated synthesis methods achieve large speedups in qualitative settings, but they depend on caching observationally equivalent candidates; this strategy breaks down for MBA because candidate outputs are quantitative bitvectors and the behavioral space is enormous. We present SIMBA (Synthesis of Mixed-Boolean Arithmetic), a GPU-accelerated MBA synthesizer built around cache-free bottom-up enumeration. SIMBA avoids language caches entirely and uses a GPU-oriented enumeration design that keeps work local and highly parallel. In experiments, SIMBA is substantially faster than prior MBA synthesis tools, handles larger specifications, and reaches expression sizes that existing methods fail to solve. These results establish cache-free GPU synthesis as a practical and scalable approach for quantitative domains, and identify it as a strong alternative to cache-centric designs.
Gabriel Bathie, Baptiste Mouillon, Nathanaël Fijalkow
May 5, 2026cs.LG

Model synthesis and identifiability analysis of stiff chemical reaction systems with inVAErt networks

We consider the problem of learning data-driven replicas for stiff systems of ordinary differential equations arising in chemical kinetics that can be evaluated with high computational efficiency. We first focus on training emulators for families of reaction equations under varying reaction rates, using conditional residual networks or long-short term memory architectures. We then apply a recently proposed data-driven framework known as ``inVAErt networks'' to address the ill-posed inverse problem of inferring reaction rates, integration time, and possibly initial conditions from a target set of species concentrations - a problem that has received relatively little attention in the literature. The proposed approach is demonstrated on chemical systems with reversible and irreversible kinetics, spanning 2 to 20 differential equations, 3 to 20 chemical species, and 3 to 25 reaction rate parameters. Relative root mean squared errors produced by the proposed emulators range from 10−510^{-5} for lower-dimensional systems to 10−410^{-4} and 10−310^{-3} for an air pollution model and a hydrogen-air reaction system, respectively. Manifolds of non-identifiable reaction rates recovered by the proposed approach can be analytically verified for simple systems and are consistent with local identifiability analysis in higher dimensions.
Sreejata Dey, Guoxiang Grayson Tong, Jonathan F. MacArt +1
May 4, 2026cs.SD

Tibetan-TTS:Low-Resource Tibetan Speech Synthesis with Large Model Adaptation

Tibetan text-to-speech (TTS) has long been challenged by scarce speech resources, significant dialectal variation, and the complex mapping between written text and spoken pronunciation. To address these issues, this work presents, to the best of our knowledge, the first large-model-based Tibetan TTS system in the industry, built upon a large speech synthesis model developed by Xingchen AGI Lab. The proposed system integrates data quality enhancement, Tibetan-oriented text representation and tokenizer adaptation, and cross-lingual adaptive training for low-resource Tibetan speech synthesis. Experimental results show that the system can generate stable, natural, and intelligible Tibetan speech under low-resource conditions. In subjective evaluation, the MOS scores of the syllable-level and BPE-based systems reach 4.28 and 4.35, while their pronunciation accuracies reach 97.6% and 96.6%, respectively, outperforming an external commercial Tibetan TTS interface. These results demonstrate that combining a large-model backbone with Tibetan-oriented text representation adaptation and cross-lingual adaptive training enables highly usable low-resource Tibetan speech synthesis, and also provides a technical foundation for future unified multi-dialect Tibetan speech synthesis.
Jiaxu He, Chao Wang, Jie Lian +4
May 3, 2026cs.CV

Disentangled Anatomy-Disease Diffusion (DADD) for Controllable Ulcerative Colitis Progression Synthesis

Synthesizing longitudinal medical images at controllable disease stages while preserving patient-specific anatomy is hindered by the entanglement of pathological textures and structural features. We address this challenge for ulcerative colitis (UC) endoscopy, where severity follows a continuous ordinal progression along the Mayo Endoscopic Score (MES). Our framework, Disentangled Anatomy-Disease Diffusion (DADD), conditions a latent diffusion model on two complementary embeddings: a pretrained image encoder for patient anatomy and a separately trained ordinal embedder for cumulative disease severity. Since image embeddings inevitably capture disease information, we introduce a Feature Purifier, a cross-attention-based erasure mechanism that identifies and suppresses disease-correlated channels, yielding purified anatomical representations. These cleaned anatomy tokens and target disease tokens are injected into the denoising network via a Triple-Pathway Cross-Attention mechanism with resolution-dependent routing gates. This architecture leverages the U-Net hierarchy, in which different network depths encode global structure versus fine-grained pathological texture. Furthermore, we introduce Delta Steering, a training-free directional signal derived from the ordinal embeddings that enables explicit, single-pass control over disease transitions at inference without requiring additional forward passes. Validated on the LIMUC dataset, our approach produces high-fidelity images across all severity levels and effectively rebalances skewed class distributions, enhancing performance for downstream classification tasks. The dataset is available at zenodo.org/records/5827695 and the code base at github.com/umutdundar99/progressive-stable-diffusion
Umut Dundar, Alptekin Temizel
May 2, 2026quant-ph

From Characterization To Construction: Generative Quantum Circuit Synthesis from Gate Set Tomography Data

High-fidelity circuit execution on noisy intermediate-scale quantum devices is bottlenecked by compilation pipelines that disregard complex, correlated noise. To address this, this methodology article proposes a quantum machine learning control (QMLC) framework for generative quantum circuit synthesis from gate-set tomography (GST) data that bypasses the traditional two-step pipeline of characterizing native quantum gates via GST followed by unitary decomposition algorithms. Instead, a generative concept space is directly learnt from GST data, enabling conditional synthesis of quantum circuits on a desired output distribution. Our approach tokenizes GST germ circuits and embeds them into a structured latent space using a curriculum-learning-motivated strategy, starting with short circuits and progressively incorporating longer ones with diverse output statistics. The embedded sequences are processed by a set-vision transformer with permutation-invariant pooling, producing k-seed vectors that represent the learned concept space of the quantum device. Aggregating data across multiple circuits makes this latent representation inherently context-aware, capturing the shared physical noise environment (e.g., crosstalk, drift) that isolated gate metrics miss. We propose an unconditional diffusion model to sample from the concept space. During inference, a user provides a target measurement distribution, and the model generates a corresponding circuit. To ensure fidelity and robustness, the output is denoised using a diffusion model that operates on the target conditional covariance matrix. This end-to-end framework is a step towards context-aware, hardware-native circuit synthesis directly from raw GST data, which offers a new paradigm for integrating quantum control and compilation. The QMLC framework is particularly suited for near-term quantum devices with complex calibration procedures.
King Yiu Yu, Aritra Sarkar, Erbing Hua +3
May 1, 2026cs.HC

Sketch-to-Layout: A Human-Centric Computational Agent for Constraint-Aware Synthesis of Modular Photobioreactors

Building-integrated photobioreactors (PBRs) offer a pathway for carbon-neutral architecture, yet deployment is hindered by configuration complexity and biological maintenance. This paper presents a modular PBR facade system powered by a computational framework reconciling design intent with physical validity. We introduce 'carbon-neutralization bricks' featuring integrated vessel-and-conduit geometry; monolithic fluid channels enable 'plug-and-play' assembly. To navigate the combinatorial complexity of 14 modular geometries, we develop a Computational Sketch-to-Layout Agent that formulates layout synthesis as a Constraint Satisfaction Problem (CSP). Using the CP-SAT engine, the agent treats sparse user sketches as soft priors while enforcing hard constraints like port alignment and global connectivity. This allows non-experts to synthesize fabrication-ready configurations in near real-time. Furthermore, to facilitate autonomous maintenance, we propose a weakly supervised algae health monitoring pipeline. By employing a hybrid CNN-attention backbone and a temporal ranking loss, the system quantifies biological vitality from photographs without absolute ground-truth labels. Experiments demonstrate the CSP solver achieves a 95.5% success rate on grid scales up to 15 x 15. Qualitative evaluations confirm the framework preserves design semantics while ensuring operational integrity. Long-term tests show the vision module produces health trajectories aligned with 14-day biological cycles, suggesting that integrating interactive synthesis with low-cost computer vision can democratize scalable carbon capture systems.
Xiujin Liu, Shuqi Li, Yuxin Lin
May 1, 2026cs.LG

AsymTalker: Identity-Consistent Long-Term Talking Head Generation via Asymmetric Distillation

Diffusion-based talking head generation has achieved remarkable visual quality, yet scaling it to long-term videos remains challenging. The widely adopted chunk-wise paradigm introduces two fundamental failures: (1) temporal-spatial misalignment between static identity references and dynamic audio streams, and (2) cascading identity drift propagated through self-generated continuity references across chunks. To address both issues, we propose AsymTalker, a novel diffusion-based talking head generation method comprising Temporal Reference Encoding (TRE) and Asymmetric Knowledge Distillation (AKD). First, TRE mitigates temporal-spatial misalignment by transforming the static identity image into a temporally coherent latent representation through encoding of a temporally replicated pseudo-video, without introducing additional parameters. Second, AKD resolves the inherent conditioning dilemma in chunk-wise training: using ground-truth references causes train-inference mismatch, while self-generated references entangle supervision with identity drift. Our asymmetric design circumvents this by anchoring the teacher model with ground-truth continuity references to provide drift-free, chunk-level supervision, thereby avoiding the teacher bottleneck. Meanwhile, the student model learns under inference-aligned conditions, conditioned only on self-generated references, and is trained via distribution matching to preserve identity over long horizons. Extensive experiments show AsymTalker achieves state-of-the-art results on HDTF and VFHQ. It guarantees high-fidelity, identity-consistent synthesis over 600-second videos and reaches a real-time inference speed of 66 FPS.
Yuxin Lu, Jiayang Sun, Guibo Zhu +1
May 1, 2026cs.CV

BlenderRAG: High-Fidelity 3D Object Generation via Retrieval-Augmented Code Synthesis

Automatic generation of executable Blender code from natural language remains challenging, with state-of-the-art LLMs producing frequent syntactic errors and geometrically inconsistent objects. We present BlenderRAG, a retrieval-augmented generation system that operates on a curated multimodal dataset of 500 expert-validated examples (text, code, image) across 50 object categories. By retrieving semantically similar examples during generation, BlenderRAG improves compilation success rates from 40.8% to 70.0% and semantic normalized alignment from 0.41 to 0.77 (CLIP similarity) across four state-of-the-art LLMs, without requiring fine-tuning or specialized hardware, making it immediately accessible for deployment. The dataset and code will be available at https://github.com/MaxRondelli/BlenderRAG.
Massimo Rondelli, Francesco Pivi, Maurizio Gabbrielli
May 1, 2026cond-mat.mtrl-sci

Beyond Structure: Revolutionising Materials Discovery via AI-Driven Synthesis Protocol-Property Relationships

The current structure-centric paradigm in artificial intelligence (AI)-driven materials discovery, despite delivering thousands of candidate structures, is stalling at a critical barrier: the synthesizability gap. We argue that closing this gap demands a pivot to a synthesis-first paradigm in which executable synthesis protocols, not just atomic configurations, are treated as primary design variables. We outline a roadmap built on three pillars: (i) representing synthesis procedures as machine-readable protocols, (ii) deploying generative and inverse-design models to propose actionable reaction pathways and recipes, and (iii) integrating closed-loop optimisation to refine protocols against experimental realities and sustainability constraints. Framed in terms of the causal backbone P->X->y from protocol P to structure X and properties y, this perspective sets out methodological building blocks, standards needs and self-driving laboratory (SDL) integration strategies to accelerate reproducible, data-first materials discovery.
Guillaume Lambard
Apr 28, 2026cs.AI

ADEMA: A Knowledge-State Orchestration Architecture for Long-Horizon Knowledge Synthesis with LLMAgents

Long-horizon LLM tasks often fail not because a single answer is unattainable, but because knowledge states drift across rounds, intermediate commitments remain implicit, and interruption fractures the evolving evidence chain. This paper presents ADEMA as a knowledge-state orchestration architecture for long-horizon knowledge synthesis rather than as a generic multi-agent runtime. The architecture combines explicit epistemic bookkeeping, heterogeneous dual-evaluator governance, adaptive task-mode switching, reputation-shaped resource allocation, checkpoint-resumable persistence, segment-level memory condensation, artifact-first assembly, and final-validity checking with safe fallback. Evidence is drawn entirely from existing materials: a four-scenario showcase package, a fixed 60-run mechanism matrix, targeted micro-ablation and artifact-chain supplements, and a repaired protocol-level benchmark in which code-oriented evaluation is the clearest quality-sensitive mechanism block. Across the fixed matrix, removing checkpoint/resume produced the only invalid run, and it did so in the interruption-sensitive resume condition. By contrast, dual evaluation, segment synthesis, and dynamic governance are best interpreted as supporting control mechanisms that shape trajectory discipline, explicit artifact progression, and cost-quality behavior rather than as universal binary prerequisites for completion. The contribution is therefore a knowledge-state orchestration architecture in which explicit epistemic state transition, evidence-bearing artifact progression, and recoverable continuity are the primary design commitments.
Zhou Hanlin, Chan Huah Yong
Apr 27, 2026cs.CV

Zero-to-CAD: Agentic Synthesis of Interpretable CAD Programs at Million-Scale Without Real Data

Computer-Aided Design (CAD) models are defined by their construction history: a parametric recipe that encodes design intent. However, existing large-scale 3D datasets predominantly consist of boundary representations (B-Reps) or meshes, stripping away this critical procedural information. To address this scarcity, we introduce Zero-to-CAD, a scalable framework for synthesizing executable CAD construction sequences. We frame synthesis as an agentic search problem: by embedding a large language model (LLM) within a feedback-driven CAD environment, our system iteratively generates, executes, and validates code using tools and documentation lookup to promote geometric validity and operation diversity. This agentic approach enables the synthesis of approximately one million executable, readable, editable CAD sequences, covering a rich vocabulary of operations beyond sketch-and-extrude workflows. We also release a curated subset of 100,000 high-quality models selected for geometric diversity. To demonstrate the dataset's utility, we fine-tune a vision-language model on our synthetic data to reconstruct editable CAD programs from multi-view images, outperforming strong baselines, including GPT-5.2, and effectively bootstrapping sequence generation capabilities without real construction-history training data. Zero-to-CAD bridges the gap between geometric scale and parametric interpretability, offering a vital resource for the next generation of CAD AI.
Mohammadmehdi Ataei, Farzaneh Askari, Kamal Rahimi Malekshan +1
Apr 27, 2026cs.AI

SemML 2.0: Synthesizing Controllers for LTL

Synthesizing a reactive system from specifications given in linear temporal logic (LTL) is a classical problem, finding its applications in safety-critical systems design. These systems are typically represented using either Mealy machines or AIGER circuits. We present the second version of SemML, which outperforms all state-of-the-art tools for finding either solution. Aside from implementing the classical automata-theoretic approach, our tool utilizes partial exploration and machine-learning guidance for obtaining solutions efficiently, and numerous heuristics and improvements of classic algorithms for extracting small representations of these solutions. We evaluate our tool against the existing state-of-the-art tools (in particular Strix, LtlSynt, and the previous version of SemML) on the dataset of the synthesis competition SYNTCOMP. We show that we solve significantly more instances and do so much faster than other tools, while maintaining state-of-the-art solution quality.
Jan Křetínský, Tobias Meggendorfer, Maximilian Prokop
Apr 27, 2026cs.CL

TSAssistant: A Human-in-the-Loop Agentic Framework for Automated Target Safety Assessment

Target Safety Assessment (TSA) requires systematic integration of genetic, transcriptomic, target homology, pharmacological, and clinical data to evaluate potential safety liabilities of therapeutic targets. This process is labor-intensive and expert-dependent, posing challenges in scalability and reproducibility. We present TSAssistant, a human-in-the-loop multi-agent framework that decomposes TSA report generation into a workflow of specialized subagents: Research Subagents that each ground and cite a single TSA domain, and Synthesis Subagents that integrate findings across domains. Subagents retrieve and synthesize evidence from curated biomedical sources through standardized tool interfaces and produce individually citable, evidence-grounded sections, with behavior shaped by a hierarchical instruction architecture that separates coordination logic from domain expertise and user intent. To complement these soft constraints, programmatic execution hooks and persistent memory stores enforce hard constraints across the workflow, while an interactive refinement loop allows experts to review and revise individual sections with full conversational context preserved across iterations. Rather than a single holistic comparison, we decompose report quality into reproducibility, evidential grounding, task-level accuracy, and controllability under expert oversight, finding high reproducibility and grounding, substantial agreement with the human reference, and net-positive expert-driven refinement.
Xiaochen Zheng, Zhiwen Jiang, David Tokar +5
Apr 26, 2026cs.CL

LegalDrill: Diagnosis-Driven Synthesis for Legal Reasoning in Small Language Models

Small language models (SLMs) are promising for real-world deployment due to their efficiency and low operational cost. However, their limited capacity struggles with high-stakes legal reasoning tasks that require coherent statute interpretation and logically consistent deduction. Furthermore, training SLMs for such tasks demands high-quality, concise reasoning trajectories, which are prohibitively expensive to manually collect and difficult to curate via standard rejection sampling, lacking granularity beyond final verdicts. To address these challenges, we propose {LegalDrill}, a diagnosis-driven synthesis framework that extracts and iteratively refines reasoning trajectories from a capable teacher via fine-grained prompting, then a self-reflective verification is employed to adaptively select the most effective data for the SLM student. The resulting data empower SLM training through supervised fine-tuning and direct preference optimization. Extensive experiments on several legal benchmarks demonstrate that {LegalDrill} significantly bolsters the legal reasoning capabilities of representative SLMs while bypassing the need for scarce expert annotations, paving a scalable path toward practical legal reasoning systems.
Tianchun Li, Haochen Liu, Vishwa Pardeshi +5
Apr 26, 2026cs.AR

TimingLLM: A Two-Stage Retrieval-Augmented Framework for Pre-Synthesis Timing Prediction from Verilog

Early, tool-free prediction of post-synthesis timing remains a key obstacle to rapid RTL iteration. We introduce TimingLLM, a two-stage retrieval-augmented LLM pipeline that estimates worst negative slack (WNS) and total negative slack (TNS) directly from Verilog. Stage 1 is a fine-tuned LLM that acts as a compact post-synthesis timing oracle, producing path-level arrivals/required times that are summarized into lightweight structural-timing cues (e.g., bag-of-gates counts, critical-path depth, gate-type patterns). Stage 2 is an LLM-based regressor that predicts WNS/TNS and applies a learned diagonal steering vector at the last transformer block, computed from the k nearest timing-labeled modules in a disjoint retrieval bank. On VerilogEval, TimingLLM attains R_WNS = 0.91 (MAPE 12%) and R_TNS=0.97 (MAPE 16%) while running 1.3-1.6 times faster than prior methods. Training uses a new 60k-module Verilog corpus with synthesis reports, which we will release. After training once, TimingLLM can be adapted to new technology libraries and PVT corners by refitting only a small regression head on 1000 labeled modules per setting, consistently outperforming state-of-the-art baselines.
Armin Abdollahi, Negin Ashrafi, Mehdi Kamal +1
Apr 23, 2026cs.RO

VistaBot: View-Robust Robot Manipulation via Spatiotemporal-Aware View Synthesis

Recently, end-to-end robotic manipulation models have gained significant attention for their generalizability and scalability. However, they often suffer from limited robustness to camera viewpoint changes when training with a fixed camera. In this paper, we propose VistaBot, a novel framework that integrates feed-forward geometric models with video diffusion models to achieve view-robust closed-loop manipulation without requiring camera calibration at test time. Our approach consists of three key components: 4D geometry estimation, view synthesis latent extraction, and latent action learning. VistaBot is integrated into both action-chunking (ACT) and diffusion-based (π0π_0) policies and evaluated across simulation and real-world tasks. We further introduce the View Generalization Score (VGS) as a new metric for comprehensive evaluation of cross-view generalization. Results show that VistaBot improves VGS by 2.79×\times and 2.63×\times over ACT and π0π_0, respectively, while also achieving high-quality novel view synthesis. Our contributions include a geometry-aware synthesis model, a latent action planner, a new benchmark metric, and extensive validation across diverse environments. The code and models will be made publicly available.
Songen Gu, Yuhang Zheng, Weize Li +6
Apr 23, 2026cs.AI

SemanticAgent: A Semantics-Aware Framework for Text-to-SQL Data Synthesis

Existing text-to-SQL synthesis pipelines still conflate executability with semantic validity: syntactic checks and execution-based validation can retain queries that execute successfully while violating database semantics. To address these limitations, we propose SemanticAgent, a semantic-aware synthesis framework. SemanticAgent organizes synthesis around three specialized modules: an analyzer, a synthesizer, and a verifier. Through a three-stage protocol of semantic analysis, stepwise synthesis, and diagnostic refinement, SemanticAgent transforms execution-based validation alone into a traceable reasoning process. Our framework generates synthetic data that consistently outperforms prior synthesis methods under semantic-quality evaluation, leading to stronger downstream fine-tuning performance, especially on semantically demanding benchmarks.
Qiang Gao, Zhenping Li, Anqi Zhuo +3
Apr 22, 2026cs.CL

LatticeBridge: Rare-Event Sequential Inference for Faithful Structured Sequence Synthesis

Structured sequence generation often requires a model to satisfy several input-derived constraints in a single output. Standard decoding methods may assign high probability to fluent continuations while placing low mass on continuations that realize all required anchors jointly. We study this regime as a rare-event sequential inference problem. LatticeBridge combines a compact prefix language model, instance-compiled surface automata, and a twisted sequential Monte Carlo (SMC) decoder with resampling, multilevel splitting, and a source-support proposal term derived from instance-provided phrases. The constraint representation is compiled from each input instance and does not rely on manually curated lexical classes. On 2,610 attainable validation tasks spanning CommonGen, E2E NLG, and WikiBio, the particle decoder improves exact anchor satisfaction and mean anchor coverage over greedy, beam-filtered, and best-of-k ancestral baselines under a shared proposal model. Since exact anchor satisfaction alone does not rule out unsupported attribute substitutions, the evaluation reports required-anchor coverage, source coverage, source-intrusion diagnostics, overlap, runtime, and particle statistics jointly. The benchmark characterizes the faithfulness-overlap-latency frontier under a fixed proposal model.
Faruk Alpay, Bugra Kilictas
Apr 21, 2026cond-mat.mtrl-sci

Predicting Scale-Up of Metal-Organic Framework Syntheses with Large Language Models

Scalable synthesis remains the gate between MOF discovery and industrial deployment, as scale-up know-how is fragmented across disparate reports. We introduce ScaleMOF, a literature-mined dataset and a positive-unlabeled learning strategy that fine-tunes large language models. Achieving 93.5% accuracy, this proof-of-concept serves as a literature-grounded ranking tool prioritizing plausible scale-up candidates.
Peter Walther, Hongrui Sheng, Xinxin Liu +7
Apr 21, 2026eess.AS

Voice Mapping of Text-to-Speech Systems: A Metric-Based Approach for Voice Quality Assessment

This study investigates voice mapping as an evaluation framework for text-to-speech (TTS) synthesis quality. The study analyzes six TTS models, including historical and recent ones. The metrics are crest factor, spectrum balance, and cepstral peak prominence (CPPs). We investigated 6 influential TTS models: Merlin, Tacotron 2, Transformer TTS, FastSpeech 2, Glow-TTS, and VITS. The results demonstrate that voice range serves as a primary indicator of model capability, with VITS showing the largest range among tested models. Glow-TTS exhibited superior performance in soft phonation, indicated by higher spectrum balance, despite limited voice range. The results showed that the CPPs values between 7-8 dB indicate natural voice quality, while with CPPs exceeding 10 dB, the speech tends to sound robotic. These findings underscore the need for voice mapping to evaluate vocal effort, and capture how TTS systems handle voice dynamic and expressiveness.
Huanchen Cai, Sten Ternström
Apr 20, 2026cs.LG

Gradient-Based Program Synthesis with Neurally Interpreted Languages

A central challenge in program induction has long been the trade-off between symbolic and neural approaches. Symbolic methods offer compositional generalisation and data efficiency, yet their scalability is constrained by formalisms such as domain-specific languages (DSLs), which are labour-intensive to create and may not transfer to new domains. In contrast, neural networks flexibly learn from data but tend to generalise poorly in compositional and out-of-distribution settings. We bridge this divide with an instance of a Latent Adaptation Network architecture named Neural Language Interpreter (NLI), which learns its own discrete, symbolic-like programming language end-to-end. NLI autonomously discovers a vocabulary of primitive operations and uses a novel differentiable neural executor to interpret variable-length sequences of these primitives. This allows NLI to represent programs that are not bound to a constant number of computation steps, enabling it to solve more complex problems than those seen during training. To make these discrete, compositional program structures amenable to gradient-based optimisation, we employ the Gumbel-Softmax relaxation, enabling the entire model to be trained end-to-end. Crucially, this same differentiability enables powerful test-time adaptation. At inference, NLI's program inductor provides an initial program guess. This guess is then refined via gradient descent through the neural executor, enabling efficient search for the neural program that best explains the given data. We demonstrate that NLI outperforms in-context learning, test-time training, and continuous latent program networks on tasks that require combinatorial generalisation and rapid adaptation to unseen tasks. Our results establish a new path toward models that combine the compositionality of discrete languages with the gradient-based search and end-to-end learning of neural networks.
Matthew V. Macfarlane, Clément Bonnet, Herke van Hoof +1
Apr 20, 2026cs.LO

Symbolic Synthesis for LTLf+ Obligations

We study synthesis for obligation properties expressed in LTLfp, the extension of LTLf to infinite traces. Obligation properties are positive Boolean combinations of safety and guarantee (co-safety) properties and form the second level of the temporal hierarchy of Manna and Pnueli. Although obligation properties are expressed over infinite traces, they retain most of the simplicity of LTLf. In particular, we show that they admit a translation into symbolically represented deterministic weak automata (DWA) obtained directly from the symbolic deterministic finite automata (DFA) for the underlying LTLf properties on trace prefixes. DWA inherit many of the attractive algorithmic features of DFA, including Boolean closure and polynomial-time minimization. Moreover, we show that synthesis for LTLfp obligation properties is theoretically highly efficient - solvable in linear time once the DWA is constructed. We investigate several symbolic algorithms for solving DWA games that arise in the synthesis of obligation properties and evaluate their effectiveness experimentally. Overall, the results indicate that synthesis for LTLfp obligation properties can be performed with virtually the same effectiveness as LTLf synthesis.
Giuseppe De Giacomo, Christian Hagemeier, Daniel Hausmann +1
Apr 20, 2026cs.AI

Agent-World: Scaling Real-World Environment Synthesis for Evolving General Agent Intelligence

Large language models are increasingly expected to serve as general-purpose agents that interact with external, stateful tool environments. The Model Context Protocol (MCP) and broader agent skills offer a unified interface for connecting agents with scalable real-world services, but training robust agents remains limited by the lack of realistic environments and principled mechanisms for life-long learning. In this paper, we present \textbf{Agent-World}, a self-evolving training arena for advancing general agent intelligence through scalable environments. Agent-World has two main components: (1) Agentic Environment-Task Discovery, which autonomously explores topic-aligned databases and executable tool ecosystems from thousands of real-world environment themes and synthesizes verifiable tasks with controllable difficulty; and (2) Continuous Self-Evolving Agent Training, which combines multi-environment reinforcement learning with a self-evolving agent arena that automatically identifies capability gaps through dynamic task synthesis and drives targeted learning, enabling the co-evolution of agent policies and environments. Across 23 challenging agent benchmarks, Agent-World-8B and 14B consistently outperforms strong proprietary models and environment scaling baselines. Further analyses reveal scaling trends in relation to environment diversity and self-evolution rounds, offering insights for building general agent intelligence.
Guanting Dong, Junting Lu, Junjie Huang +17
Apr 19, 2026cs.AI

LLM-Guided Strategy Synthesis for Scalable Equality Saturation

Equality saturation (EqSat) is a powerful optimization paradigm that compactly represents many equivalent programs in an e-graph and delays commitment until extraction selects a lowest-cost program. Making EqSat effective, therefore, requires not only domain-specific rewrite rules but also domain-specific strategies. Today, much of this strategy design is still manual, making it a major obstacle to automating e-graph-based compilers. Recent rule-synthesis frameworks can automatically infer large rewrite vocabularies from semantic specifications, but they also enlarge the rewrite space and further exacerbate e-graph explosion. Although large language models (LLMs) make automated strategy synthesis plausible, directly evolving backend code remains ineffective in practice. The search lacks reusable strategy abstractions and actionable feedback, and can easily trigger e-graph explosion or converge to poor designs. We present EggMind, an LLM-guided, end-to-end framework for synthesizing reusable EqSat strategies. At its core, EggMind introduces a domain-specific language, EqSatL, to represent EqSat strategies as explicit and inspectable artifacts. It then proposes an LLM-guided agentic workflow, equipped with novel techniques including proof-derived rewrite motif caching and tractability guidance, to search efficiently for high-quality strategies while keeping synthesis stable under e-graph growth. Evaluation shows that EggMind substantially improves the resource-quality trade-off on vectorization benchmarks, reducing final cost by 45.1% and peak RAM by 69.1% relative to full EqSat. We further show that the same methodology transfers effectively to an XLA-based tensor compiler, and demonstrate its practical potential in a logic-synthesis case study with augmented rewrite spaces.
Chenyun Yin, Youwei Xiao, Yuze Luo +2
Apr 18, 2026cs.LG

Self-Reinforcing Controllable Synthesis of Rare Relational Data via Bayesian Calibration

Imbalanced data are commonly present in real-world applications. While data synthesis can effectively mitigate data scarcity for rare classes, and LLMs have revolutionized text generation, the application of LLMs to the synthesis of relational/structured tabular data remains underexplored. Moreover, existing approaches lack an effective feedback mechanism to guide LLMs in continuously optimizing the quality of the generated data throughout the synthesis process. In this work, we propose RDDG, Relational Data generator with Dynamic Guidance, which is a unified in-context learning framework that employs progressive chain-of-thought (CoT) steps to generate tabular data for enhancing downstream imbalanced classification performance. RDDG first uses core set selection to identify representative samples from the original data, then utilizes in-context learning to discover the inherent patterns and correlations among attributes within the core set, and subsequently generates tabular data while preserving the aforementioned constraints. More importantly, it incorporates a self-reinforcing feedback mechanism that provides automatic assessments of the quality of the generated data, enabling continuous quality optimization throughout the generation process. Experimental results on multiple real and synthetic datasets demonstrate that RDDG outperforms existing approaches in both data fidelity and downstream imbalanced classification performance. We make our code available at https://github.com/cszhangLMU/RDDG.
Chongsheng Zhang, Hao Wang, Zelong Yu +7
Apr 17, 2026cs.SE

Certified Program Synthesis with a Multi-Modal Verifier

Certified program synthesis (aka vericoding) is the process of automatically generating a program, its formal specification, and a machine-checkable proof of their alignment from a natural-language description. Two challenges make vericoding difficult. First, specifications synthesised from natural language are often either too weak to be meaningful or too strong to be implementable, yet existing approaches lack systematic means to detect such defects. Second, the landscape of program verifiers is fragmented: each tool supports a particular reasoning mode -- auto-active (e.g., Dafny, Verus) or interactive (e.g., Coq, Lean) -- with its own trade-off between automation and expressivity. This forces every synthesis methodology to be tailored to a single verification paradigm, limiting the class of tasks it can handle effectively. We overcome both challenges by structuring the certified synthesis workflow around a multi-modal verifier -- a single tool combining dynamic validation, automated proofs, and interactive proof scripting in one foundational framework. We realise this idea in LeetProof, an agentic pipeline built on Velvet, a multi-modal verifier embedded in Lean. Multi-modality enables LeetProof to validate generated specifications via randomised property-based testing before any code is synthesised, decompose the synthesis task into sub-problems guided by verification conditions, and delegate residual proof obligations to frontier AI provers specialised for Lean. We evaluate LeetProof on benchmarks derived from prior work on certified synthesis. Our specification validation uncovers defects in existing reference benchmarks, and LeetProof's staged pipeline achieves a significantly higher rate of fully certified solutions than a single-mode baseline at the same budget -- consistently across two frontier LLM backends.
Yueyang Feng, Dipesh Kafle, Vladimir Gladshtein +5
Apr 16, 2026cs.AI

CoTEvol: Self-Evolving Chain-of-Thoughts for Data Synthesis in Mathematical Reasoning

Large Language Models (LLMs) exhibit strong mathematical reasoning when trained on high-quality Chain-of-Thought (CoT) that articulates intermediate steps, yet costly CoT curation hinders further progress. While existing remedies such as distillation from stronger LLMs and self-synthesis based on test-time search alleviate this issue, they often suffer from diminishing returns or high computing overhead.In this work, we propose CoTEvol, a genetic evolutionary framework that casts CoT generation as a population-based search over reasoning trajectories.Candidate trajectories are iteratively evolved through reflective global crossover at the trajectory level and local mutation guided by uncertainty at the step level, enabling holistic recombination and fine-grained refinement. Lightweight, task-aware fitness functions are designed to guide the evolutionary process toward accurate and diverse reasoning. Empirically, CoTEvol improves correct-CoT synthesis success by over 30% and enhances structural diversity, with markedly improved efficiency. LLMs trained on these evolutionary CoT data achieve an average gain of 6.6% across eight math benchmarks, outperforming previous distillation and self-synthesis approaches. These results underscore the promise of evolutionary CoT synthesis as a scalable and effective method for mathematical reasoning tasks.
Zhuo Wang, Zhuo Zhang, Yafu Li +3
Apr 16, 2026cs.CV

Data Synthesis Improves 3D Myotube Instance Segmentation

Myotubes are multinucleated muscle fibers serving as key model systems for studying muscle physiology, disease mechanisms, and drug responses. Mechanistic studies and drug screening thereby rely on quantitative morphological readouts such as diameter, length, and branching degree, which in turn require precise three-dimensional instance segmentation. Yet established pretrained biomedical segmentation models fail to generalize to this domain due to the absence of large annotated myotube datasets. We introduce a geometry-driven synthesis pipeline that models individual myotubes via polynomial centerlines, locally varying radii, branching structures, and ellipsoidal end caps derived from real microscopy observations. Synthetic volumes are rendered with realistic noise, optical artifacts, and CycleGAN-based Domain Adaptation (DA). A compact 3D U-Net with self-supervised encoder pretraining, trained exclusively on synthetic data, achieves a mean IPQ of 0.22 on real data, significantly outperforming three established zero-shot segmentation models, demonstrating that biophysics-driven synthesis enables effective instance segmentation in annotation-scarce biomedical domains.
David Exler, Nils Friederich, Martin Krüger +5
Mar 25, 2026eess.AS

YingMusic-Singer: Controllable Singing Voice Synthesis with Flexible Lyric Manipulation and Annotation-free Melody Guidance

Regenerating singing voices with altered lyrics while preserving melody consistency remains challenging, as existing methods either offer limited controllability or require laborious manual alignment. We propose YingMusic-Singer, a fully diffusion-based model enabling melody-controllable singing voice synthesis with flexible lyric manipulation. The model takes three inputs: an optional timbre reference, a melody-providing singing clip, and modified lyrics, without manual alignment. Trained with curriculum learning and Group Relative Policy Optimization, YingMusic-Singer achieves stronger melody preservation and lyric adherence than Vevo2, the most comparable baseline supporting melody control without manual alignment. We also introduce LyricEditBench, the first benchmark for melody-preserving lyric modification evaluation. The code, weights, benchmark, and demos are publicly available at https://github.com/ASLP-lab/YingMusic-Singer-Plus.
Chunbo Hao, Junjie Zheng, Guobin Ma +6
Mar 23, 2026cs.CV

SHARP: Spectrum-aware Highly-dynamic Adaptation for Resolution Promotion in Remote Sensing Synthesis

Text-to-image generation powered by Diffusion Transformers (DiTs) has made remarkable strides, yet remote sensing (RS) synthesis lags behind due to two barriers: the absence of a domain-specialized DiT prior and the prohibitive cost of training at the large resolutions that RS applications demand. Training-free resolution promotion via Rotary Position Embedding (RoPE) rescaling offers a practical remedy, but every existing method applies a static positional scaling rule throughout the denoising process. This uniform compression is particularly harmful for RS imagery, whose substantially denser medium- and high-frequency energy encodes the fine structures critical for aerial-scene realism, such as vehicles, building contours, and road markings. Addressing both challenges requires a domain-specialized generative prior coupled with a denoising-aware positional adaptation strategy. To this end, we fine-tune FLUX on over 100,000 curated RS images to build a strong domain prior (RS-FLUX), and propose Spectrum-aware Highly-dynamic Adaptation for Resolution Promotion (SHARP), a training-free method that introduces a rational fractional time schedule k_rs(t) into RoPE. SHARP applies strong positional promotion during the early layout-formation stage and progressively relaxes it during detail recovery, aligning extrapolation strength with the frequency-progressive nature of diffusion denoising. Its resolution-agnostic formulation further enables robust multi-scale generation from a single set of hyperparameters. Extensive experiments across six square and rectangular resolutions show that SHARP consistently outperforms all training-free baselines on CLIP Score, Aesthetic Score, and HPSv2, with widening margins at more aggressive extrapolation factors and negligible computational overhead. Code and weights are available at https://github.com/bxuanz/SHARP.
Bingxuan Zhao, Qing Zhou, Chuang Yang +1
Mar 18, 2026cs.CV

AR-CoPO: Align Autoregressive Video Generation with Contrastive Policy Optimization

Streaming autoregressive (AR) video generators combined with few-step distillation achieve low-latency, high-quality synthesis, yet remain difficult to align via reinforcement learning from human feedback (RLHF). Existing SDE-based GRPO methods face challenges in this setting: few-step ODEs and consistency model samplers deviate from standard flow-matching ODEs, and their short, low-stochasticity trajectories are highly sensitive to initialization noise, rendering intermediate SDE exploration ineffective. We propose AR-CoPO (AutoRegressive Contrastive Policy Optimization), a framework that adapts the Neighbor GRPO contrastive perspective to streaming AR generation. AR-CoPO introduces chunk-level alignment via a forking mechanism that constructs neighborhood candidates at a randomly selected chunk, assigns sequence-level rewards, and performs localized GRPO updates. We further propose a semi-on-policy training strategy that complements on-policy exploration with exploitation over a replay buffer of reference rollouts, improving generation quality across domains. Experiments on Self-Forcing demonstrate that AR-CoPO improves both out-of-domain generalization and in-domain human preference alignment over the baseline, providing evidence of genuine alignment rather than reward hacking.
Dailan He, Guanlin Feng, Xingtong Ge +5
Mar 13, 2026cs.LG

RetroReasoner: A Reasoning LLM for Strategic Retrosynthesis Prediction

Retrosynthesis prediction aims to identify reactants that can synthesize a given product molecule. Although molecular large language models (LLMs) have recently shown promising results, most existing methods either generate reactants directly or provide only generic product-level analysis, without explicitly reasoning about bond-disconnection strategies that justify specific reactant choices. This paper proposes RetroReasoner, a retrosynthetic reasoning model that captures chemists' strategic disconnection-based thinking. RetroReasoner is trained with supervised fine-tuning and reinforcement learning. For supervised fine-tuning, SyntheticRetro generates structured disconnection rationales paired with reactant predictions. For reinforcement learning, a round-trip reward evaluates predicted reactants by passing them through a forward synthesis model and rewarding predictions that reconstruct the original product. RetroReasoner can also be applied to multi-step retrosynthetic planning by incorporating it into a parallelized Monte Carlo tree search framework, reducing search time while increasing the number and diversity of valid synthetic pathways. Experimental results show that RetroReasoner outperforms prior baselines, including not only molecular LLMs but also retrosynthesis-specific expert models, and generates a broader range of feasible reactant proposals, especially for challenging reaction instances. The code is available at https://github.com/KU-AGI/RetroReasoner.
Hanbum Ko, Chanhui Lee, Ye Rin Kim +4
Feb 26, 2026cs.CV

SFL-Net: Source-Factorized Latent Representation Learning for Multi-Contrast MRI to Tau-PET Synthesis

Tau positron emission tomography supports Alzheimer's disease staging but is difficult to scale because of tracer, scanner, and radiation constraints. Synthesis from structural MRI is therefore attractive, but it is a particularly difficult setting. T1-weighted and FLAIR MRI provide anatomy and disease correlated morphology, but they do not directly measure Tau-PET relevant signal. We introduce SFL-Net, a multi-input synthesis framework that predicts Tau-PET from T1-weighted and FLAIR MRI. SFL-Net factorizes the latent representation into shared, T1-specific, FLAIR-specific, and complementary pathways and preserves anatomical detail through latent structural conditioning rather than direct encoder-decoder connections. We evaluated SFL-Net and baseline models using 605 training and 83 validation subjects from ADNI-3 and OASIS-3 datasets. Evaluation included raw image fidelity, standardized uptake value ratio agreement, high uptake overlap, regional Bland-Altman bias, braak derived stage agreement, non-inferiority sensitivity analysis, and latent component Shapley attribution. SFL-Net performed competitively on both clinically relevant and reconstruction metrics, while also delivering explicit source level auditability that conventional UNet derived models lack.
Agamdeep S. Chopra, Caitlin Neher, Tianyi Ren +3
Feb 19, 2026eess.IV

MeDUET: Disentangled Unified Pretraining for 3D Medical Image Synthesis and Analysis

Self-supervised learning (SSL) and diffusion models have respectively advanced representation learning and generative modeling for high-dimensional 3D visual data, yet they are often developed as separate paradigms. Their unification remains challenging under multi-source heterogeneity, as anatomical content must be preserved for analysis while acquisition-related style varies across centers and affects synthesis. In this paper, we propose MeDUET, a 3D Medical image Disentangled UnifiEd PreTraining framework in the variational autoencoder latent space. MeDUET formulates unified pretraining as an empirical factor identifiability problem, aiming to learn domain-invariant content factors for anatomy and domain-specific style factors for appearance. To improve factor separation, MeDUET first uses token demixing with a standard adversarial domain regularizer to establish basic content-style specialization, and further introduces Mixed Factor Token Distillation and Swap-invariance Quadruplet Contrast to reduce mixed-region factor leakage and organize factor spaces with factor-wise invariance and discriminability. With these learned factors, MeDUET transfers effectively to both synthesis and analysis, yielding higher fidelity, faster convergence, and better controllability for synthesis, while achieving competitive or superior domain generalization and label efficiency on diverse datasets, tasks, and modalities. Overall, MeDUET shows that multi-source heterogeneity can serve as useful supervision, with disentanglement providing an effective interface for unifying 3D medical image synthesis and analysis. Our code is available at https://github.com/JK-Liu7/MeDUET.
Junkai Liu, Ling Shao, Le Zhang
Jan 19, 2026cs.CV

SplatReasoner: Enhancing Embodied Reasoning and Grounding by Novel View Synthesis

Vision-Language Models (VLMs) have demonstrated strong reasoning capabilities over images and videos, yet their application to embodied scene understanding often constrained by the fixed viewpoints stored in episodic RGB-D memories. These observations may fail to capture query-relevant evidence due to occlusions, object truncation, restricted fields of view, or suboptimal view composition. We present SplatReasoner, a framework that introduces novel view synthesis into the VLM reasoning process by leveraging 3D Gaussian Splatting (3DGS). Given a user query about a 3D scene, SplatReasoner retrieves relevant observations and synthesizes query-conditioned viewpoints that reveal the visual evidence needed to answer the query and ground the referred entities in 3D. Experiments show that query-conditioned novel view synthesis improves both embodied reasoning and 3D grounding over fixed-view memory and language-embedded 3DGS baselines.
Kim Yu-Ji, Dahye Lee, Kim Jun-Seong +6
Jan 7, 2026cs.CL

InfiniteWeb: Scalable Web Environment Synthesis for GUI Agent Training

GUI agents that interact with graphical interfaces on behalf of users represent a promising direction for practical AI assistants. However, training such agents is hindered by the scarcity of suitable environments. We present InfiniteWeb, a system that automatically generates functional web environments at scale for GUI agent training. While LLMs perform well on generating a single webpage, building a realistic and functional website with many interconnected pages faces challenges. We address these challenges through unified specification, task-centric test-driven development, and a combination of website seed with reference design image to ensure diversity. Our system also generates verifiable task evaluators enabling dense reward signals for reinforcement learning. Experiments show that InfiniteWeb surpasses commercial coding agents at realistic website construction, and GUI agents trained on our generated environments achieve significant performance improvements on OSWorld and Online-Mind2Web, demonstrating the effectiveness of proposed system.
Ziyun Zhang, Zezhou Wang, Xiaoyi Zhang +4
Jan 5, 2026cs.CV

TexTailor: Inference-Time Textual Guidance Tailoring for Multimodal Diffusion Transformers

Recent breakthroughs of transformer-based diffusion models, particularly with Multimodal Diffusion Transformers (MMDiT) driven models like FLUX and Qwen Image, have facilitated thrilling experiences in visual generation. However, these models rely only on the interactions between textual conditions and visual features to produce semantically aligned images. Once the interactions fail to reflect the nuanced compositional structure of the prompt, the generated images might be unsatisfactory. Thus, a comprehensive understanding of how different blocks and their interactions with textual conditions is crucial for better understanding the intrinsic attributes and for enhancing their interactions accordingly to strengthen the prompts adherence. In this paper, we first develop a systematic pipeline to comprehensively investigate each block's functionality by \textit{removing}, \textit{disabling}, and \textit{enhancing} textual hidden-states at corresponding blocks. Our analysis reveals that 1) semantic information appears in earlier blocks and finer details are rendered in later blocks, 2) removing specific blocks is usually less disruptive than disabling text conditions, and 3) enhancing textual conditions in selective blocks improves semantic attributes. Building on these observations, we propose \method, a novel inference-time method for tailoring block-wise textual guidance. Our approach not only improves text-image alignment but also enables a range of downstream applications, including precise editing and inference acceleration. Extensive experiments demonstrated that our method outperforms various baselines and remains flexible across text-to-image generation, image editing, and inference acceleration. Our method improves T2I-Combench from 56.92% to 63.00% and GenEval from 66.42% to 71.63% on SD3.5, without sacrificing synthesis quality.
Binglei Li, Mengping Yang, Zhiyu Tan +2
Dec 4, 2025cs.CV

Geometry-Aware Single-Image 4D Synthesis via Dense Trajectory Generation

Generating interactive and dynamic 4D scenes from a single static image remains a core challenge. Most existing generate-then-reconstruct and reconstruct-then-generate methods decouple geometry from motion, causing spatiotemporal inconsistencies and poor generalization. To address these, we present MoGe4D (Motion and Geometry-Aware image-to-4D Synthesis), a geometry-conditioned framework for single-image 4D synthesis that models a scene as dense 4D point trajectories. Instead of treating geometry and dynamics as two disconnected stages, our method starts from an initial geometric prior inferred from the input image and predicts future time-varying trajectories in a diffusion process, improving spatiotemporal coherence while preserving structural stability. To support this task, we first introduce TrajScene-60K, a large-scale dataset of 60,000 video samples with dense 4D point trajectories, addressing the scarcity of high-quality training data for scene-level 4D generation. Built on this, our diffusion-based 4D Scene Trajectory Generator (4D-STraG) predicts geometry-consistent and motion-plausible trajectory fields conditioned on the input image, with a depth-guided motion normalization strategy to reduce scale ambiguity and a Motion Perception Module (MPM) to inject motion-aware priors. We further propose a 4D View Synthesis Module (4D-ViSM) to render the generated 4D representation into videos under arbitrary camera trajectories. Experiments show that MoGe4D produces high-quality 4D scenes with strong temporal coherence, favorable geometry-aware consistency, and compelling novel-view synthesis from a single image. Code: https://github.com/Zhangyr2022/MoGe4D.
Yanran Zhang, Ziyi Wang, Wenzhao Zheng +3
Nov 25, 2025cs.CV

Exo2EgoSyn: Unlocking Foundation Video Generation Models for Exocentric-to-Egocentric Video Synthesis

Foundation video generation models such as WAN 2.2 exhibit strong text- and image-conditioned synthesis abilities but remain constrained to the same-view generation setting. In this work, we introduce Exo2EgoSyn, an adaptation of WAN 2.2 that unlocks Exocentric-to-Egocentric(Exo2Ego) cross-view video synthesis. Our framework consists of three key modules. Ego-Exo View Alignment(EgoExo-Align) enforces latent-space alignment between exocentric and egocentric first-frame representations, reorienting the generative space from the given exo view toward the ego view. Multi-view Exocentric Video Conditioning (MultiExoCon) aggregates multi-view exocentric videos into a unified conditioning signal, extending WAN2.2 beyond its vanilla single-image or text conditioning. Furthermore, Pose-Aware Latent Injection (PoseInj) injects relative exo-to-ego camera pose information into the latent state, guiding geometry-aware synthesis across viewpoints. Together, these modules enable high-fidelity ego view video generation from third-person observations without retraining from scratch. Experiments on ExoEgo4D validate that Exo2EgoSyn significantly improves Ego2Exo synthesis, paving the way for scalable cross-view video generation with foundation models. Source code and models will be released publicly.
Mohammad Mahdi, Yuqian Fu, Nedko Savov +3
Nov 13, 2025cs.DC

Scalable Synthesis of distributed LLM workloads through Symbolic Tensor Graphs

Optimizing the performance of large language models (LLMs) on large-scale AI training and inference systems requires a scalable and expressive mechanism to model distributed workload execution. Such modeling is essential for pre-deployment system-level optimizations (e.g., parallelization strategies) and hardware design-space explorations. While recent efforts have proposed collecting execution traces from real systems, access to large-scale infrastructure remains limited to major cloud providers. Moreover, traces capturing execution on a specific platform cannot be easily adapted to study alternate software and/or hardware configurations, especially at scale. We introduce STAGE, a framework that synthesizes high-fidelity execution graphs to accurately model distributed AI workloads (including LLMs and MoEs). STAGE supports a comprehensive set of parallelization strategies, allowing users to systematically explore a wide spectrum of model architectures and system configurations. STAGE demonstrates its scalability by synthesizing high-fidelity LLM traces spanning over 128K GPUs, while preserving tensorlevel accuracy in compute, memory, and communication. STAGE is publicy available at https://github.com/astra-sim/stage
Changhai Man, Joongun Park, Hanjiang Wu +3
Oct 28, 2025cs.DL

LeMat-Synth: a multi-modal toolbox to curate broad synthesis procedure databases from scientific literature

Wide access to advanced experimental methods in materials science has given rise to an abundance of procedural knowledge, which is scattered across decades of scientific literature and recorded in unstructured formats that are challenging to analyze systematically. In this work, we present LeMat-Synth Parser, a modular, open-source, and multi-modal extraction toolbox that utilizes large language models (LLMs) and vision language models (VLMs) to automatically structure synthesis protocols and performance metrics extracted from both text and figures of publications. Applying LeMat-Synth Parser to 81K open-access publications, we curate LeMat-Synth, an extensive dataset of 58K synthesis procedures and to our knowledge the largest and most diverse structured inorganic materials synthesis dataset to date, covering 35 synthesis methods and 16 material classes based on a domain-specific ontology. We validate extraction quality against annotations by domain experts and a scalable LLM-as-a-judge framework, and benchmark a suite of models to identify optimal configurations and characterize cross-model biases. To demonstrate the extensibility of LeMat-Synth Parser, we apply it to two distinct domains. First, we link synthesis protocols and catalyst identity to thermocatalytic performance across a corpus of ammonia-decomposition publications. Second, we cross-validate text- and figure-reported critical transition temperatures across 1,384 superconductivity papers, then use the validated pipeline to recover the critical transition temperature for every composition in a sample series. We release LeMat-Synth Parser and the LeMat-Synth dataset openly on GitHub and Hugging Face
Magdalena Lederbauer, Siddharth Betala, Valerie Gentzke +22
Oct 22, 2025cond-mat.mtrl-sci

Synthesizability Prediction of Crystalline Structures with Structure-Aware Feature Learning and Uncertainty Quantification

Predicting which hypothetical inorganic crystals can be experimentally realized remains a central challenge in accelerating materials discovery. SyntheFormer is a positive-unlabeled framework that learns synthesizability directly from crystal structure, combining Fourier-transformed crystal properties (FTCP) representation with structure-aware feature extraction, Random-Forest feature selection, and a compact deep MLP classifier. The model is trained on historical data from 2011 through 2018 and evaluated prospectively on future years from 2019 to 2025, where the positive class constitutes only 1.02 percent of samples. Under this temporally separated evaluation, SyntheFormer achieves a test AUC of 0.735, AUPRC of 0.099 and 97.6 percent recall at 94.2 percent coverage with dual-threshold calibration. Direct prospective validation supports this result as two materials that were unlabeled at the time of data curation, Y6Fe(SiS7)2 and BaYb2F8, were assigned high SyntheFormer scores (0.961 and 0.753, respectively) and were subsequently reported experimentally. Crucially, the model recovers experimentally confirmed metastable compounds that lie far from the convex hull and simultaneously assigns low scores to many thermodynamically stable yet unsynthesized candidates, demonstrating that stability alone is insufficient to predict experimental attainability.
Danial Ebrahimzadeh, Sarah Sharif, Yaser Mike Banad
Aug 7, 2025cs.AI

Large Language Models Transform Organic Synthesis From Reaction Prediction to Automation

Large language models (LLMs) are beginning to reshape how organic-synthesis workflows are represented, queried, planned, and connected to experimental automation. Assessing their contribution is not straightforward because reaction-specific transformers, chemistry-adapted LLMs, tool-using agents, optimizers, and autonomous laboratories are often discussed under the same broad terminology despite operating at different levels of the synthesis workflow. This Review traces the progression from reaction prediction and retrosynthetic planning to reaction development, literature-to-protocol translation, and robotic execution, with representative numerical claims verified against primary sources available through 4 September 2026. We examine where language models provide genuine added value, where established specialist methods remain the principal source of performance, and how retrieval, uncertainty-aware optimization, deterministic chemistry tools, robotics, sensing, and human oversight alter system behavior. The evidence shows a clear transition from isolated language-model demonstrations toward modular scientific systems that combine broad language priors with specialized computation and experimentally grounded feedback. Emerging work on multimodal reaction understanding, standardized tool interoperability, provenance-aware execution, and programmable laboratory infrastructure extends this transition further. Despite this progress, reliable deployment continues to depend on generalization beyond historical reaction corpora, calibrated uncertainty, transparent component attribution, safety controls, reproducible system state, and prospective experimental validation.
Kartar Kumar, Rajesh Kumar, Nikesh Lagun
Jun 26, 2025cs.CV

Step-by-Step Video-to-Audio Synthesis via Negative Audio Guidance

We propose a step-by-step video-to-audio (V2A) generation method that provides finer control over the generation process and more realistic audio synthesis. Inspired by traditional Foley workflows, our approach enables incremental generation of complementary sounds, allowing users to author multiple sound events induced by a video. To avoid the need for costly multi-reference video-audio datasets, each generation step is formulated as a negatively guided V2A process that discourages duplication of sounds already present in previously generated tracks. The guidance model is trained by finetuning a pre-trained V2A model on audio pairs from non-overlapping segments of the same video, encouraging it to leverage acoustic context while remaining visually grounded, and enabling training with standard single-reference audiovisual datasets. Objective and subjective evaluations demonstrate that our method enhances the separability of generated sounds at each step and improves the overall quality of the final composite audio, outperforming existing baselines. Our project page is available at: https://ahykw.github.io/sbsv2a/.
Akio Hayakawa, Masato Ishii, Takashi Shibuya +1
May 31, 2025cs.CV

From Alignment to Synthesis: Contrastive Volumetric Grounding for Text-to-CT Generation

Generating semantically controllable 3D CT volumes from radiology reports requires more than a rich text encoder, it requires vision-language alignment grounded in volumetric space. Existing Text-to-CT approaches condition generation on encoders pretrained with language only or 2D vision-language objectives, providing conditioning signals that are linguistically expressive but volumetrically blind. We argue this is a structural limitation: the quality of 3D vision-language alignment, not the richness of the text encoder, is the primary bottleneck for semantic controllability in volumetric diffusion models. To address this, we propose a generation-oriented 3D-CLIP encoder trained with structured hard negatives that operate exclusively at the text level. This design increases contrastive difficulty without any additional 3D memory cost, overcoming the small-batch constraints inherent to volumetric encoders. The resulting encoder conditions a fully end-to-end latent diffusion model that operates directly in 3D latent space, eliminating the spatial artifacts and cross-slice inconsistencies introduced by super-resolution pipelines. Through systematic ablations, we establish a clear empirical link between grounding quality and downstream generative controllability. Evaluated on CT-RATE across 18 pathological conditions, our method achieves state-of-the-art performance on both image fidelity and factual correctness, while requiring less inference time and GPU memory than all competing methods. Code is at https://github.com/danielemolino/Text2CT.
Daniele Molino, Camillo Maria Caruso, Filippo Ruffini +2
Apr 3, 2025cs.CL

LearNAT: Learning NL2SQL with AST-guided Task Decomposition for Large Language Models

Natural Language to SQL (NL2SQL) aims to translate natural language queries into executable SQL statements, offering non-expert users intuitive access to databases. While recent approaches leveraging large-scale private LLMs such as GPT-4 have achieved state-of-the-art results, they face two critical challenges: the lack of openness and reproducibility, and the prohibitive computational cost of test-time scaling. To address these issues, we explore improving the model-level performance of small-scale public LLMs in NL2SQL under resource-constrained settings. Our exploratory experiments reveal the potential of task decomposition for enhancing NL2SQL performance, but also highlight the difficulty of enabling LLMs to decompose queries effectively. Motivated by these findings, we propose LearNAT, a novel framework designed to enhance decomposition capabilities of LLM. LearNAT introduces (1) a Decomposition Synthesis Procedure, which leverages AST-guided search with pruning strategies to generate verifiable and efficient decompositions, and (2) Margin-Aware Reinforcement Learning, which provides fine-grained preference optimization for multi-step reasoning beyond standard DPO. Extensive experiments on benchmark datasets demonstrate that LearNAT significantly improves the performance of small-scale LLMs, achieving results comparable to GPT-4 with only a 7B parameter model. These results validate the effectiveness of verifiable decomposition and fine-grained preference learning in advancing NL2SQL towards openness, transparency, and efficiency. Our code is publicly available at https://github.com/MrBlankness/LearNAT.
Weibin Liao, Xin Gao, Tianyu Jia +6
Oct 3, 2024cs.CV

SynCo: Synthetic Hard Negatives for Contrastive Visual Representation Learning

Contrastive learning relies on informative negatives to shape the representation space, yet obtaining hard negatives is costly, often requiring large batch sizes or extensive memory banks. We propose SynCo (Synthetic negatives in Contrastive learning), an approach that synthesizes hard negatives directly in the representation space from cached queue embeddings, with no additional forward passes or input-space processing. We find that six lightweight synthesis strategies, exhaustively covering the geometric, stochastic, and adversarial perturbation families, consistently improve learned representations at negligible computational cost. Although applicable to any InfoNCE-based contrastive objective, we demonstrate SynCo within the MoCo framework. On ImageNet ILSVRC-2012 linear evaluation at 200 epochs, SynCo yields improvements of +0.4% over MoCo-v2 and +1.0% over MoCHi. Unlike MoCHi, which degrades at extended pretraining schedules (underperforming MoCo-v2 by 2.4% at 800 epochs), SynCo does not: with a simple synthetic negative schedule, performance improves by +0.5% over MoCo-v2 at 800 epochs. SynCo also transfers well to a range of downstream tasks.
Nikos Giakoumoglou, Tania Stathaki
Nov 30, 2023cs.CV

SparseGS: Sparse View Synthesis using 3D Gaussian Splatting

3D Gaussian Splatting (3DGS) has recently enabled real-time rendering of unbounded 3D scenes for novel view synthesis. However, this technique requires dense training views to accurately reconstruct 3D geometry. A limited number of input views will significantly degrade reconstruction quality, resulting in artifacts such as "floaters" and "background collapse" at unseen viewpoints. In this work, we introduce SparseGS, an efficient training pipeline designed to address the limitations of 3DGS in scenarios with sparse training views. SparseGS incorporates depth priors, novel depth rendering techniques, and a pruning heuristic to mitigate floater artifacts, alongside an Unseen Viewpoint Regularization module to alleviate background collapses. Our extensive evaluations on the Mip-NeRF360, LLFF, and DTU datasets demonstrate that SparseGS achieves high-quality reconstruction in both unbounded and forward-facing scenarios, with as few as 12 and 3 input images, respectively, while maintaining fast training and real-time rendering capabilities.
Haolin Xiong, Sairisheek Muttukuru, Hanyuan Xiao +4