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Aug 26

Agentic Proof and Property-Based Testing via Property-Templates in Data-Intensive Computing

As the cost of code generation becomes cheaper with AI, the new bottleneck in software engineering has shifted to intent specification and validation. Overcoming this durability crisis of AI-driven coding requires more than traditional fuzzing: each candidate property must be proven correct over a model and shown to hold on the real implementation, making formal proof and systematic property-based testing (PBT) complementary. However, validating properties this way at scale requires solving two subproblems: verifying candidate properties and operationalizing PBT without AI hallucination. We hypothesize that recurring property patterns, cast as property templates--abstract, parameterized forms with holes--address both at once. This paper investigates recurring property patterns in Apache Spark. In data-intensive scalable computing systems, correctness properties arise from the principles of data partition, computation decomposition, and dataflow computation. For instance, aggregation decomposition relates a global function executed on the entire dataset to a local function followed by a recombiner. We design an agentic, dual-track validation framework that uses property templates to formally verify correctness in the Lean 4 theorem prover and instantiate PBT templates as executable PySpark tests. Our evaluation shows that property templates increase agentic proof engineering success by up to 2.6x (1.6x on average) and reduce proof hallucinations by 59%. Template-guided PBT synthesis reduces intent misalignments from 22 to 1 and cuts synthesis cost by up to 5.7x (3.8x on average). Template-guided synthesis further exceeds a state-of-the-art Spark fuzzer and approaches unguided LLM-based PBT on code coverage. Finally, comparing the two tracks is informative: when a proof succeeds yet a PBT finds a counterexample, the mismatch identifies a gap between the formal model and implementation.

  • 3 authors
·
Jul 9

How Eviction Court Governs: A Statistical Analysis of Bargaining, Templates, and Debt in Philadelphia

We analyze downstream courtroom governance in Philadelphia eviction cases using 755,004 Municipal Court landlord--tenant records filed from 1969 through 2022. Post-filing case processing is organized by repeated courtroom relationships, judge and tenant-attorney regimes, reusable agreement templates, and repeated team-property units. Among both-represented, both-attorney-named cases, 58.2% involve a plaintiff-side and tenant-side attorney pair that had appeared against one another in the prior year, and greater prior pair exposure predicts lower default, higher judgment-by-agreement, and higher served-writ rates. Judge-linked cases display statistically distinct baseline outcome, continuance, fee, and award regimes; tenant-attorney identity explains meaningful variance in both case outcomes and agreement terms. Settlement text is highly standardized: reusable templates explain strictness, waiver, lockout-trigger, payment-plan, deadline, and time-is-essence language far more strongly than raw attorney identity. Monetary burden concentrates in repeated plaintiff-attorney-property units. Assignment-cell support and balance audits indicate that judge-linked evidence reflects institutional heterogeneity rather than a clean judge lottery, and judge--triad interactions are not estimable in this docket. Eviction court emerges as a repeated institutional field that organizes bargaining, text, debt, and enforcement after cases enter the courtroom pipeline.

  • 2 authors
·
May 23

AttriLens-Mol: Attribute Guided Reinforcement Learning for Molecular Property Prediction with Large Language Models

Large Language Models (LLMs) have shown promise in assisting molecular property prediction tasks but often rely on human-crafted prompts and chain-of-thought templates. While recent advanced large reasoning models like DeepSeek-R1 employ reinforcement learning for an extended ``thinking'' process, their reasoning can be verbose and lack relevance. We introduce AttriLens-Mol, an attribute-guided reinforcement learning framework for molecular property prediction with LLMs. AttriLens-Mol steers the model's reasoning by using: (1) a format reward encouraging attribute-based structured output, (2) a count reward to avoid enumerating irrelevant attributes, and (3) a rationality reward using advanced LLMs and RDKit to verify the relatedness of the generated attributes. This approach implicitly elicits the model's inherent knowledge of relevant molecular attributes during reasoning, enables making predictions for the molecular property more effectively. Experiments on both in-distribution and out-of-distribution datasets show that, training both 7B-size R1-Distilled-Qwen2.5 and R1-Distilled-LLaMA3.1 models on 4,000 samples with our proposed AttriLens-Mol method significantly boosts the performance, getting comparable or better results than supervised fine-tuning models (Mol-Instructions, ChemDFM, etc.) and advanced models (GPT-3.5, GPT-4o, DeepSeek-V3, DeepSeek-R1, etc.). Further, our extracted attributes for the target property, when used as features for an interpretable decision tree model, yield superior performance compared to attributes generated by prompting LLMs. This shows that AttriLens-Mol effectively elicits more relevant and predictive molecular attributes, leading to enhanced interpretability and performance for property prediction. We release the code in https://github.com/szu-tera/AttriLens-Mol.

  • 3 authors
·
Aug 6, 2025

EvoLlama: Enhancing LLMs' Understanding of Proteins via Multimodal Structure and Sequence Representations

Current Large Language Models (LLMs) for understanding proteins primarily treats amino acid sequences as a text modality. Meanwhile, Protein Language Models (PLMs), such as ESM-2, have learned massive sequential evolutionary knowledge from the universe of natural protein sequences. Furthermore, structure-based encoders like ProteinMPNN learn the structural information of proteins through Graph Neural Networks. However, whether the incorporation of protein encoders can enhance the protein understanding of LLMs has not been explored. To bridge this gap, we propose EvoLlama, a multimodal framework that connects a structure-based encoder, a sequence-based protein encoder and an LLM for protein understanding. EvoLlama consists of a ProteinMPNN structure encoder, an ESM-2 protein sequence encoder, a multimodal projector to align protein and text representations and a Llama-3 text decoder. To train EvoLlama, we fine-tune it on protein-oriented instructions and protein property prediction datasets verbalized via natural language instruction templates. Our experiments show that EvoLlama's protein understanding capabilities have been significantly enhanced, outperforming other fine-tuned protein-oriented LLMs in zero-shot settings by an average of 1%-8% and surpassing the state-of-the-art baseline with supervised fine-tuning by an average of 6%. On protein property prediction datasets, our approach achieves promising results that are competitive with state-of-the-art task-specific baselines. We will release our code in a future version.

  • 7 authors
·
Dec 16, 2024

Diffusion Templates: A Unified Plugin Framework for Controllable Diffusion

Controllable diffusion methods have substantially expanded the practical utility of diffusion models, but they are typically developed as isolated, backbone-specific systems with incompatible training pipelines, parameter formats, and runtime hooks. This fragmentation makes it difficult to reuse infrastructure across tasks, transfer capabilities across backbones, or compose multiple controls within a single generation pipeline. We present Diffusion Templates, a unified and open plugin framework that decouples base-model inference from controllable capability injection. The framework is organized around three components: Template models that map arbitrary task-specific inputs to an intermediate capability representation, a Template cache that functions as a standardized interface for capability injection, and a Template pipeline that loads, merges, and injects one or more Template caches into the base diffusion runtime. Because the interface is defined at the systems level rather than tied to a specific control architecture, heterogeneous capability carriers such as KV-Cache and LoRA can be supported under the same abstraction. Based on this design, we build a diverse model zoo spanning structural control, brightness adjustment, color adjustment, image editing, super-resolution, sharpness enhancement, aesthetic alignment, content reference, local inpainting, and age control. These case studies show that Diffusion Templates can unify a broad range of controllable generation tasks while preserving modularity, composability, and practical extensibility across rapidly evolving diffusion backbones. All resources will be open sourced, including code, models, and datasets.

  • 3 authors
·
Apr 26 3

Training and Evaluating Language Models with Template-based Data Generation

The rapid advancement of large language models (LLMs) such as GPT-3, PaLM, and Llama has significantly transformed natural language processing, showcasing remarkable capabilities in understanding and generating language. However, these models often struggle with tasks requiring complex reasoning, particularly in mathematical problem-solving, due in part to the scarcity of large-scale, high-quality, domain-specific datasets necessary for training sophisticated reasoning abilities. To address this limitation, we introduce Template-based Data Generation (TDG), a novel approach that leverages LLMs (GPT-4) to automatically generate parameterized meta-templates, which are then used to synthesize a vast array of high-quality problems and solutions. Leveraging TDG, we create TemplateMath Part I: TemplateGSM, a dataset comprising over 7 million synthetically generated grade school math problems--each accompanied by code-based and natural language solutions--with the potential to generate an effectively unlimited number more. This dataset alleviates the scarcity of large-scale mathematical datasets and serves as a valuable resource for pre-training, fine-tuning, and evaluating LLMs in mathematical reasoning. Our method not only enables the generation of virtually infinite data but also elevates data augmentation to a new level by using GPT-4 for meta-template generation, ensuring diverse and high-quality problem structures. The TemplateMath Part I: TemplateGSM dataset is publicly available at https://huggingface.co/datasets/math-ai/TemplateGSM. The code is available at https://github.com/iiis-ai/TemplateMath.

math-ai math-ai
·
Nov 27, 2024 3

Compiler Testing using Template Java Programs

We present JAttack, a framework that enables template-based testing for compilers. Using JAttack, a developer writes a template program that describes a set of programs to be generated and given as test inputs to a compiler. Such a framework enables developers to incorporate their domain knowledge on testing compilers, giving a basic program structure that allows for exploring complex programs that can trigger sophisticated compiler optimizations. A developer writes a template program in the host language (Java) that contains holes to be filled by JAttack. Each hole, written using a domain-specific language, constructs a node within an extended abstract syntax tree (eAST). An eAST node defines the search space for the hole, i.e., a set of expressions and values. JAttack generates programs by executing templates and filling each hole by randomly choosing expressions and values (available within the search space defined by the hole). Additionally, we introduce several optimizations to reduce JAttack's generation cost. While JAttack could be used to test various compiler features, we demonstrate its capabilities in helping test just-in-time (JIT) Java compilers, whose optimizations occur at runtime after a sufficient number of executions. Using JAttack, we have found six critical bugs that were confirmed by Oracle developers. Four of them were previously unknown, including two unknown CVEs (Common Vulnerabilities and Exposures). JAttack shows the power of combining developers' domain knowledge (via templates) with random testing to detect bugs in JIT compilers.

  • 4 authors
·
Sep 9, 2022

CreatiPoster: Towards Editable and Controllable Multi-Layer Graphic Design Generation

Graphic design plays a crucial role in both commercial and personal contexts, yet creating high-quality, editable, and aesthetically pleasing graphic compositions remains a time-consuming and skill-intensive task, especially for beginners. Current AI tools automate parts of the workflow, but struggle to accurately incorporate user-supplied assets, maintain editability, and achieve professional visual appeal. Commercial systems, like Canva Magic Design, rely on vast template libraries, which are impractical for replicate. In this paper, we introduce CreatiPoster, a framework that generates editable, multi-layer compositions from optional natural-language instructions or assets. A protocol model, an RGBA large multimodal model, first produces a JSON specification detailing every layer (text or asset) with precise layout, hierarchy, content and style, plus a concise background prompt. A conditional background model then synthesizes a coherent background conditioned on this rendered foreground layers. We construct a benchmark with automated metrics for graphic-design generation and show that CreatiPoster surpasses leading open-source approaches and proprietary commercial systems. To catalyze further research, we release a copyright-free corpus of 100,000 multi-layer designs. CreatiPoster supports diverse applications such as canvas editing, text overlay, responsive resizing, multilingual adaptation, and animated posters, advancing the democratization of AI-assisted graphic design. Project homepage: https://github.com/graphic-design-ai/creatiposter

  • 9 authors
·
Jun 12, 2025 2

AXIOM: A Trust-First Neuro-Symbolic Execution Architecture for Verifiable Mathematical Reasoning

We present AXIOM, a trust-first neuro-symbolic execution architecture for natural-language mathematical reasoning. In AXIOM, the language model functions strictly as a canonicalizer: it rewrites informal problem text into a narrow schema consumed by a deterministic Computer-Algebra-System (CAS) pipeline, which derives and verifies the answer or abstains as a first-class output. Routing follows a 1:1:1 alignment between problem-shape regex, schema-specific prompt, and closed-form CAS handler, with 3,100+ such routes shipped and zero LOST_CORRECT regressions across 250+ consecutive ship commits. We report empirical results on 4 MATH categories with a cumulative correctness of 94.36% (2,592/2,747) at 100.00% trust on parseable (zero confident-wrong answers across the full 2,747-record benchmark), all four domains above the per-domain 70/90/70 floor with per-domain trust at 100.0%, and median latency of 1 ms on rule-only handlers (88% of records on the lm-eval arithmetic 20,000-record benchmark). The architecture has served ~30,000 production queries through a public deployment. The contribution we emphasize is not a final accuracy figure but the forward dynamic the architecture establishes: every logged abstain in production is a candidate correct after one ship cycle, since new tasks compose without regressing the registry. The operational discipline behind this property -- math-template bucketing, LOST_CORRECT scan as regression oracle, parseable-first onboarding, and abstain as first-class output -- constitutes a transferable framework for trustworthy neuro-symbolic systems beyond mathematics.

  • 1 authors
·
May 29

Generic Constraint Projection: Four-Dimensional Type Inference for Dynamic Languages

Type inference for dynamically typed languages must reconcile four qualitatively different sources of information about a parameter: values assigned inside a definition, explicit declarations, contextual requirements, and structural operations. Existing systems often combine these sources into one constraint set, causing spurious conflicts and requiring redundant annotations. We present Generic Constraint Projection (GCP), a zero-annotation inference framework that stores the four sources in separate monotone slots on a stable definition-time template and checks each call in a fresh projection session. Ordinary calls verify concrete arguments and specialize returns without mutating the template, while partial calls produce residual projected functions. On the success fragment of a finite-height type preorder, we prove monotonicity, local and global convergence, conditional projection-obligation soundness, projection termination, multi-module convergence, and order-independence under fair iteration. For the pure recursion-free core Outline_0, we also prove evaluation definedness, type preservation, runtime receiver retention, and projection-evaluation coherence. GCP uses Outline Equational Matching as an extensible structural compatibility relation and future this to preserve concrete receiver shape across fluent method chains. We instantiate the framework in Outline for typed ontology worlds and in Python for recovery of PEP 484 annotations from unannotated source.

  • 1 authors
·
Jul 22

Architect-Ant: Editable Automatic Furnishing of Architectural Floor Plans

Furnished floor plans are fundamental to real estate visualization, interior design, and architectural workflows. However, progress in automatic furniture arrangement has been limited by the lack of real, professionally designed floor-plan datasets with object-level furniture annotations. To address this gap, we introduce AntPlan-270, a curated dataset of 270 architectural floor plans with per-room furniture bounding box annotations across ten residential room categories. Building on this dataset, we present Architect-Ant, an editable automatic furnishing framework powered by a fine-tuned vision-language model. Furniture layouts are represented using a compact, coordinate-based domain-specific language (DSL) that encodes object categories and placements relative to the room geometry. To improve spatial reasoning, we generate procedural reasoning traces that capture architectural constraints such as wall alignment, door and window clearance, circulation, fixture compatibility, and room-specific furniture inventories, and use them to supervise fine-tuning of the model. We then apply preference optimization over candidate object placements to further refine layout quality. The generated DSL can be rasterized into semantic masks and used to condition a Flux-based LoRA renderer, producing realistic blueprint-style furnished floor-plan images while preserving the editable symbolic layout. Experiments on layout furnishing show that Architect-Ant produces geometrically valid and functionally plausible layouts, and suggest a scalable path for furnishing larger structure-only floor-plan datasets.

  • 5 authors
·
Jun 8

Deployability-Centric Infrastructure-as-Code Generation: Fail, Learn, Refine, and Succeed through LLM-Empowered DevOps Simulation

Infrastructure-as-Code (IaC) generation holds significant promise for automating cloud infrastructure provisioning. Recent advances in Large Language Models (LLMs) present a promising opportunity to democratize IaC development by generating deployable infrastructure templates from natural language descriptions. However, current evaluation focuses on syntactic correctness while ignoring deployability, the critical measure of the utility of IaC configuration files. Six state-of-the-art LLMs performed poorly on deployability, achieving only 20.8sim30.2% deployment success rate on the first attempt. In this paper, we construct DPIaC-Eval, the first deployability-centric IaC template benchmark consisting of 153 real-world scenarios cross 58 unique services. Also, we propose an LLM-based deployability-centric framework, dubbed IaCGen, that uses iterative feedback mechanism encompassing format verification, syntax checking, and live deployment stages, thereby closely mirroring the real DevOps workflows. Results show that IaCGen can make 54.6sim91.6% generated IaC templates from all evaluated models deployable in the first 10 iterations. Additionally, human-in-the-loop feedback that provide direct guidance for the deployability errors, can further boost the performance to over 90% passItr@25 on all evaluated LLMs. Furthermore, we explore the trustworthiness of the generated IaC templates on user intent alignment and security compliance. The poor performance (25.2% user requirement coverage and 8.4% security compliance rate) indicates a critical need for continued research in this domain.

  • 5 authors
·
Jan 10

OpenFACADES: An Open Framework for Architectural Caption and Attribute Data Enrichment via Street View Imagery

Building properties, such as height, usage, and material composition, play a crucial role in spatial data infrastructures, supporting applications such as energy simulation, risk assessment, and environmental modeling. Despite their importance, comprehensive and high-quality building attribute data remain scarce in many urban areas. Recent advances have enabled the extraction and tagging of objective building attributes using remote sensing and street-level imagery. However, establishing a method and pipeline that integrates diverse open datasets, acquires holistic building imagery at scale, and infers comprehensive building attributes remains a significant challenge. Among the first, this study bridges the gaps by introducing OpenFACADES, an open framework that leverages multimodal crowdsourced data to enrich building profiles with both objective attributes and semantic descriptors through multimodal large language models. Our methodology proceeds in three major steps. First, we integrate street-level image metadata from Mapillary with OpenStreetMap geometries via isovist analysis, effectively identifying images that provide suitable vantage points for observing target buildings. Second, we automate the detection of building facades in panoramic imagery and tailor a reprojection approach to convert objects into holistic perspective views that approximate real-world observation. Third, we introduce an innovative approach that harnesses and systematically investigates the capabilities of open-source large vision-language models (VLMs) for multi-attribute prediction and open-vocabulary captioning in building-level analytics, leveraging a globally sourced dataset of 30,180 labeled images from seven cities. Evaluation shows that fine-tuned VLM excel in multi-attribute inference, outperforming single-attribute computer vision models and zero-shot ChatGPT-4o.

  • 5 authors
·
Apr 1, 2025

LayoutPrompter: Awaken the Design Ability of Large Language Models

Conditional graphic layout generation, which automatically maps user constraints to high-quality layouts, has attracted widespread attention today. Although recent works have achieved promising performance, the lack of versatility and data efficiency hinders their practical applications. In this work, we propose LayoutPrompter, which leverages large language models (LLMs) to address the above problems through in-context learning. LayoutPrompter is made up of three key components, namely input-output serialization, dynamic exemplar selection and layout ranking. Specifically, the input-output serialization component meticulously designs the input and output formats for each layout generation task. Dynamic exemplar selection is responsible for selecting the most helpful prompting exemplars for a given input. And a layout ranker is used to pick the highest quality layout from multiple outputs of LLMs. We conduct experiments on all existing layout generation tasks using four public datasets. Despite the simplicity of our approach, experimental results show that LayoutPrompter can compete with or even outperform state-of-the-art approaches on these tasks without any model training or fine-tuning. This demonstrates the effectiveness of this versatile and training-free approach. In addition, the ablation studies show that LayoutPrompter is significantly superior to the training-based baseline in a low-data regime, further indicating the data efficiency of LayoutPrompter. Our project is available at https://github.com/microsoft/LayoutGeneration/tree/main/LayoutPrompter.

  • 6 authors
·
Nov 11, 2023

Widget2Code: From Visual Widgets to UI Code via Multimodal LLMs

User interface to code (UI2Code) aims to generate executable code that can faithfully reconstruct a given input UI. Prior work focuses largely on web pages and mobile screens, leaving app widgets underexplored. Unlike web or mobile UIs with rich hierarchical context, widgets are compact, context-free micro-interfaces that summarize key information through dense layouts and iconography under strict spatial constraints. Moreover, while (image, code) pairs are widely available for web or mobile UIs, widget designs are proprietary and lack accessible markup. We formalize this setting as the Widget-to-Code (Widget2Code) and introduce an image-only widget benchmark with fine-grained, multi-dimensional evaluation metrics. Benchmarking shows that although generalized multimodal large language models (MLLMs) outperform specialized UI2Code methods, they still produce unreliable and visually inconsistent code. To address these limitations, we develop a baseline that jointly advances perceptual understanding and structured code generation. At the perceptual level, we follow widget design principles to assemble atomic components into complete layouts, equipped with icon retrieval and reusable visualization modules. At the system level, we design an end-to-end infrastructure, WidgetFactory, which includes a framework-agnostic widget-tailored domain-specific language (WidgetDSL) and a compiler that translates it into multiple front-end implementations (e.g., React, HTML/CSS). An adaptive rendering module further refines spatial dimensions to satisfy compactness constraints. Together, these contributions substantially enhance visual fidelity, establishing a strong baseline and unified infrastructure for future Widget2Code research.

  • 13 authors
·
Mar 25

BadTemplate: A Training-Free Backdoor Attack via Chat Template Against Large Language Models

Chat template is a common technique used in the training and inference stages of Large Language Models (LLMs). It can transform input and output data into role-based and templated expressions to enhance the performance of LLMs. However, this also creates a breeding ground for novel attack surfaces. In this paper, we first reveal that the customizability of chat templates allows an attacker who controls the template to inject arbitrary strings into the system prompt without the user's notice. Building on this, we propose a training-free backdoor attack, termed BadTemplate. Specifically, BadTemplate inserts carefully crafted malicious instructions into the high-priority system prompt, thereby causing the target LLM to exhibit persistent backdoor behaviors. BadTemplate outperforms traditional backdoor attacks by embedding malicious instructions directly into the system prompt, eliminating the need for model retraining while achieving high attack effectiveness with minimal cost. Furthermore, its simplicity and scalability make it easily and widely deployed in real-world systems, raising serious risks of rapid propagation, economic damage, and large-scale misinformation. Furthermore, detection by major third-party platforms HuggingFace and LLM-as-a-judge proves largely ineffective against BadTemplate. Extensive experiments conducted on 5 benchmark datasets across 6 open-source and 3 closed-source LLMs, compared with 3 baselines, demonstrate that BadTemplate achieves up to a 100% attack success rate and significantly outperforms traditional prompt-based backdoors in both word-level and sentence-level attacks. Our work highlights the potential security risks raised by chat templates in the LLM supply chain, thereby supporting the development of effective defense mechanisms.

  • 5 authors
·
Feb 5

Use Property-Based Testing to Bridge LLM Code Generation and Validation

Large Language Models (LLMs) excel at code generation, but ensuring their outputs to be functionally correct, especially in complex programming tasks, is a persistent challenge. While traditional Test-Driven Development (TDD) offers a path for code refinement, its efficacy with LLMs is often undermined by the scarcity of high-quality test cases or the pitfalls of automated test generation, including biased tests or inaccurate output predictions that can misdirect the correction process. This paper introduces Property-Generated Solver, a novel framework that leverages Property-Based Testing (PBT) to validate high-level program properties or invariants, instead of relying on specific input-output examples. These properties are often simpler to define and verify than directly predicting exhaustive test oracles, breaking the "cycle of self-deception" where tests might share flaws with the code they are meant to validate. Property-Generated Solver employs two collaborative LLM-based agents: a Generator dedicated to code generation and iterative refinement, and a Tester that manages the PBT life-cycle and formulate semantically rich feedback from property violations. The resulting comprehensive and actionable feedback then guides the Generator in its refinement efforts. By establishing PBT as the core validation engine within this iterative, closed-loop paradigm, Property-Generated Solver provides a robust mechanism for steering LLMs towards more correct and generalizable code. Extensive experimental results on multiple code generation benchmarks demonstrate that Property-Generated Solver achieves substantial pass@1 improvements, ranging from 23.1% to 37.3% relative gains over established TDD methods.

  • 6 authors
·
Jun 23, 2025 1

Discovery and recovery of crystalline materials with property-conditioned transformers

Generative models have recently shown great promise for accelerating the design and discovery of new functional materials. Conditional generation enhances this capacity by allowing inverse design, where specific desired properties can be requested during the generation process. However, conditioning of transformer-based approaches, in particular, is constrained by discrete tokenisation schemes and the risk of catastrophic forgetting during fine-tuning. This work introduces CrystaLLM-π (property injection), a conditional autoregressive framework that integrates continuous property representations directly into the transformer's attention mechanism. Two architectures, Property-Key-Value (PKV) Prefix attention and PKV Residual attention, are presented. These methods bypass inefficient sequence-level tokenisation and preserve foundational knowledge from unsupervised pre-training on Crystallographic Information Files (CIFs) as textual input. We establish the efficacy of these mechanisms through systematic robustness studies and evaluate the framework's versatility across two distinct tasks. First, for structure recovery, the model processes high-dimensional, heterogeneous X-ray diffraction patterns, achieving structural accuracy competitive with specialised models and demonstrating applications to experimental structure recovery and polymorph differentiation. Second, for materials discovery, the model is fine-tuned on a specialised photovoltaic dataset to generate novel, stable candidates validated by Density Functional Theory (DFT). It implicitly learns to target optimal band gap regions for high photovoltaic efficiency, demonstrating a capability to map complex structure-property relationships. CrystaLLM-π provides a unified, flexible, and computationally efficient framework for inverse materials design.

  • 8 authors
·
Nov 26, 2025

Learning the Wrong Lessons: Syntactic-Domain Spurious Correlations in Language Models

For an LLM to correctly respond to an instruction it must understand both the semantics and the domain (i.e., subject area) of a given task-instruction pair. However, syntax can also convey implicit information Recent work shows that syntactic templates -- frequent sequences of Part-of-Speech (PoS) tags -- are prevalent in training data and often appear in model outputs. In this work we characterize syntactic templates, domain, and semantics in task-instruction pairs. We identify cases of spurious correlations between syntax and domain, where models learn to associate a domain with syntax during training; this can sometimes override prompt semantics. Using a synthetic training dataset, we find that the syntactic-domain correlation can lower performance (mean 0.51 +/- 0.06) on entity knowledge tasks in OLMo-2 models (1B-13B). We introduce an evaluation framework to detect this phenomenon in trained models, and show that it occurs on a subset of the FlanV2 dataset in open (OLMo-2-7B; Llama-4-Maverick), and closed (GPT-4o) models. Finally, we present a case study on the implications for safety finetuning, showing that unintended syntactic-domain correlations can be used to bypass refusals in OLMo-2-7B Instruct and GPT-4o. Our findings highlight two needs: (1) to explicitly test for syntactic-domain correlations, and (2) to ensure syntactic diversity in training data, specifically within domains, to prevent such spurious correlations.

  • 5 authors
·
Sep 25, 2025

SCOUT: Semantic Concept Discovery for Open-Vocabulary Editing of face Recognition Templates

Face recognition templates are compact identity representations, yet they also encode rich semantic information about facial appearance. Prior work has shown that templates can be inverted to images or indirectly manipulated through image-editing pipelines, but direct semantic editing in template space remains largely unexplored. Existing interpretability methods for face recognition often rely on manual neuron inspection or predefined attribute labels, limiting scalability and semantic flexibility. To address this gap, we propose SCOUT (Semantic Concept Discovery for Open-VocabUlary Editing of Face Recognition Templates), an end-to-end framework for discovering and directly manipulating semantic concepts in face recognition templates using mechanistic interpretability. SCOUT learns sparse template representations, generates semantic hypotheses for latent features from natural-language descriptions, and validates their stability. The resulting features act as controllable semantic directions for direct editing, avoiding costly edit--re-encode pipelines. Experiments with face recognition models using CNN, ViT, and Swin backbones show that SCOUT discovers interpretable concepts beyond standard attribute labels and enables controllable, identity-aware template manipulation with negligible impact on identity matching. We further show that edited templates can subsequently be decoded with independent inversion models for visualization and evaluation.

  • 5 authors
·
Aug 16

Template-Driven LLM-Paraphrased Framework for Tabular Math Word Problem Generation

Solving tabular math word problems (TMWPs) has become a critical role in evaluating the mathematical reasoning ability of large language models (LLMs), where large-scale TMWP samples are commonly required for LLM fine-tuning. Since the collection of high-quality TMWP datasets is costly and time-consuming, recent research has concentrated on automatic TMWP generation. However, current generated samples usually suffer from issues of either correctness or diversity. In this paper, we propose a Template-driven LLM-paraphrased (TeLL) framework for generating high-quality TMWP samples with diverse backgrounds and accurate tables, questions, answers, and solutions. To this end, we first extract templates from existing real samples to generate initial problems, ensuring correctness. Then, we adopt an LLM to extend templates and paraphrase problems, obtaining diverse TMWP samples. Furthermore, we find the reasoning annotation is important for solving TMWPs. Therefore, we propose to enrich each solution with illustrative reasoning steps. Through the proposed framework, we construct a high-quality dataset TabMWP-TeLL by adhering to the question types in the TabMWP dataset, and we conduct extensive experiments on a variety of LLMs to demonstrate the effectiveness of TabMWP-TeLL in improving TMWP solving performance. The code and data of this paper are available at: https://github.com/Jason8Kang/TELL.

  • 6 authors
·
Dec 20, 2024

PAID: A Framework of Product-Centric Advertising Image Design

Creating visually appealing advertising images is often a labor-intensive and time-consuming process. Is it possible to automatically generate such images using only basic product information--specifically, a product foreground image, taglines, and a target size? Existing methods mainly focus on parts of the problem and fail to provide a comprehensive solution. To address this gap, we propose a novel multistage framework called Product-Centric Advertising Image Design (PAID). It consists of four sequential stages to highlight product foregrounds and taglines while achieving overall image aesthetics: prompt generation, layout generation, background image generation, and graphics rendering. Different expert models are designed and trained for the first three stages: First, we use a visual language model (VLM) to generate background prompts that match the products. Next, a VLM-based layout generation model arranges the placement of product foregrounds, graphic elements (taglines and decorative underlays), and various nongraphic elements (objects from the background prompt). Following this, we train an SDXL-based image generation model that can simultaneously accept prompts, layouts, and foreground controls. To support the PAID framework, we create corresponding datasets with over 50,000 labeled images. Extensive experimental results and online A/B tests demonstrate that PAID can produce more visually appealing advertising images.

  • 8 authors
·
Jan 24, 2025

Regression Transformer: Concurrent sequence regression and generation for molecular language modeling

Despite significant progress of generative models in the natural sciences, their controllability remains challenging. One fundamentally missing aspect of molecular or protein generative models is an inductive bias that can reflect continuous properties of interest. To that end, we propose the Regression Transformer (RT), a novel method that abstracts regression as a conditional sequence modeling problem. This introduces a new paradigm of multitask language models which seamlessly bridge sequence regression and conditional sequence generation. We thoroughly demonstrate that, despite using a nominal-scale training objective, the RT matches or surpasses the performance of conventional regression models in property prediction tasks of small molecules, proteins and chemical reactions. Critically, priming the same model with continuous properties yields a highly competitive conditional generative model that outperforms specialized approaches in a substructure-constrained, property-driven molecule generation benchmark. Our dichotomous approach is facilitated by a novel, alternating training scheme that enables the model to decorate seed sequences by desired properties, e.g., to optimize reaction yield. In sum, the RT is the first report of a multitask model that concurrently excels at predictive and generative tasks in biochemistry. This finds particular application in property-driven, local exploration of the chemical or protein space and could pave the road toward foundation models in material design. The code to reproduce all experiments of the paper is available at: https://github.com/IBM/regression-transformer

  • 2 authors
·
Feb 1, 2022

SceneCode: Executable World Programs for Editable Indoor Scenes with Articulated Objects

Indoor scene synthesis underpins embodied AI, robotic manipulation, and simulation-based policy evaluation, where a useful scene must specify not only what the environment looks like, but also how its objects are structured. Existing pipelines, however, typically represent generated content as static meshes and inherit articulation only from curated asset libraries, which limits object-level controllability and prevents new interactable assets from being produced on demand. We address this gap by formulating physically interactable indoor scene synthesis as programmatic world generation, and present SceneCode, a framework that compiles a natural language prompt into an executable, code-driven indoor world rather than a collection of opaque meshes. A room-level agentic backbone first turns the prompt into a structured house layout and emits per-object AssetRequests through a planner--designer--critic loop. Each request is then routed to one of five code-generation strategies and converted into a synthesized part-wise Blender Python programs that are validated through an execution-guided repair-and-refine loop. The resulting programs are compiled into simulation-ready assets, and exported as SDF for physics simulation. A persistent scene-state registry links object requests, executable programs, rendered geometry, and simulation assets, turning scene assembly into a traceable and locally editable world-building process. We evaluate SceneCode across scene-level synthesis, object-level asset quality, human judgment, and downstream robot interaction. Results show that executable world programs improve prompt-faithful indoor scene generation and produce assets with cleaner mesh structure, and simulator-loadable articulation metadata. Project page: https://scene-code.github.io/.

  • 7 authors
·
May 18

Smaller But Better: Unifying Layout Generation with Smaller Large Language Models

We propose LGGPT, an LLM-based model tailored for unified layout generation. First, we propose Arbitrary Layout Instruction (ALI) and Universal Layout Response (ULR) as the uniform I/O template. ALI accommodates arbitrary layout generation task inputs across multiple layout domains, enabling LGGPT to unify both task-generic and domain-generic layout generation hitherto unexplored. Collectively, ALI and ULR boast a succinct structure that forgoes superfluous tokens typically found in existing HTML-based formats, facilitating efficient instruction tuning and boosting unified generation performance. In addition, we propose an Interval Quantization Encoding (IQE) strategy that compresses ALI into a more condensed structure. IQE precisely preserves valid layout clues while eliminating the less informative placeholders, facilitating LGGPT to capture complex and variable layout generation conditions during the unified training process. Experimental results demonstrate that LGGPT achieves superior or on par performance compared to existing methods. Notably, LGGPT strikes a prominent balance between proficiency and efficiency with a compact 1.5B parameter LLM, which beats prior 7B or 175B models even in the most extensive and challenging unified scenario. Furthermore, we underscore the necessity of employing LLMs for unified layout generation and suggest that 1.5B could be an optimal parameter size by comparing LLMs of varying scales. Code is available at https://github.com/NiceRingNode/LGGPT.

  • 5 authors
·
Feb 19, 2025

Advancing vision-language models in front-end development via data synthesis

Modern front-end (FE) development, especially when leveraging the unique features of frameworks like React and Vue, presents distinctive challenges. These include managing modular architectures, ensuring synchronization between data and visual outputs for declarative rendering, and adapting reusable components to various scenarios. Such complexities make it particularly difficult for state-of-the-art large vision-language models (VLMs) to generate accurate and functional code directly from design images. To address these challenges, we propose a reflective agentic workflow that synthesizes high-quality image-text data to capture the diverse characteristics of FE development. This workflow automates the extraction of self-containedA \textbf{self-contained code snippet is one that encapsulates all necessary logic, styling, and dependencies, ensuring it functions independently without requiring external imports or context.} code snippets from real-world projects, renders the corresponding visual outputs, and generates detailed descriptions that link design elements to functional code. To further expand the scope and utility of the synthesis, we introduce three data synthesis strategies: Evolution-based synthesis, which enables scalable and diverse dataset expansion; Waterfall-Model-based synthesis, which generates logically coherent code derived from system requirements; and Additive Development synthesis, which iteratively increases the complexity of human-authored components. We build a large vision-language model, Flame, trained on the synthesized datasets and demonstrate its effectiveness in generating React code via the pass@k metric. Our results suggest that a code VLM trained to interpret images before code generation may achieve better performance.

  • 5 authors
·
Mar 3, 2025

CrystalReasoner: Reasoning and RL for Property-Conditioned Crystal Structure Generation

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

  • 4 authors
·
May 13

CoderEval: A Benchmark of Pragmatic Code Generation with Generative Pre-trained Models

Code generation models based on the pre-training and fine-tuning paradigm have been increasingly attempted by both academia and industry, resulting in well-known industrial models such as Codex, CodeGen, and PanGu-Coder. To evaluate the effectiveness of these models, multiple existing benchmarks are proposed, including only cases of generating a standalone function, i.e., a function that may invoke or access only built-in functions and standard libraries. However, non-standalone functions, which typically are not included in the existing benchmarks, constitute more than 70% of the functions in popular open-source projects, and evaluating models' effectiveness on standalone functions cannot reflect these models' effectiveness on pragmatic code generation scenarios. To help bridge the preceding gap, in this paper, we propose a benchmark named CoderEval, consisting of 230 Python and 230 Java code generation tasks carefully curated from popular real-world open-source projects and a self-contained execution platform to automatically assess the functional correctness of generated code. CoderEval supports code generation tasks from six levels of context dependency, where context refers to code elements such as types, APIs, variables, and consts defined outside the function under generation but within the dependent third-party libraries, current class, file, or project. CoderEval can be used to evaluate the effectiveness of models in generating code beyond only standalone functions. By evaluating three code generation models on CoderEval, we find that the effectiveness of these models in generating standalone functions is substantially higher than that in generating non-standalone functions. Our analysis highlights the current progress and pinpoints future directions to further improve a model's effectiveness by leveraging contextual information for pragmatic code generation.

  • 10 authors
·
Feb 1, 2023

PosterLLaVa: Constructing a Unified Multi-modal Layout Generator with LLM

Layout generation is the keystone in achieving automated graphic design, requiring arranging the position and size of various multi-modal design elements in a visually pleasing and constraint-following manner. Previous approaches are either inefficient for large-scale applications or lack flexibility for varying design requirements. Our research introduces a unified framework for automated graphic layout generation, leveraging the multi-modal large language model (MLLM) to accommodate diverse design tasks. In contrast, our data-driven method employs structured text (JSON format) and visual instruction tuning to generate layouts under specific visual and textual constraints, including user-defined natural language specifications. We conducted extensive experiments and achieved state-of-the-art (SOTA) performance on public multi-modal layout generation benchmarks, demonstrating the effectiveness of our method. Moreover, recognizing existing datasets' limitations in capturing the complexity of real-world graphic designs, we propose two new datasets for much more challenging tasks (user-constrained generation and complicated poster), further validating our model's utility in real-life settings. Marking by its superior accessibility and adaptability, this approach further automates large-scale graphic design tasks. The code and datasets will be publicly available on https://github.com/posterllava/PosterLLaVA.

  • 6 authors
·
Jun 4, 2024 2

CANVAS: A Benchmark for Vision-Language Models on Tool-Based User Interface Design

User interface (UI) design is an iterative process in which designers progressively refine their work with design software such as Figma or Sketch. Recent advances in vision language models (VLMs) with tool invocation suggest these models can operate design software to edit a UI design through iteration. Understanding and enhancing this capacity is important, as it highlights VLMs' potential to collaborate with designers within conventional software. However, as no existing benchmark evaluates tool-based design performance, the capacity remains unknown. To address this, we introduce CANVAS, a benchmark for VLMs on tool-based user interface design. Our benchmark contains 598 tool-based design tasks paired with ground-truth references sampled from 3.3K mobile UI designs across 30 function-based categories (e.g., onboarding, messaging). In each task, a VLM updates the design step-by-step through context-based tool invocations (e.g., create a rectangle as a button background), linked to design software. Specifically, CANVAS incorporates two task types: (i) design replication evaluates the ability to reproduce a whole UI screen; (ii) design modification evaluates the ability to modify a specific part of an existing screen. Results suggest that leading models exhibit more strategic tool invocations, improving design quality. Furthermore, we identify common error patterns models exhibit, guiding future work in enhancing tool-based design capabilities.

  • 5 authors
·
Nov 25, 2025

MLLM-Based UI2Code Automation Guided by UI Layout Information

Converting user interfaces into code (UI2Code) is a crucial step in website development, which is time-consuming and labor-intensive. The automation of UI2Code is essential to streamline this task, beneficial for improving the development efficiency. There exist deep learning-based methods for the task; however, they heavily rely on a large amount of labeled training data and struggle with generalizing to real-world, unseen web page designs. The advent of Multimodal Large Language Models (MLLMs) presents potential for alleviating the issue, but they are difficult to comprehend the complex layouts in UIs and generate the accurate code with layout preserved. To address these issues, we propose LayoutCoder, a novel MLLM-based framework generating UI code from real-world webpage images, which includes three key modules: (1) Element Relation Construction, which aims at capturing UI layout by identifying and grouping components with similar structures; (2) UI Layout Parsing, which aims at generating UI layout trees for guiding the subsequent code generation process; and (3) Layout-Guided Code Fusion, which aims at producing the accurate code with layout preserved. For evaluation, we build a new benchmark dataset which involves 350 real-world websites named Snap2Code, divided into seen and unseen parts for mitigating the data leakage issue, besides the popular dataset Design2Code. Extensive evaluation shows the superior performance of LayoutCoder over the state-of-the-art approaches. Compared with the best-performing baseline, LayoutCoder improves 10.14% in the BLEU score and 3.95% in the CLIP score on average across all datasets.

  • 5 authors
·
Jun 12, 2025

DStruct2Design: Data and Benchmarks for Data Structure Driven Generative Floor Plan Design

Text conditioned generative models for images have yielded impressive results. Text conditioned floorplan generation as a special type of raster image generation task also received particular attention. However there are many use cases in floorpla generation where numerical properties of the generated result are more important than the aesthetics. For instance, one might want to specify sizes for certain rooms in a floorplan and compare the generated floorplan with given specifications Current approaches, datasets and commonly used evaluations do not support these kinds of constraints. As such, an attractive strategy is to generate an intermediate data structure that contains numerical properties of a floorplan which can be used to generate the final floorplan image. To explore this setting we (1) construct a new dataset for this data-structure to data-structure formulation of floorplan generation using two popular image based floorplan datasets RPLAN and ProcTHOR-10k, and provide the tools to convert further procedurally generated ProcTHOR floorplan data into our format. (2) We explore the task of floorplan generation given a partial or complete set of constraints and we design a series of metrics and benchmarks to enable evaluating how well samples generated from models respect the constraints. (3) We create multiple baselines by finetuning a large language model (LLM), Llama3, and demonstrate the feasibility of using floorplan data structure conditioned LLMs for the problem of floorplan generation respecting numerical constraints. We hope that our new datasets and benchmarks will encourage further research on different ways to improve the performance of LLMs and other generative modelling techniques for generating designs where quantitative constraints are only partially specified, but must be respected.

  • 6 authors
·
Jul 21, 2024

Learning Type Inference for Enhanced Dataflow Analysis

Statically analyzing dynamically-typed code is a challenging endeavor, as even seemingly trivial tasks such as determining the targets of procedure calls are non-trivial without knowing the types of objects at compile time. Addressing this challenge, gradual typing is increasingly added to dynamically-typed languages, a prominent example being TypeScript that introduces static typing to JavaScript. Gradual typing improves the developer's ability to verify program behavior, contributing to robust, secure and debuggable programs. In practice, however, users only sparsely annotate types directly. At the same time, conventional type inference faces performance-related challenges as program size grows. Statistical techniques based on machine learning offer faster inference, but although recent approaches demonstrate overall improved accuracy, they still perform significantly worse on user-defined types than on the most common built-in types. Limiting their real-world usefulness even more, they rarely integrate with user-facing applications. We propose CodeTIDAL5, a Transformer-based model trained to reliably predict type annotations. For effective result retrieval and re-integration, we extract usage slices from a program's code property graph. Comparing our approach against recent neural type inference systems, our model outperforms the current state-of-the-art by 7.85% on the ManyTypes4TypeScript benchmark, achieving 71.27% accuracy overall. Furthermore, we present JoernTI, an integration of our approach into Joern, an open source static analysis tool, and demonstrate that the analysis benefits from the additional type information. As our model allows for fast inference times even on commodity CPUs, making our system available through Joern leads to high accessibility and facilitates security research.

  • 6 authors
·
Oct 1, 2023 1

LaTCoder: Converting Webpage Design to Code with Layout-as-Thought

Converting webpage designs into code (design-to-code) plays a vital role in User Interface (UI) development for front-end developers, bridging the gap between visual design and functional implementation. While recent Multimodal Large Language Models (MLLMs) have shown significant potential in design-to-code tasks, they often fail to accurately preserve the layout during code generation. To this end, we draw inspiration from the Chain-of-Thought (CoT) reasoning in human cognition and propose LaTCoder, a novel approach that enhances layout preservation in webpage design during code generation with Layout-as-Thought (LaT). Specifically, we first introduce a simple yet efficient algorithm to divide the webpage design into image blocks. Next, we prompt MLLMs using a CoTbased approach to generate code for each block. Finally, we apply two assembly strategies-absolute positioning and an MLLM-based method-followed by dynamic selection to determine the optimal output. We evaluate the effectiveness of LaTCoder using multiple backbone MLLMs (i.e., DeepSeek-VL2, Gemini, and GPT-4o) on both a public benchmark and a newly introduced, more challenging benchmark (CC-HARD) that features complex layouts. The experimental results on automatic metrics demonstrate significant improvements. Specifically, TreeBLEU scores increased by 66.67% and MAE decreased by 38% when using DeepSeek-VL2, compared to direct prompting. Moreover, the human preference evaluation results indicate that annotators favor the webpages generated by LaTCoder in over 60% of cases, providing strong evidence of the effectiveness of our method.

  • 13 authors
·
Aug 5, 2025 2

VISION2UI: A Real-World Dataset with Layout for Code Generation from UI Designs

Automatically generating UI code from webpage design visions can significantly alleviate the burden of developers, enabling beginner developers or designers to directly generate Web pages from design diagrams. Currently, prior research has accomplished the objective of generating UI code from rudimentary design visions or sketches through designing deep neural networks. Inspired by the groundbreaking advancements achieved by Multimodal Large Language Models (MLLMs), the automatic generation of UI code from high-fidelity design images is now emerging as a viable possibility. Nevertheless, our investigation reveals that existing MLLMs are hampered by the scarcity of authentic, high-quality, and large-scale datasets, leading to unsatisfactory performance in automated UI code generation. To mitigate this gap, we present a novel dataset, termed VISION2UI, extracted from real-world scenarios, augmented with comprehensive layout information, tailored specifically for finetuning MLLMs in UI code generation. Specifically, this dataset is derived through a series of operations, encompassing collecting, cleaning, and filtering of the open-source Common Crawl dataset. In order to uphold its quality, a neural scorer trained on labeled samples is utilized to refine the data, retaining higher-quality instances. Ultimately, this process yields a dataset comprising 2,000 (Much more is coming soon) parallel samples encompassing design visions and UI code. The dataset is available at https://huggingface.co/datasets/xcodemind/vision2ui.

  • 9 authors
·
Apr 9, 2024

AutoGUI: Scaling GUI Grounding with Automatic Functionality Annotations from LLMs

User interface understanding with vision-language models has received much attention due to its potential for enabling next-generation software automation. However, existing UI datasets either only provide large-scale context-free element annotations or contextualized functional descriptions for elements at a much smaller scale. In this work, we propose the pipeline for automatically annotating UI elements with detailed functionality descriptions at scale. Specifically, we leverage large language models (LLMs) to infer element functionality by comparing the UI content changes before and after simulated interactions with specific UI elements. To improve annotation quality, we propose LLM-aided rejection and verification, eliminating invalid and incorrect annotations without human labor. We construct an -704k dataset using the proposed pipeline, featuring multi-resolution, multi-device screenshots, diverse data domains, and detailed functionality annotations that have never been provided by previous datasets. Human evaluation shows that the AutoGUI pipeline achieves annotation correctness comparable to trained human annotators. Extensive experimental results show that our -704k dataset remarkably enhances VLM's UI grounding capabilities, exhibits significant scaling effects, and outperforms existing web pre-training data types. We envision AutoGUI as a scalable pipeline for generating massive data to build GUI-oriented VLMs. AutoGUI dataset can be viewed at this anonymous URL: https://autogui-project.github.io/.

  • 6 authors
·
Feb 3, 2025

OntoKG: Ontology-Oriented Knowledge Graph Construction with Intrinsic-Relational Routing

Organizing a large-scale knowledge graph into a typed property graph requires structural decisions -- which entities become nodes, which properties become edges, and what schema governs these choices. Existing approaches embed these decisions in pipeline code or extract relations ad hoc, producing schemas that are tightly coupled to their construction process and difficult to reuse for downstream ontology-level tasks. We present an ontology-oriented approach in which the schema is designed from the outset for ontology analysis, entity disambiguation, domain customization, and LLM-guided extraction -- not merely as a byproduct of graph building. The core mechanism is intrinsic-relational routing, which classifies every property as either intrinsic or relational and routes it to the corresponding schema module. This routing produces a declarative schema that is portable across storage backends and independently reusable. We instantiate the approach on the January 2026 Wikidata dump. A rule-based cleaning stage identifies a 34.6M-entity core set from the full dump, followed by iterative intrinsic-relational routing that assigns each property to one of 94 modules organized into 8 categories. With tool-augmented LLM support and human review, the schema reaches 93.3% category coverage and 98.0% module assignment among classified entities. Exporting this schema yields a property graph with 34.0M nodes and 61.2M edges across 38 relationship types. We validate the ontology-oriented claim through five applications that consume the schema independently of the construction pipeline: ontology structure analysis, benchmark annotation auditing, entity disambiguation, domain customization, and LLM-guided extraction.

  • 4 authors
·
Apr 2

Using LLMs for the Extraction and Normalization of Product Attribute Values

Product offers on e-commerce websites often consist of a product title and a textual product description. In order to enable features such as faceted product search or to generate product comparison tables, it is necessary to extract structured attribute-value pairs from the unstructured product titles and descriptions and to normalize the extracted values to a single, unified scale for each attribute. This paper explores the potential of using large language models (LLMs), such as GPT-3.5 and GPT-4, to extract and normalize attribute values from product titles and descriptions. We experiment with different zero-shot and few-shot prompt templates for instructing LLMs to extract and normalize attribute-value pairs. We introduce the Web Data Commons - Product Attribute Value Extraction (WDC-PAVE) benchmark dataset for our experiments. WDC-PAVE consists of product offers from 59 different websites which provide schema.org annotations. The offers belong to five different product categories, each with a specific set of attributes. The dataset provides manually verified attribute-value pairs in two forms: (i) directly extracted values and (ii) normalized attribute values. The normalization of the attribute values requires systems to perform the following types of operations: name expansion, generalization, unit of measurement conversion, and string wrangling. Our experiments demonstrate that GPT-4 outperforms the PLM-based extraction methods SU-OpenTag, AVEQA, and MAVEQA by 10%, achieving an F1-score of 91%. For the extraction and normalization of product attribute values, GPT-4 achieves a similar performance to the extraction scenario, while being particularly strong at string wrangling and name expansion.

  • 3 authors
·
Mar 4, 2024

Programmable-Room: Interactive Textured 3D Room Meshes Generation Empowered by Large Language Models

We present Programmable-Room, a framework which interactively generates and edits a 3D room mesh, given natural language instructions. For precise control of a room's each attribute, we decompose the challenging task into simpler steps such as creating plausible 3D coordinates for room meshes, generating panorama images for the texture, constructing 3D meshes by integrating the coordinates and panorama texture images, and arranging furniture. To support the various decomposed tasks with a unified framework, we incorporate visual programming (VP). VP is a method that utilizes a large language model (LLM) to write a Python-like program which is an ordered list of necessary modules for the various tasks given in natural language. We develop most of the modules. Especially, for the texture generating module, we utilize a pretrained large-scale diffusion model to generate panorama images conditioned on text and visual prompts (i.e., layout, depth, and semantic map) simultaneously. Specifically, we enhance the panorama image generation quality by optimizing the training objective with a 1D representation of a panorama scene obtained from bidirectional LSTM. We demonstrate Programmable-Room's flexibility in generating and editing 3D room meshes, and prove our framework's superiority to an existing model quantitatively and qualitatively. Project page is available in https://jihyun0510.github.io/Programmable_Room_Page/.

  • 4 authors
·
Jun 21, 2025

RoofNet: A Global Multimodal Dataset for Roof Material Classification

Natural disasters are increasing in frequency and severity, causing hundreds of billions of dollars in damage annually and posing growing threats to infrastructure and human livelihoods. Accurate data on roofing materials is critical for modeling building vulnerability to natural hazards such as earthquakes, floods, wildfires, and hurricanes, yet such data remain unavailable. To address this gap, we introduce RoofNet, the largest and most geographically diverse novel multimodal dataset to date, comprising over 51,500 samples from 184 geographically diverse sites pairing high-resolution Earth Observation (EO) imagery with curated text annotations for global roof material classification. RoofNet includes geographically diverse satellite imagery labeled with 14 key roofing types -- such as asphalt shingles, clay tiles, and metal sheets -- and is designed to enhance the fidelity of global exposure datasets through vision-language modeling (VLM). We sample EO tiles from climatically and architecturally distinct regions to construct a representative dataset. A subset of 6,000 images was annotated in collaboration with domain experts to fine-tune a VLM. We used geographic- and material-aware prompt tuning to enhance class separability. The fine-tuned model was then applied to the remaining EO tiles, with predictions refined through rule-based and human-in-the-loop verification. In addition to material labels, RoofNet provides rich metadata including roof shape, footprint area, solar panel presence, and indicators of mixed roofing materials (e.g., HVAC systems). RoofNet supports scalable, AI-driven risk assessment and serves as a downstream benchmark for evaluating model generalization across regions -- offering actionable insights for insurance underwriting, disaster preparedness, and infrastructure policy planning.

  • 2 authors
·
May 25, 2025

START: Spatial and Textual Learning for Chart Understanding

Chart understanding is crucial for deploying multimodal large language models (MLLMs) in real-world scenarios such as analyzing scientific papers and technical reports. Unlike natural images, charts pair a structured visual layout (spatial property) with an underlying data representation (textual property) -- grasping both is essential for precise, fine-grained chart reasoning. Motivated by this observation, we propose START, the Spatial and Textual learning for chART understanding. Specifically, we introduce (i) chart-element grounding and (ii) chart-to-code generation to strengthen an MLLM's understanding of both chart visual layout and data details. To facilitate spatial and textual learning, we propose the START-Dataset generated with a novel data-generation pipeline that first leverages an MLLM to translate real chart images into executable chart code, recovering the underlying data representation while preserving the visual distribution of real-world charts. We then evolve the code with a Large Language Model (LLM) to ascertain the positions of chart elements that capture the chart's visual structure, addressing challenges that existing methods cannot handle. To evaluate a model's ability to understand chart spatial structures, we propose the Chart Spatial understanding Benchmark (CS-Bench), filling a critical gap in comprehensive chart understanding evaluation. Leveraging spatial and textual learning, START delivers consistent gains across model sizes and benchmarks over the base models and surpasses prior state-of-the-art by a clear margin. Code, data and models will be publicly available.

amazon-agi Amazon AGI
·
Dec 8, 2025 2

Benchmarking pre-trained text embedding models in aligning built asset information

Accurate mapping of the built asset information to established data classification systems and taxonomies is crucial for effective asset management, whether for compliance at project handover or ad-hoc data integration scenarios. Due to the complex nature of built asset data, which predominantly comprises technical text elements, this process remains largely manual and reliant on domain expert input. Recent breakthroughs in contextual text representation learning (text embedding), particularly through pre-trained large language models, offer promising approaches that can facilitate the automation of cross-mapping of the built asset data. However, no comprehensive evaluation has yet been conducted to assess these models' ability to effectively represent the complex semantics specific to built asset technical terminology. This study presents a comparative benchmark of state-of-the-art text embedding models to evaluate their effectiveness in aligning built asset information with domain-specific technical concepts. Our proposed datasets are derived from two renowned built asset data classification dictionaries. The results of our benchmarking across six proposed datasets, covering three tasks of clustering, retrieval, and reranking, highlight the need for future research on domain adaptation techniques. The benchmarking resources are published as an open-source library, which will be maintained and extended to support future evaluations in this field.

  • 2 authors
·
Nov 18, 2024

MatterGen: a generative model for inorganic materials design

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly generating entirely novel materials given desired property constraints. Despite recent progress, current generative models have low success rate in proposing stable crystals, or can only satisfy a very limited set of property constraints. Here, we present MatterGen, a model that generates stable, diverse inorganic materials across the periodic table and can further be fine-tuned to steer the generation towards a broad range of property constraints. To enable this, we introduce a new diffusion-based generative process that produces crystalline structures by gradually refining atom types, coordinates, and the periodic lattice. We further introduce adapter modules to enable fine-tuning towards any given property constraints with a labeled dataset. Compared to prior generative models, structures produced by MatterGen are more than twice as likely to be novel and stable, and more than 15 times closer to the local energy minimum. After fine-tuning, MatterGen successfully generates stable, novel materials with desired chemistry, symmetry, as well as mechanical, electronic and magnetic properties. Finally, we demonstrate multi-property materials design capabilities by proposing structures that have both high magnetic density and a chemical composition with low supply-chain risk. We believe that the quality of generated materials and the breadth of MatterGen's capabilities represent a major advancement towards creating a universal generative model for materials design.

  • 21 authors
·
Dec 6, 2023

WebDesignIter: Co-Evolving Design Knowledge for Repository-Level Front-End Code Generation

Front-end development accumulates change after change at the repository level, weaving complex cross-file dependencies that current LLM coding agents tuned for single-shot tasks cannot reliably track across multiple iterations, leading to functional regressions and code that resists maintenance. We argue the missing piece is design knowledge: architectural principles, module responsibilities, and structural constraints that developers lean on to keep code readable, maintainable, and evolvable as a system scales. To operationalize this, we propose WebDesignIter, a framework built around a persistent knowledge graph (WebAppArchKG) that fuses repository structure with design knowledge and keeps both in sync across development cycles. WebDesignIter works in two stages: design-informed planning pulls historical context and architectural overviews from WebAppArchKG to produce an implementation plan with corresponding test scripts, and design-aware generation executes that plan through targeted diff-based patches, validated by sandbox execution and automatic syntax repair. On Web-Bench, WebDesignIter delivers an average Pass@2 gain of 9.55 percentage points across nine foundation models over existing baselines. More importantly, WebDesignIter outperforms every general-purpose coding agent Claude Code, OpenHands, SWE-Agent, Codex CLI on every model configuration, posting the highest Pass@1 and Pass@2 while consuming 2530 fewer input tokens. Ablation singles out design knowledge as the most impactful component: stripping it drops Pass@1 by 11.40 percentage points, a degradation far larger than removing code-graph retrieval, patch-based generation, or sandbox verification, confirming that design knowledge provides a fundamentally more efficient and reliable path to repository-level code generation.

  • 5 authors
·
Jul 11

From Static Templates to Dynamic Runtime Graphs: A Survey of Workflow Optimization for LLM Agents

Large language model (LLM)-based systems are becoming increasingly popular for solving tasks by constructing executable workflows that interleave LLM calls, information retrieval, tool use, code execution, memory updates, and verification. This survey reviews recent methods for designing and optimizing such workflows, which we treat as agentic computation graphs (ACGs). We organize the literature based on when workflow structure is determined, where structure refers to which components or agents are present, how they depend on each other, and how information flows between them. This lens distinguishes static methods, which fix a reusable workflow scaffold before deployment, from dynamic methods, which select, generate, or revise the workflow for a particular run before or during execution. We further organize prior work along three dimensions: when structure is determined, what part of the workflow is optimized, and which evaluation signals guide optimization (e.g., task metrics, verifier signals, preferences, or trace-derived feedback). We also distinguish reusable workflow templates, run-specific realized graphs, and execution traces, separating reusable design choices from the structures actually deployed in a given run and from realized runtime behavior. Finally, we outline a structure-aware evaluation perspective that complements downstream task metrics with graph-level properties, execution cost, robustness, and structural variation across inputs. Our goal is to provide a clear vocabulary, a unified framework for positioning new methods, a more comparable view of existing body of literature, and a more reproducible evaluation standard for future work in workflow optimizations for LLM agents.

ibm IBM
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Mar 23 2

A Comparative Study of DSL Code Generation: Fine-Tuning vs. Optimized Retrieval Augmentation

Natural Language to Code Generation has made significant progress in recent years with the advent of Large Language Models(LLMs). While generation for general-purpose languages like C, C++, and Python has improved significantly, LLMs struggle with custom function names in Domain Specific Languages or DSLs. This leads to higher hallucination rates and syntax errors, specially for DSLs having a high number of custom function names. Additionally, constant updates to function names add to the challenge as LLMs need to stay up-to-date. In this paper, we present optimizations for using Retrieval Augmented Generation (or RAG) with LLMs for DSL generation along with an ablation study comparing these strategies. We generated a train as well as test dataset with a DSL to represent automation tasks across roughly 700 APIs in public domain. We used the training dataset to fine-tune a Codex model for this DSL. Our results showed that the fine-tuned model scored the best on code similarity metric. With our RAG optimizations, we achieved parity for similarity metric. The compilation rate, however, showed that both the models still got the syntax wrong many times, with RAG-based method being 2 pts better. Conversely, hallucination rate for RAG model lagged by 1 pt for API names and by 2 pts for API parameter keys. We conclude that an optimized RAG model can match the quality of fine-tuned models and offer advantages for new, unseen APIs.

  • 2 authors
·
Jul 2, 2024

Benchmarking and Improving Text-to-SQL Generation under Ambiguity

Research in Text-to-SQL conversion has been largely benchmarked against datasets where each text query corresponds to one correct SQL. However, natural language queries over real-life databases frequently involve significant ambiguity about the intended SQL due to overlapping schema names and multiple confusing relationship paths. To bridge this gap, we develop a novel benchmark called AmbiQT with over 3000 examples where each text is interpretable as two plausible SQLs due to lexical and/or structural ambiguity. When faced with ambiguity, an ideal top-k decoder should generate all valid interpretations for possible disambiguation by the user. We evaluate several Text-to-SQL systems and decoding algorithms, including those employing state-of-the-art LLMs, and find them to be far from this ideal. The primary reason is that the prevalent beam search algorithm and its variants, treat SQL queries as a string and produce unhelpful token-level diversity in the top-k. We propose LogicalBeam, a new decoding algorithm that navigates the SQL logic space using a blend of plan-based template generation and constrained infilling. Counterfactually generated plans diversify templates while in-filling with a beam-search that branches solely on schema names provides value diversity. LogicalBeam is up to 2.5 times more effective than state-of-the-art models at generating all candidate SQLs in the top-k ranked outputs. It also enhances the top-5 Exact and Execution Match Accuracies on SPIDER and Kaggle DBQA.

  • 4 authors
·
Oct 20, 2023

DesignPref: Capturing Personal Preferences in Visual Design Generation

Generative models, such as large language models and text-to-image diffusion models, are increasingly used to create visual designs like user interfaces (UIs) and presentation slides. Finetuning and benchmarking these generative models have often relied on datasets of human-annotated design preferences. Yet, due to the subjective and highly personalized nature of visual design, preference varies widely among individuals. In this paper, we study this problem by introducing DesignPref, a dataset of 12k pairwise comparisons of UI design generation annotated by 20 professional designers with multi-level preference ratings. We found that among trained designers, substantial levels of disagreement exist (Krippendorff's alpha = 0.25 for binary preferences). Natural language rationales provided by these designers indicate that disagreements stem from differing perceptions of various design aspect importance and individual preferences. With DesignPref, we demonstrate that traditional majority-voting methods for training aggregated judge models often do not accurately reflect individual preferences. To address this challenge, we investigate multiple personalization strategies, particularly fine-tuning or incorporating designer-specific annotations into RAG pipelines. Our results show that personalized models consistently outperform aggregated baseline models in predicting individual designers' preferences, even when using 20 times fewer examples. Our work provides the first dataset to study personalized visual design evaluation and support future research into modeling individual design taste.

  • 3 authors
·
Nov 25, 2025

Build-A-Scene: Interactive 3D Layout Control for Diffusion-Based Image Generation

We propose a diffusion-based approach for Text-to-Image (T2I) generation with interactive 3D layout control. Layout control has been widely studied to alleviate the shortcomings of T2I diffusion models in understanding objects' placement and relationships from text descriptions. Nevertheless, existing approaches for layout control are limited to 2D layouts, require the user to provide a static layout beforehand, and fail to preserve generated images under layout changes. This makes these approaches unsuitable for applications that require 3D object-wise control and iterative refinements, e.g., interior design and complex scene generation. To this end, we leverage the recent advancements in depth-conditioned T2I models and propose a novel approach for interactive 3D layout control. We replace the traditional 2D boxes used in layout control with 3D boxes. Furthermore, we revamp the T2I task as a multi-stage generation process, where at each stage, the user can insert, change, and move an object in 3D while preserving objects from earlier stages. We achieve this through our proposed Dynamic Self-Attention (DSA) module and the consistent 3D object translation strategy. Experiments show that our approach can generate complicated scenes based on 3D layouts, boosting the object generation success rate over the standard depth-conditioned T2I methods by 2x. Moreover, it outperforms other methods in comparison in preserving objects under layout changes. Project Page: https://abdo-eldesokey.github.io/build-a-scene/

  • 2 authors
·
Aug 27, 2024 4

Struct-Bench: A Benchmark for Differentially Private Structured Text Generation

Differentially private (DP) synthetic data generation is a promising technique for utilizing private datasets that otherwise cannot be exposed for model training or other analytics. While much research literature has focused on generating private unstructured text and image data, in enterprise settings, structured data (e.g., tabular) is more common, often including natural language fields or components. Existing synthetic data evaluation techniques (e.g., FID) struggle to capture the structural properties and correlations of such datasets. In this work, we propose Struct-Bench, a framework and benchmark for evaluating synthetic datasets derived from structured datasets that contain natural language data. The Struct-Bench framework requires users to provide a representation of their dataset structure as a Context-Free Grammar (CFG). Our benchmark comprises 5 real-world and 2 synthetically generated datasets, each annotated with CFGs. We show that these datasets demonstrably present a great challenge even for state-of-the-art DP synthetic data generation methods. Struct-Bench also includes reference implementations of different metrics and a leaderboard, thereby providing researchers a standardized evaluation platform to benchmark and investigate privacy-preserving synthetic data generation methods. Further, we also present a case study showing how to use Struct-Bench to improve the synthetic data quality of Private Evolution (PE) on structured data. The benchmark and the leaderboard have been publicly made available at https://struct-bench.github.io.

  • 10 authors
·
Sep 12, 2025 3

Statically Contextualizing Large Language Models with Typed Holes

Large language models (LLMs) have reshaped the landscape of program synthesis. However, contemporary LLM-based code completion systems often hallucinate broken code because they lack appropriate context, particularly when working with definitions not in the training data nor near the cursor. This paper demonstrates that tight integration with the type and binding structure of a language, as exposed by its language server, can address this contextualization problem in a token-efficient manner. In short, we contend that AIs need IDEs, too! In particular, we integrate LLM code generation into the Hazel live program sketching environment. The Hazel Language Server identifies the type and typing context of the hole being filled, even in the presence of errors, ensuring that a meaningful program sketch is always available. This allows prompting with codebase-wide contextual information not lexically local to the cursor, nor necessarily in the same file, but that is likely to be semantically local to the developer's goal. Completions synthesized by the LLM are then iteratively refined via further dialog with the language server. To evaluate these techniques, we introduce MVUBench, a dataset of model-view-update (MVU) web applications. These applications serve as challenge problems due to their reliance on application-specific data structures. We find that contextualization with type definitions is particularly impactful. After introducing our ideas in the context of Hazel we duplicate our techniques and port MVUBench to TypeScript in order to validate the applicability of these methods to higher-resource languages. Finally, we outline ChatLSP, a conservative extension to the Language Server Protocol (LSP) that language servers can implement to expose capabilities that AI code completion systems of various designs can use to incorporate static context when generating prompts for an LLM.

  • 4 authors
·
Sep 1, 2024 2

Automatically Extracting Web API Specifications from HTML Documentation

Web API specifications are machine-readable descriptions of APIs. These specifications, in combination with related tooling, simplify and support the consumption of APIs. However, despite the increased distribution of web APIs, specifications are rare and their creation and maintenance heavily relies on manual efforts by third parties. In this paper, we propose an automatic approach and an associated tool called D2Spec for extracting specifications from web API documentation pages. Given a seed online documentation page on an API, D2Spec first crawls all documentation pages on the API, and then uses a set of machine learning techniques to extract the base URL, path templates, and HTTP methods, which collectively describe the endpoints of an API. We evaluated whether D2Spec can accurately extract endpoints from documentation on 120 web APIs. The results showed that D2Spec achieved a precision of 87.5% in identifying base URLs, a precision of 81.3% and a recall of 80.6% in generating path templates, and a precision of 84.4% and a recall of 76.2% in extracting HTTP methods. In addition, we found that D2Spec was useful when applied to APIs with pre-existing API specifications: D2Spec revealed many inconsistencies between web API documentation and their corresponding publicly available specifications. Thus, D2Spec can be used by web API providers to keep documentation and specifications in synchronization.

  • 5 authors
·
Jan 26, 2018

Scaling Spatial Reasoning in MLLMs through Programmatic Data Synthesis

Embodied intelligence, a grand challenge in artificial intelligence, is fundamentally constrained by the limited spatial understanding and reasoning capabilities of current models. Prevailing efforts to address this through enhancing Vision-Language Models (VLMs) are trapped in a dilemma: template-based datasets are scalable but structurally rigid, while manual annotation is linguistically diverse but unscalable and, critically, computationally imprecise. We introduce SPRITE, a novel framework that overcomes this dilemma by leveraging simulators and large models to programmatically synthesize scalable, diverse, and high-quality spatial reasoning data. The core innovation of SPRITE is to reframe ground-truth generation as a code-generation task. We utilize LLMs to compile complex spatial questions into executable programs, which are then verified against high-precision scene meta-information extracted from simulators. This ensures our ground truth is both computationally precise and verifiable, while the generative power of LLMs provides vast linguistic diversity. Leveraging this pipeline, we have curated a dataset encompassing 3 simulators, 11k+ scenes, and 300k+ image/video instruction-tuning pairs. We demonstrate that a VLM trained on our data achieves significant performance gains on multiple spatial benchmarks and outperforms other open-source datasets of equivalent size. Furthermore, a scalability analysis confirms our hypothesis that overcoming the low-diversity nature of traditional template methods is essential for building robust, generalizable spatial intelligence. We will make the SPRITE framework code and the full 300k+ dataset publicly available to facilitate future research in spatial intelligence.

  • 12 authors
·
Dec 18, 2025