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Jul 3

CDM: A Reliable Metric for Fair and Accurate Formula Recognition Evaluation

Formula recognition presents significant challenges due to the complicated structure and varied notation of mathematical expressions. Despite continuous advancements in formula recognition models, the evaluation metrics employed by these models, such as BLEU and Edit Distance, still exhibit notable limitations. They overlook the fact that the same formula has diverse representations and is highly sensitive to the distribution of training data, thereby causing the unfairness in formula recognition evaluation. To this end, we propose a Character Detection Matching (CDM) metric, ensuring the evaluation objectivity by designing a image-level rather than LaTex-level metric score. Specifically, CDM renders both the model-predicted LaTeX and the ground-truth LaTeX formulas into image-formatted formulas, then employs visual feature extraction and localization techniques for precise character-level matching, incorporating spatial position information. Such a spatially-aware and character-matching method offers a more accurate and equitable evaluation compared with previous BLEU and Edit Distance metrics that rely solely on text-based character matching. Experimentally, we evaluated various formula recognition models using CDM, BLEU, and ExpRate metrics. Their results demonstrate that the CDM aligns more closely with human evaluation standards and provides a fairer comparison across different models by eliminating discrepancies caused by diverse formula representations.

  • 8 authors
·
Sep 5, 2024 3

What Regularized Auto-Encoders Learn from the Data Generating Distribution

What do auto-encoders learn about the underlying data generating distribution? Recent work suggests that some auto-encoder variants do a good job of capturing the local manifold structure of data. This paper clarifies some of these previous observations by showing that minimizing a particular form of regularized reconstruction error yields a reconstruction function that locally characterizes the shape of the data generating density. We show that the auto-encoder captures the score (derivative of the log-density with respect to the input). It contradicts previous interpretations of reconstruction error as an energy function. Unlike previous results, the theorems provided here are completely generic and do not depend on the parametrization of the auto-encoder: they show what the auto-encoder would tend to if given enough capacity and examples. These results are for a contractive training criterion we show to be similar to the denoising auto-encoder training criterion with small corruption noise, but with contraction applied on the whole reconstruction function rather than just encoder. Similarly to score matching, one can consider the proposed training criterion as a convenient alternative to maximum likelihood because it does not involve a partition function. Finally, we show how an approximate Metropolis-Hastings MCMC can be setup to recover samples from the estimated distribution, and this is confirmed in sampling experiments.

  • 2 authors
·
Nov 18, 2012

An information theoretic necessary condition for perfect reconstruction

A new information theoretic condition is presented for reconstructing a discrete random variable X based on the knowledge of a set of discrete functions of X. The reconstruction condition is derived from Shannon's 1953 lattice theory with two entropic metrics of Shannon and Rajski. Because such a theoretical material is relatively unknown and appears quite dispersed in different references, we first provide a synthetic description (with complete proofs) of its concepts, such as total, common and complementary informations. Definitions and properties of the two entropic metrics are also fully detailed and shown compatible with the lattice structure. A new geometric interpretation of such a lattice structure is then investigated that leads to a necessary (and sometimes sufficient) condition for reconstructing the discrete random variable X given a set { X_1,ldots,X_{n} } of elements in the lattice generated by X. Finally, this condition is illustrated in five specific examples of perfect reconstruction problems: reconstruction of a symmetric random variable from the knowledge of its sign and absolute value, reconstruction of a word from a set of linear combinations, reconstruction of an integer from its prime signature (fundamental theorem of arithmetic) and from its remainders modulo a set of coprime integers (Chinese remainder theorem), and reconstruction of the sorting permutation of a list from a minimal set of pairwise comparisons.

  • 5 authors
·
Jun 27, 2023

UniRec-0.1B: Unified Text and Formula Recognition with 0.1B Parameters

Text and formulas constitute the core informational components of many documents. Accurately and efficiently recognizing both is crucial for developing robust and generalizable document parsing systems. Recently, vision-language models (VLMs) have achieved impressive unified recognition of text and formulas. However, they are large-sized and computationally demanding, restricting their usage in many applications. In this paper, we propose UniRec-0.1B, a unified recognition model with only 0.1B parameters. It is capable of performing text and formula recognition at multiple levels, including characters, words, lines, paragraphs, and documents. To implement this task, we first establish UniRec40M, a large-scale dataset comprises 40 million text, formula and their mix samples, enabling the training of a powerful yet lightweight model. Secondly, we identify two challenges when building such a lightweight but unified expert model. They are: structural variability across hierarchies and semantic entanglement between textual and formulaic content. To tackle these, we introduce a hierarchical supervision training that explicitly guides structural comprehension, and a semantic-decoupled tokenizer that separates text and formula representations. Finally, we develop a comprehensive evaluation benchmark covering Chinese and English documents from multiple domains and with multiple levels. Experimental results on this and public benchmarks demonstrate that UniRec-0.1B outperforms both general-purpose VLMs and leading document parsing expert models, while achieving a 2-9times speedup, validating its effectiveness and efficiency. Codebase and Dataset: https://github.com/Topdu/OpenOCR.

  • 8 authors
·
Dec 24, 2025

MathBridge: A Large-Scale Dataset for Translating Mathematical Expressions into Formula Images

Understanding sentences that contain mathematical expressions in text form poses significant challenges. To address this, the importance of converting these expressions into formula images has been highlighted. For instance, the expression ``x equals minus b plus or minus the square root of b squared minus four a c, all over two a'' is more readily comprehensible when displayed as an image x = -b pm sqrt{b^2 - 4ac}{2a}. To develop a text-to-image conversion system, we can break down the process into text-to-LaTeX and LaTeX-to-image conversions, with the latter being managed with by existing various LaTeX engines. However, the former approach has been notably hindered by the severe scarcity of text-to-LaTeX paired data, presenting a significant challenge in the field.In this context, we introduce MathBridge, the first extensive dataset for translating mathematical spoken English into LaTeX, which aims to establish a robust baseline for future research in text-to-LaTeX translation. MathBridge comprises approximately 23 million LaTeX formulas paired with corresponding spoken English expressions. Through comprehensive evaluations, including fine-tuning and testing with data, we discovered that MathBridge significantly enhances pre-trained language models' capabilities for text-to-LaTeX translation. Specifically, for the T5-large model, the sacreBLEU score increased from 4.77 to 46.8, demonstrating substantial enhancement. Our findings indicate the necessity for a new metric specifically for text-to-LaTeX conversion evaluation.

  • 7 authors
·
Aug 7, 2024 1

Unsupervised Discovery of Formulas for Mathematical Constants

Ongoing efforts that span over decades show a rise of AI methods for accelerating scientific discovery, yet accelerating discovery in mathematics remains a persistent challenge for AI. Specifically, AI methods were not effective in creation of formulas for mathematical constants because each such formula must be correct for infinite digits of precision, with "near-true" formulas providing no insight toward the correct ones. Consequently, formula discovery lacks a clear distance metric needed to guide automated discovery in this realm. In this work, we propose a systematic methodology for categorization, characterization, and pattern identification of such formulas. The key to our methodology is introducing metrics based on the convergence dynamics of the formulas, rather than on the numerical value of the formula. These metrics enable the first automated clustering of mathematical formulas. We demonstrate this methodology on Polynomial Continued Fraction formulas, which are ubiquitous in their intrinsic connections to mathematical constants, and generalize many mathematical functions and structures. We test our methodology on a set of 1,768,900 such formulas, identifying many known formulas for mathematical constants, and discover previously unknown formulas for pi, ln(2), Gauss', and Lemniscate's constants. The uncovered patterns enable a direct generalization of individual formulas to infinite families, unveiling rich mathematical structures. This success paves the way towards a generative model that creates formulas fulfilling specified mathematical properties, accelerating the rate of discovery of useful formulas.

  • 6 authors
·
Dec 21, 2024

Benchmarking Document Parsers on Mathematical Formula Extraction from PDFs

Correctly parsing mathematical formulas from PDFs is critical for training large language models and building scientific knowledge bases from academic literature, yet existing benchmarks either exclude formulas entirely or lack semantically-aware evaluation metrics. We introduce a novel benchmarking framework centered on synthetically generated PDFs with precise LaTeX ground truth, enabling systematic control over layout, formulas, and content characteristics. A key methodological contribution is pioneering LLM-as-a-judge for semantic formula assessment, combined with a robust two-stage matching pipeline that handles parser output inconsistencies. Through human validation on 250 formula pairs (750 ratings from 30 evaluators), we demonstrate that LLM-based evaluation achieves substantially higher correlation with human judgment (Pearson r=0.78) compared to CDM (r=0.34) and text similarity (r~0). Evaluating 20+ contemporary PDF parsers (including specialized OCR models, vision-language models, and rule-based approaches) across 100 synthetic documents with 2,000+ formulas reveals significant performance disparities. Our findings provide crucial insights for practitioners selecting parsers for downstream applications and establish a robust, scalable methodology that enables reproducible evaluation of PDF formula extraction quality. Code and benchmark data: https://github.com/phorn1/pdf-parse-bench

  • 2 authors
·
Dec 10, 2025

CADFit: Precise Mesh-to-CAD Program Generation with Hybrid Optimization

Despite recent progress, recovering parametric CAD construction sequences from geometric input, such as meshes or point clouds, is a key challenge for design and manufacturing, as existing CAD reconstruction and generation methods are largely restricted to difficult-to-edit formats like meshes or Breps or editable simple sketch-and-extrude pipelines and low-complexity datasets. We introduce CADFit, a hybrid optimization-based CAD reconstruction framework that recovers complex, editable CAD construction sequences from meshes by incrementally fitting and validating parametric operations using geometric feedback. Our approach is distinguished by formulating reconstruction as an IoU-driven optimization over structured CAD programs and supporting a rich set of operations, including extrusions, revolutions, fillets, and chamfers. Experiments on multiple CAD benchmarks show that CADFit outperforms state-of-the-art mesh-to-CAD methods in volumetric Intersection-over-Union and Chamfer Distance, while substantially reducing the Invalid Ratio of reconstructed CAD programs, particularly for complex designs. We further present a multimodal pipeline that enables end-to-end reconstruction of CAD construction sequences from images by combining image-based geometry reconstruction with CADFit. By enabling accurate reconstruction of higher-complexity CAD models, CADFit provides a practical foundation for generating richer datasets and advancing future learning-based approaches to CAD reverse engineering. The code is available at: https://github.com/ghadinehme/CADFit.

  • 3 authors
·
Jun 6

OReX: Object Reconstruction from Planar Cross-sections Using Neural Fields

Reconstructing 3D shapes from planar cross-sections is a challenge inspired by downstream applications like medical imaging and geographic informatics. The input is an in/out indicator function fully defined on a sparse collection of planes in space, and the output is an interpolation of the indicator function to the entire volume. Previous works addressing this sparse and ill-posed problem either produce low quality results, or rely on additional priors such as target topology, appearance information, or input normal directions. In this paper, we present OReX, a method for 3D shape reconstruction from slices alone, featuring a Neural Field as the interpolation prior. A modest neural network is trained on the input planes to return an inside/outside estimate for a given 3D coordinate, yielding a powerful prior that induces smoothness and self-similarities. The main challenge for this approach is high-frequency details, as the neural prior is overly smoothing. To alleviate this, we offer an iterative estimation architecture and a hierarchical input sampling scheme that encourage coarse-to-fine training, allowing the training process to focus on high frequencies at later stages. In addition, we identify and analyze a ripple-like effect stemming from the mesh extraction step. We mitigate it by regularizing the spatial gradients of the indicator function around input in/out boundaries during network training, tackling the problem at the root. Through extensive qualitative and quantitative experimentation, we demonstrate our method is robust, accurate, and scales well with the size of the input. We report state-of-the-art results compared to previous approaches and recent potential solutions, and demonstrate the benefit of our individual contributions through analysis and ablation studies.

  • 3 authors
·
Nov 23, 2022

From Residuals to Reasons: LLM-Guided Mechanism Inference from Tabular Data

A persistent challenge in machine learning for scientific applications is jointly achieving prediction and understanding. Statistical models excel on structured data but operate as black boxes, while existing interpretability methods are largely inspective: they answer "which features matter?" but do not articulate how features interact or refine explanations iteratively alongside human understanding. Asking an LLM to predict the target directly forces it to search the entire output space; we instead anchor predictions with a base model and ask the LLM the narrower question of what that model is missing. We introduce Multi-Agent Residual In-Context Learning (MARICL), an agentic framework in which LLM agents analyze where a base-model fails, hypothesize missing structure from high-residual examples provided in context, and produce explicit correction terms refined through multi-turn textual gradient optimization. Across nine benchmarks spanning scientific, biomedical, socioeconomic, and synthetic settings, MARICL improves consistently over its base model on all datasets. To test whether these corrections reflect real structure or batch-specific noise, we freeze formulas learned on one experimental batch of the Cell-Free Protein dataset and apply them (with no retraining and no further LLM calls) to held-out batches. Within the same reagent protocol, the frozen formulas improve predictions in over 92% of cases; across a different protocol, they fail systematically. The success boundary aligns with the biochemistry, not the batch count; direct evidence of mechanistic generalization.

  • 2 authors
·
May 20 1

From Graphs to Hypergraphs: Hypergraph Projection and its Remediation

We study the implications of the modeling choice to use a graph, instead of a hypergraph, to represent real-world interconnected systems whose constituent relationships are of higher order by nature. Such a modeling choice typically involves an underlying projection process that maps the original hypergraph onto a graph, and is common in graph-based analysis. While hypergraph projection can potentially lead to loss of higher-order relations, there exists very limited studies on the consequences of doing so, as well as its remediation. This work fills this gap by doing two things: (1) we develop analysis based on graph and set theory, showing two ubiquitous patterns of hyperedges that are root to structural information loss in all hypergraph projections; we also quantify the combinatorial impossibility of recovering the lost higher-order structures if no extra help is provided; (2) we still seek to recover the lost higher-order structures in hypergraph projection, and in light of (1)'s findings we propose to relax the problem into a learning-based setting. Under this setting, we develop a learning-based hypergraph reconstruction method based on an important statistic of hyperedge distributions that we find. Our reconstruction method is evaluated on 8 real-world datasets under different settings, and exhibits consistently good performance. We also demonstrate benefits of the reconstructed hypergraphs via use cases of protein rankings and link predictions.

  • 2 authors
·
Jan 16, 2024

Nemotron-CC-Math: A 133 Billion-Token-Scale High Quality Math Pretraining Dataset

Pretraining large language models (LLMs) on high-quality, structured data such as mathematics and code substantially enhances reasoning capabilities. However, existing math-focused datasets built from Common Crawl suffer from degraded quality due to brittle extraction heuristics, lossy HTML-to-text conversion, and the failure to reliably preserve mathematical structure. In this work, we introduce Nemotron-CC-Math, a large-scale, high-quality mathematical corpus constructed from Common Crawl using a novel, domain-agnostic pipeline specifically designed for robust scientific text extraction. Unlike previous efforts, our pipeline recovers math across various formats (e.g., MathJax, KaTeX, MathML) by leveraging layout-aware rendering with lynx and a targeted LLM-based cleaning stage. This approach preserves the structural integrity of equations and code blocks while removing boilerplate, standardizing notation into LaTeX representation, and correcting inconsistencies. We collected a large, high-quality math corpus, namely Nemotron-CC-Math-3+ (133B tokens) and Nemotron-CC-Math-4+ (52B tokens). Notably, Nemotron-CC-Math-4+ not only surpasses all prior open math datasets-including MegaMath, FineMath, and OpenWebMath-but also contains 5.5 times more tokens than FineMath-4+, which was previously the highest-quality math pretraining dataset. When used to pretrain a Nemotron-T 8B model, our corpus yields +4.8 to +12.6 gains on MATH and +4.6 to +14.3 gains on MBPP+ over strong baselines, while also improving general-domain performance on MMLU and MMLU-Stem. We present the first pipeline to reliably extract scientific content--including math--from noisy web-scale data, yielding measurable gains in math, code, and general reasoning, and setting a new state of the art among open math pretraining corpora. To support open-source efforts, we release our code and datasets.

  • 6 authors
·
Aug 20, 2025

SURFACEBENCH: Can Self-Evolving LLMs Find the Equations of 3D Scientific Surfaces?

Equation discovery from data is a core challenge in machine learning for science, requiring the recovery of concise symbolic expressions that govern complex physical and geometric phenomena. Recent approaches with large language models (LLMs) show promise in symbolic regression, but their success often hinges on memorized formulas or overly simplified functional forms. Existing benchmarks exacerbate this limitation: they focus on scalar functions, ignore domain grounding, and rely on brittle string-matching based metrics that fail to capture scientific equivalence. We introduce SurfaceBench, first comprehensive benchmark for symbolic surface discovery. SurfaceBench comprises 183 tasks across 15 categories of symbolic complexity, spanning explicit, implicit, and parametric equation representation forms. Each task includes ground-truth equations, variable semantics, and synthetically sampled three dimensional data. Unlike prior SR datasets, our tasks reflect surface-level structure, resist LLM memorization through novel symbolic compositions, and are grounded in scientific domains such as fluid dynamics, robotics, electromagnetics, and geometry. To evaluate equation discovery quality, we pair symbolic checks with geometry-aware metrics such as Chamfer and Hausdorff distances, capturing both algebraic fidelity and spatial reconstruction accuracy. Our experiments reveal that state-of-the-art frameworks, while occasionally successful on specific families, struggle to generalize across representation types and surface complexities. SurfaceBench thus establishes a challenging and diagnostic testbed that bridges symbolic reasoning with geometric reconstruction, enabling principled benchmarking of progress in compositional generalization, data-driven scientific induction, and geometry-aware reasoning with LLMs. We release the code here: https://github.com/Sanchit-404/surfacebench

  • 4 authors
·
Nov 13, 2025

MathFimer: Enhancing Mathematical Reasoning by Expanding Reasoning Steps through Fill-in-the-Middle Task

Mathematical reasoning represents a critical frontier in advancing large language models (LLMs). While step-by-step approaches have emerged as the dominant paradigm for mathematical problem-solving in LLMs, the quality of reasoning steps in training data fundamentally constrains the performance of the models. Recent studies has demonstrated that more detailed intermediate steps can enhance model performance, yet existing methods for step expansion either require more powerful external models or incur substantial computational costs. In this paper, we introduce MathFimer, a novel framework for mathematical reasoning step expansion inspired by the "Fill-in-the-middle" task from code completion. By decomposing solution chains into prefix-suffix pairs and training models to reconstruct missing intermediate steps, we develop a specialized model, MathFimer-7B, on our carefully curated NuminaMath-FIM dataset. We then apply these models to enhance existing mathematical reasoning datasets by inserting detailed intermediate steps into their solution chains, creating MathFimer-expanded versions. Through comprehensive experiments on multiple mathematical reasoning datasets, including MathInstruct, MetaMathQA and etc., we demonstrate that models trained on MathFimer-expanded data consistently outperform their counterparts trained on original data across various benchmarks such as GSM8K and MATH. Our approach offers a practical, scalable solution for enhancing mathematical reasoning capabilities in LLMs without relying on powerful external models or expensive inference procedures.

  • 8 authors
·
Feb 17, 2025

Speech-to-LaTeX: New Models and Datasets for Converting Spoken Equations and Sentences

Conversion of spoken mathematical expressions is a challenging task that involves transcribing speech into a strictly structured symbolic representation while addressing the ambiguity inherent in the pronunciation of equations. Although significant progress has been achieved in automatic speech recognition (ASR) and language models (LM), the problem of converting spoken mathematics into LaTeX remains underexplored. This task directly applies to educational and research domains, such as lecture transcription or note creation. Based on ASR post-correction, prior work requires 2 transcriptions, focuses only on isolated equations, has a limited test set, and provides neither training data nor multilingual coverage. To address these issues, we present the first fully open-source large-scale dataset, comprising over 66,000 human-annotated audio samples of mathematical equations and sentences in both English and Russian, drawn from diverse scientific domains. In addition to the ASR post-correction models and few-shot prompting, we apply audio language models, demonstrating comparable character error rate (CER) results on the MathSpeech benchmark (28% vs. 30%) for the equations conversion. In contrast, on the proposed S2L-equations benchmark, our models outperform the MathSpeech model by a substantial margin of more than 40 percentage points, even after accounting for LaTeX formatting artifacts (27% vs. 64%). We establish the first benchmark for mathematical sentence recognition (S2L-sentences) and achieve an equation CER of 40%. This work lays the groundwork for future advances in multimodal AI, with a particular focus on mathematical content recognition.

  • 9 authors
·
Aug 5, 2025 2

MTFusion: Reconstructing Any 3D Object from Single Image Using Multi-word Textual Inversion

Reconstructing 3D models from single-view images is a long-standing problem in computer vision. The latest advances for single-image 3D reconstruction extract a textual description from the input image and further utilize it to synthesize 3D models. However, existing methods focus on capturing a single key attribute of the image (e.g., object type, artistic style) and fail to consider the multi-perspective information required for accurate 3D reconstruction, such as object shape and material properties. Besides, the reliance on Neural Radiance Fields hinders their ability to reconstruct intricate surfaces and texture details. In this work, we propose MTFusion, which leverages both image data and textual descriptions for high-fidelity 3D reconstruction. Our approach consists of two stages. First, we adopt a novel multi-word textual inversion technique to extract a detailed text description capturing the image's characteristics. Then, we use this description and the image to generate a 3D model with FlexiCubes. Additionally, MTFusion enhances FlexiCubes by employing a special decoder network for Signed Distance Functions, leading to faster training and finer surface representation. Extensive evaluations demonstrate that our MTFusion surpasses existing image-to-3D methods on a wide range of synthetic and real-world images. Furthermore, the ablation study proves the effectiveness of our network designs.

  • 5 authors
·
Nov 18, 2024

Decompositional Neural Scene Reconstruction with Generative Diffusion Prior

Decompositional reconstruction of 3D scenes, with complete shapes and detailed texture of all objects within, is intriguing for downstream applications but remains challenging, particularly with sparse views as input. Recent approaches incorporate semantic or geometric regularization to address this issue, but they suffer significant degradation in underconstrained areas and fail to recover occluded regions. We argue that the key to solving this problem lies in supplementing missing information for these areas. To this end, we propose DP-Recon, which employs diffusion priors in the form of Score Distillation Sampling (SDS) to optimize the neural representation of each individual object under novel views. This provides additional information for the underconstrained areas, but directly incorporating diffusion prior raises potential conflicts between the reconstruction and generative guidance. Therefore, we further introduce a visibility-guided approach to dynamically adjust the per-pixel SDS loss weights. Together these components enhance both geometry and appearance recovery while remaining faithful to input images. Extensive experiments across Replica and ScanNet++ demonstrate that our method significantly outperforms SOTA methods. Notably, it achieves better object reconstruction under 10 views than the baselines under 100 views. Our method enables seamless text-based editing for geometry and appearance through SDS optimization and produces decomposed object meshes with detailed UV maps that support photorealistic Visual effects (VFX) editing. The project page is available at https://dp-recon.github.io/.

  • 7 authors
·
Mar 18, 2025 2

Making Reconstruction-based Method Great Again for Video Anomaly Detection

Anomaly detection in videos is a significant yet challenging problem. Previous approaches based on deep neural networks employ either reconstruction-based or prediction-based approaches. Nevertheless, existing reconstruction-based methods 1) rely on old-fashioned convolutional autoencoders and are poor at modeling temporal dependency; 2) are prone to overfit the training samples, leading to indistinguishable reconstruction errors of normal and abnormal frames during the inference phase. To address such issues, firstly, we get inspiration from transformer and propose {textbf S}patio-{textbf T}emporal {textbf A}uto-{textbf T}rans-{textbf E}ncoder, dubbed as STATE, as a new autoencoder model for enhanced consecutive frame reconstruction. Our STATE is equipped with a specifically designed learnable convolutional attention module for efficient temporal learning and reasoning. Secondly, we put forward a novel reconstruction-based input perturbation technique during testing to further differentiate anomalous frames. With the same perturbation magnitude, the testing reconstruction error of the normal frames lowers more than that of the abnormal frames, which contributes to mitigating the overfitting problem of reconstruction. Owing to the high relevance of the frame abnormality and the objects in the frame, we conduct object-level reconstruction using both the raw frame and the corresponding optical flow patches. Finally, the anomaly score is designed based on the combination of the raw and motion reconstruction errors using perturbed inputs. Extensive experiments on benchmark video anomaly detection datasets demonstrate that our approach outperforms previous reconstruction-based methods by a notable margin, and achieves state-of-the-art anomaly detection performance consistently. The code is available at https://github.com/wyzjack/MRMGA4VAD.

  • 6 authors
·
Jan 27, 2023

Learning to Detect Multi-class Anomalies with Just One Normal Image Prompt

Unsupervised reconstruction networks using self-attention transformers have achieved state-of-the-art performance for multi-class (unified) anomaly detection with a single model. However, these self-attention reconstruction models primarily operate on target features, which may result in perfect reconstruction for both normal and anomaly features due to high consistency with context, leading to failure in detecting anomalies. Additionally, these models often produce inaccurate anomaly segmentation due to performing reconstruction in a low spatial resolution latent space. To enable reconstruction models enjoying high efficiency while enhancing their generalization for unified anomaly detection, we propose a simple yet effective method that reconstructs normal features and restores anomaly features with just One Normal Image Prompt (OneNIP). In contrast to previous work, OneNIP allows for the first time to reconstruct or restore anomalies with just one normal image prompt, effectively boosting unified anomaly detection performance. Furthermore, we propose a supervised refiner that regresses reconstruction errors by using both real normal and synthesized anomalous images, which significantly improves pixel-level anomaly segmentation. OneNIP outperforms previous methods on three industry anomaly detection benchmarks: MVTec, BTAD, and VisA. The code and pre-trained models are available at https://github.com/gaobb/OneNIP.

  • 1 authors
·
May 14, 2025 2

LATTE: Improving Latex Recognition for Tables and Formulae with Iterative Refinement

Portable Document Format (PDF) files are dominantly used for storing and disseminating scientific research, legal documents, and tax information. LaTeX is a popular application for creating PDF documents. Despite its advantages, LaTeX is not WYSWYG -- what you see is what you get, i.e., the LaTeX source and rendered PDF images look drastically different, especially for formulae and tables. This gap makes it hard to modify or export LaTeX sources for formulae and tables from PDF images, and existing work is still limited. First, prior work generates LaTeX sources in a single iteration and struggles with complex LaTeX formulae. Second, existing work mainly recognizes and extracts LaTeX sources for formulae; and is incapable or ineffective for tables. This paper proposes LATTE, the first iterative refinement framework for LaTeX recognition. Specifically, we propose delta-view as feedback, which compares and pinpoints the differences between a pair of rendered images of the extracted LaTeX source and the expected correct image. Such delta-view feedback enables our fault localization model to localize the faulty parts of the incorrect recognition more accurately and enables our LaTeX refinement model to repair the incorrect extraction more accurately. LATTE improves the LaTeX source extraction accuracy of both LaTeX formulae and tables, outperforming existing techniques as well as GPT-4V by at least 7.07% of exact match, with a success refinement rate of 46.08% (formula) and 25.51% (table).

  • 5 authors
·
Sep 21, 2024

Generalized Teacher Forcing for Learning Chaotic Dynamics

Chaotic dynamical systems (DS) are ubiquitous in nature and society. Often we are interested in reconstructing such systems from observed time series for prediction or mechanistic insight, where by reconstruction we mean learning geometrical and invariant temporal properties of the system in question (like attractors). However, training reconstruction algorithms like recurrent neural networks (RNNs) on such systems by gradient-descent based techniques faces severe challenges. This is mainly due to exploding gradients caused by the exponential divergence of trajectories in chaotic systems. Moreover, for (scientific) interpretability we wish to have as low dimensional reconstructions as possible, preferably in a model which is mathematically tractable. Here we report that a surprisingly simple modification of teacher forcing leads to provably strictly all-time bounded gradients in training on chaotic systems, and, when paired with a simple architectural rearrangement of a tractable RNN design, piecewise-linear RNNs (PLRNNs), allows for faithful reconstruction in spaces of at most the dimensionality of the observed system. We show on several DS that with these amendments we can reconstruct DS better than current SOTA algorithms, in much lower dimensions. Performance differences were particularly compelling on real world data with which most other methods severely struggled. This work thus led to a simple yet powerful DS reconstruction algorithm which is highly interpretable at the same time.

  • 4 authors
·
Jun 7, 2023

LLM Context Conditioning and PWP Prompting for Multimodal Validation of Chemical Formulas

Identifying subtle technical errors within complex scientific and technical documents, especially those requiring multimodal interpretation (e.g., formulas in images), presents a significant hurdle for Large Language Models (LLMs) whose inherent error-correction tendencies can mask inaccuracies. This exploratory proof-of-concept (PoC) study investigates structured LLM context conditioning, informed by Persistent Workflow Prompting (PWP) principles, as a methodological strategy to modulate this LLM behavior at inference time. The approach is designed to enhance the reliability of readily available, general-purpose LLMs (specifically Gemini 2.5 Pro and ChatGPT Plus o3) for precise validation tasks, crucially relying only on their standard chat interfaces without API access or model modifications. To explore this methodology, we focused on validating chemical formulas within a single, complex test paper with known textual and image-based errors. Several prompting strategies were evaluated: while basic prompts proved unreliable, an approach adapting PWP structures to rigorously condition the LLM's analytical mindset appeared to improve textual error identification with both models. Notably, this method also guided Gemini 2.5 Pro to repeatedly identify a subtle image-based formula error previously overlooked during manual review, a task where ChatGPT Plus o3 failed in our tests. These preliminary findings highlight specific LLM operational modes that impede detail-oriented validation and suggest that PWP-informed context conditioning offers a promising and highly accessible technique for developing more robust LLM-driven analytical workflows, particularly for tasks requiring meticulous error detection in scientific and technical documents. Extensive validation beyond this limited PoC is necessary to ascertain broader applicability.

  • 1 authors
·
May 18, 2025 2

Surprised by Attention: Predictable Query Dynamics for Time Series Anomaly Detection

Multivariate time series anomalies often manifest as shifts in cross-channel dependencies rather than simple amplitude excursions. In autonomous driving, for instance, a steering command might be internally consistent but decouple from the resulting lateral acceleration. Residual-based detectors can miss such anomalies when flexible sequence models still reconstruct signals plausibly despite altered coordination. We introduce AxonAD, an unsupervised detector that treats multi-head attention query evolution as a short horizon predictable process. A gradient-updated reconstruction pathway is coupled with a history-only predictor that forecasts future query vectors from past context. This is trained via a masked predictor-target objective against an exponential moving average (EMA) target encoder. At inference, reconstruction error is combined with a tail-aggregated query mismatch score, which measures cosine deviation between predicted and target queries on recent timesteps. This dual approach provides sensitivity to structural dependency shifts while retaining amplitude-level detection. On proprietary in-vehicle telemetry with interval annotations and on the TSB-AD multi-variate suite (17 datasets, 180 series) with threshold-free and range-aware metrics, AxonAD improves ranking quality and temporal localization over strong baselines. Ablations confirm that query prediction and combined scoring are the primary drivers of the observed gains. Code is available at the URL https://github.com/iis-esslingen/AxonAD.

Bridging Logic and Learning: Decoding Temporal Logic Embeddings via Transformers

Continuous representations of logic formulae allow us to integrate symbolic knowledge into data-driven learning algorithms. If such embeddings are semantically consistent, i.e. if similar specifications are mapped into nearby vectors, they enable continuous learning and optimization directly in the semantic space of formulae. However, to translate the optimal continuous representation into a concrete requirement, such embeddings must be invertible. We tackle this issue by training a Transformer-based decoder-only model to invert semantic embeddings of Signal Temporal Logic (STL) formulae. STL is a powerful formalism that allows us to describe properties of signals varying over time in an expressive yet concise way. By constructing a small vocabulary from STL syntax, we demonstrate that our proposed model is able to generate valid formulae after only 1 epoch and to generalize to the semantics of the logic in about 10 epochs. Additionally, the model is able to decode a given embedding into formulae that are often simpler in terms of length and nesting while remaining semantically close (or equivalent) to gold references. We show the effectiveness of our methodology across various levels of training formulae complexity to assess the impact of training data on the model's ability to effectively capture the semantic information contained in the embeddings and generalize out-of-distribution. Finally, we deploy our model for solving a requirement mining task, i.e. inferring STL specifications that solve a classification task on trajectories, performing the optimization directly in the semantic space.

  • 4 authors
·
Jul 9, 2025

From Orbit to Ground: Generative City Photogrammetry from Extreme Off-Nadir Satellite Images

City-scale 3D reconstruction from satellite imagery presents the challenge of extreme viewpoint extrapolation, where our goal is to synthesize ground-level novel views from sparse orbital images with minimal parallax. This requires inferring nearly 90^circ viewpoint gaps from image sources with severely foreshortened facades and flawed textures, causing state-of-the-art reconstruction engines such as NeRF and 3DGS to fail. To address this problem, we propose two design choices tailored for city structures and satellite inputs. First, we model city geometry as a 2.5D height map, implemented as a Z-monotonic signed distance field (SDF) that matches urban building layouts from top-down viewpoints. This stabilizes geometry optimization under sparse, off-nadir satellite views and yields a watertight mesh with crisp roofs and clean, vertically extruded facades. Second, we paint the mesh appearance from satellite images via differentiable rendering techniques. While the satellite inputs may contain long-range, blurry captures, we further train a generative texture restoration network to enhance the appearance, recovering high-frequency, plausible texture details from degraded inputs. Our method's scalability and robustness are demonstrated through extensive experiments on large-scale urban reconstruction. For example, in our teaser figure, we reconstruct a 4,km^2 real-world region from only a few satellite images, achieving state-of-the-art performance in synthesizing photorealistic ground views. The resulting models are not only visually compelling but also serve as high-fidelity, application-ready assets for downstream tasks like urban planning and simulation. Project page can be found at https://pku-vcl-geometry.github.io/Orbit2Ground/.

  • 13 authors
·
Dec 8, 2025

Uniform Attention Maps: Boosting Image Fidelity in Reconstruction and Editing

Text-guided image generation and editing using diffusion models have achieved remarkable advancements. Among these, tuning-free methods have gained attention for their ability to perform edits without extensive model adjustments, offering simplicity and efficiency. However, existing tuning-free approaches often struggle with balancing fidelity and editing precision. Reconstruction errors in DDIM Inversion are partly attributed to the cross-attention mechanism in U-Net, which introduces misalignments during the inversion and reconstruction process. To address this, we analyze reconstruction from a structural perspective and propose a novel approach that replaces traditional cross-attention with uniform attention maps, significantly enhancing image reconstruction fidelity. Our method effectively minimizes distortions caused by varying text conditions during noise prediction. To complement this improvement, we introduce an adaptive mask-guided editing technique that integrates seamlessly with our reconstruction approach, ensuring consistency and accuracy in editing tasks. Experimental results demonstrate that our approach not only excels in achieving high-fidelity image reconstruction but also performs robustly in real image composition and editing scenarios. This study underscores the potential of uniform attention maps to enhance the fidelity and versatility of diffusion-based image processing methods. Code is available at https://github.com/Mowenyii/Uniform-Attention-Maps.

  • 5 authors
·
Nov 29, 2024

AutoKnots: Adaptive Knot Allocation for Spline Interpolation

In astrophysical and cosmological analyses, the increasing quality and volume of astronomical data demand efficient and precise computational tools. This work introduces a novel adaptive algorithm for automatic knots (AutoKnots) allocation in spline interpolation, designed to meet user-defined precision requirements. Unlike traditional methods that rely on manually configured knot distributions with numerous parameters, the proposed technique automatically determines the optimal number and placement of knots based on interpolation error criteria. This simplifies configuration, often requiring only a single parameter. The algorithm progressively improves the interpolation by adaptively sampling the function-to-be-approximated, f(x), in regions where the interpolation error exceeds the desired threshold. All function evaluations contribute directly to the final approximation, ensuring efficiency. While each resampling step involves recomputing the interpolation table, this process is highly optimized and usually computationally negligible compared to the cost of evaluating f(x). We show the algorithm's efficacy through a series of precision tests on different functions. However, the study underscores the necessity for caution when dealing with certain function types, notably those featuring plateaus. To address this challenge, a heuristic enhancement is incorporated, improving accuracy in flat regions. This algorithm has been extensively used and tested over the years. NumCosmo includes a comprehensive set of unit tests that rigorously evaluate the algorithm both directly and indirectly, underscoring its robustness and reliability. As a practical application, we compute the surface mass density Sigma(R) and the average surface mass density Sigma(<R) for Navarro-Frenk-White and Hernquist halo density profiles, which provide analytical benchmarks. (abridged)

  • 4 authors
·
Dec 17, 2024

ReForm: Reflective Autoformalization with Prospective Bounded Sequence Optimization

Autoformalization, which translates natural language mathematics into machine-verifiable formal statements, is critical for using formal mathematical reasoning to solve math problems stated in natural language. While Large Language Models can generate syntactically correct formal statements, they often fail to preserve the original problem's semantic intent. This limitation arises from the LLM approaches' treating autoformalization as a simplistic translation task which lacks mechanisms for self-reflection and iterative refinement that human experts naturally employ. To address these issues, we propose ReForm, a Reflective Autoformalization method that tightly integrates semantic consistency evaluation into the autoformalization process. This enables the model to iteratively generate formal statements, assess its semantic fidelity, and self-correct identified errors through progressive refinement. To effectively train this reflective model, we introduce Prospective Bounded Sequence Optimization (PBSO), which employs different rewards at different sequence positions to ensure that the model develops both accurate autoformalization and correct semantic validations, preventing superficial critiques that would undermine the purpose of reflection. Extensive experiments across four autoformalization benchmarks demonstrate that ReForm achieves an average improvement of 17.2 percentage points over the strongest baselines. To further ensure evaluation reliability, we introduce ConsistencyCheck, a benchmark of 859 expert-annotated items that not only validates LLMs as judges but also reveals that autoformalization is inherently difficult: even human experts produce semantic errors in up to 38.5% of cases.

  • 9 authors
·
Oct 28, 2025 2

A Vector-Based Algorithm for Generating Complete Balanced Reaction Sets with Arbitrary Numbers of Reagents

We present a vector-based method to balance chemical reactions. The algorithm builds candidates in a deterministic way, removes duplicates, and always prints coefficients in the lowest whole-number form. For redox cases, electrons and protons/hydroxide are treated explicitly, so both mass and charge are balanced. We also outline the basic principles of the vector formulation of stoichiometry, interpreting reactions as integer vectors in composition space, this geometric view supports compact visualizations of reagent-product interactions and helps surface distinct reaction families. The method enumerates valid balances for arbitrary user-specified species lists without special-case balancing rules or symbolic tricks, and it provides a clean foundation for developing new algorithmic variants (e.g., alternative objectives or constraints). On representative examples (neutralization, double displacement, decomposition, classical redox, small multicomponent sets) and a negative control, the method produced correct integer balances. When multiple balances exist, we report a canonical one - minimizing the total coefficient sum with a simple tie-breaker - without claiming global optimality beyond the solutions the search enumerates. The procedure applies per reaction and extends to reaction networks via consistent per-reaction application. We do not report runtimes, broader benchmarking and code/data release are planned.

  • 3 authors
·
Oct 29, 2025

SAM3D-Phys: Towards Multi-Object Interactive Simulation in Real World

This work addresses the problem of recovering complete, simulatable object geometry from reconstructed real-world scenes, enabling physics-based interaction with objects embedded in the scene. While modern multi-view reconstruction methods can produce visually accurate environments, objects are often incomplete due to occlusions and limited observations, making them unsuitable for physics simulation. To address this limitation, we propose SAM3D-Phys, a framework that integrates scene reconstruction with generative 3D priors of SAM3D to recover physically simulatable objects. Our approach first reconstructs the scene from multi-view images to obtain scene geometry and partial observations of objects. We then leverage SAM3D to infer complete object geometry from these partial observations. To ensure that the recovered objects remain consistent with the reconstructed scene, we restore scene-consistent object states through two complementary strategies: a physics-constrained spatial optimization algorithm that iteratively aligns the recovered object to its original location, and a mask-guided appearance distillation module that refines texture fidelity based on the observed images. By recovering complete object geometry and restoring its pose and appearance within the scene, SAM3D-Phys produces clean object representations suitable for physics-based simulation, enabling simultaneous and physically consistent interactive simulation of multiple objects within a reconstructed scene. Project page: https://chnxindong.github.io/sam3d-phys/

  • 6 authors
·
May 27

InvAD: Inversion-based Reconstruction-Free Anomaly Detection with Diffusion Models

Despite the remarkable success, recent reconstruction-based anomaly detection (AD) methods via diffusion modeling still involve fine-grained noise-strength tuning and computationally expensive multi-step denoising, leading to a fundamental tension between fidelity and efficiency. In this paper, we propose InvAD, a novel inversion-based anomaly detection approach ("detection via noising in latent space") that circumvents explicit reconstruction. Importantly, we contend that the limitations in prior reconstruction-based methods originate from the prevailing "detection via denoising in RGB space" paradigm. To address this, we model AD under a reconstruction-free formulation, which directly infers the final latent variable corresponding to the input image via DDIM inversion, and then measures the deviation based on the known prior distribution for anomaly scoring. Specifically, in approximating the original probability flow ODE using the Euler method, we enforce only a few inversion steps to noise the clean image to pursue inference efficiency. As the added noise is adaptively derived with the learned diffusion model, the original features for the clean testing image can still be leveraged to yield high detection accuracy. We perform extensive experiments and detailed analyses across four widely used industrial and medical AD benchmarks under the unsupervised unified setting to demonstrate the effectiveness of our model, achieving state-of-the-art AD performance and approximately 2x inference-time speedup without diffusion distillation.

  • 5 authors
·
Apr 8, 2025

LeanProgress: Guiding Search for Neural Theorem Proving via Proof Progress Prediction

Mathematical reasoning remains a significant challenge for Large Language Models (LLMs) due to hallucinations. When combined with formal proof assistants like Lean, these hallucinations can be eliminated through rigorous verification, making theorem proving reliable. However, even with formal verification, LLMs still struggle with long proofs and complex mathematical formalizations. While Lean with LLMs offers valuable assistance with retrieving lemmas, generating tactics, or even complete proofs, it lacks a crucial capability: providing a sense of proof progress. This limitation particularly impacts the overall development efficiency in large formalization projects. We introduce LeanProgress, a method that predicts the progress in the proof. Training and evaluating our models made on a large corpus of Lean proofs from Lean Workbook Plus and Mathlib4 and how many steps remain to complete it, we employ data preprocessing and balancing techniques to handle the skewed distribution of proof lengths. Our experiments show that LeanProgress achieves an overall prediction accuracy of 75.1\% in predicting the amount of progress and, hence, the remaining number of steps. When integrated into a best-first search framework using Reprover, our method shows a 3.8\% improvement on Mathlib4 compared to baseline performances of 41.2\%, particularly for longer proofs. These results demonstrate how proof progress prediction can enhance both automated and interactive theorem proving, enabling users to make more informed decisions about proof strategies.

  • 4 authors
·
Feb 25, 2025

Generating Mathematical Derivations with Large Language Models

The derivation of mathematical results in specialised fields using Large Language Models (LLMs) is an emerging research direction that can help identify models' limitations, and potentially support mathematical discovery. In this paper, we leverage a symbolic engine to generate derivations of equations at scale, and investigate the capabilities of LLMs when deriving goal equations from premises. Specifically, we employ in-context learning for GPT and fine-tune a range of T5 models to compare the robustness and generalisation of pre-training strategies to specialised models. Empirical results show that fine-tuned FLAN-T5-large (MathT5) outperforms GPT models on all static and out-of-distribution test sets in terms of absolute performance. However, an in-depth analysis reveals that the fine-tuned models are more sensitive to perturbations involving unseen symbols and (to a lesser extent) changes to equation structure. In addition, we analyse 1.7K equations and over 200 derivations to highlight common reasoning errors such as the inclusion of incorrect, irrelevant, and redundant equations, along with the tendency to skip derivation steps. Finally, we explore the suitability of existing metrics for evaluating mathematical derivations finding evidence that, while they capture general properties such as sensitivity to perturbations, they fail to highlight fine-grained reasoning errors and essential differences between models. Overall, this work demonstrates that training models on synthetic data can improve their mathematical capabilities beyond larger architectures.

  • 3 authors
·
Jul 19, 2023

From Density to Geometry: YOLOv8 Instance Segmentation for Reverse Engineering of Optimized Structures

This paper introduces YOLOv8-TO, a novel approach for reverse engineering of topology-optimized structures into interpretable geometric parameters using the YOLOv8 instance segmentation model. Density-based topology optimization methods require post-processing to convert the optimal density distribution into a parametric representation for design exploration and integration with CAD tools. Traditional methods such as skeletonization struggle with complex geometries and require manual intervention. YOLOv8-TO addresses these challenges by training a custom YOLOv8 model to automatically detect and reconstruct structural components from binary density distributions. The model is trained on a diverse dataset of both optimized and random structures generated using the Moving Morphable Components method. A custom reconstruction loss function based on the dice coefficient of the predicted geometry is used to train the new regression head of the model via self-supervised learning. The method is evaluated on test sets generated from different topology optimization methods, including out-of-distribution samples, and compared against a skeletonization approach. Results show that YOLOv8-TO significantly outperforms skeletonization in reconstructing visually and structurally similar designs. The method showcases an average improvement of 13.84% in the Dice coefficient, with peak enhancements reaching 20.78%. The method demonstrates good generalization to complex geometries and fast inference times, making it suitable for integration into design workflows using regular workstations. Limitations include the sensitivity to non-max suppression thresholds. YOLOv8-TO represents a significant advancement in topology optimization post-processing, enabling efficient and accurate reverse engineering of optimized structures for design exploration and manufacturing.

  • 4 authors
·
Apr 29, 2024

Volume Rendering of Neural Implicit Surfaces

Neural volume rendering became increasingly popular recently due to its success in synthesizing novel views of a scene from a sparse set of input images. So far, the geometry learned by neural volume rendering techniques was modeled using a generic density function. Furthermore, the geometry itself was extracted using an arbitrary level set of the density function leading to a noisy, often low fidelity reconstruction. The goal of this paper is to improve geometry representation and reconstruction in neural volume rendering. We achieve that by modeling the volume density as a function of the geometry. This is in contrast to previous work modeling the geometry as a function of the volume density. In more detail, we define the volume density function as Laplace's cumulative distribution function (CDF) applied to a signed distance function (SDF) representation. This simple density representation has three benefits: (i) it provides a useful inductive bias to the geometry learned in the neural volume rendering process; (ii) it facilitates a bound on the opacity approximation error, leading to an accurate sampling of the viewing ray. Accurate sampling is important to provide a precise coupling of geometry and radiance; and (iii) it allows efficient unsupervised disentanglement of shape and appearance in volume rendering. Applying this new density representation to challenging scene multiview datasets produced high quality geometry reconstructions, outperforming relevant baselines. Furthermore, switching shape and appearance between scenes is possible due to the disentanglement of the two.

  • 4 authors
·
Jun 22, 2021

RESTORE: Graph Embedding Assessment Through Reconstruction

Following the success of Word2Vec embeddings, graph embeddings (GEs) have gained substantial traction. GEs are commonly generated and evaluated extrinsically on downstream applications, but intrinsic evaluations of the original graph properties in terms of topological structure and semantic information have been lacking. Understanding these will help identify the deficiency of the various families of GE methods when vectorizing graphs in terms of preserving the relevant knowledge or learning incorrect knowledge. To address this, we propose RESTORE, a framework for intrinsic GEs assessment through graph reconstruction. We show that reconstructing the original graph from the underlying GEs yields insights into the relative amount of information preserved in a given vector form. We first introduce the graph reconstruction task. We generate GEs from three GE families based on factorization methods, random walks, and deep learning (with representative algorithms from each family) on the CommonSense Knowledge Graph (CSKG). We analyze their effectiveness in preserving the (a) topological structure of node-level graph reconstruction with an increasing number of hops and (b) semantic information on various word semantic and analogy tests. Our evaluations show deep learning-based GE algorithm (SDNE) is overall better at preserving (a) with a mean average precision (mAP) of 0.54 and 0.35 for 2 and 3-hop reconstruction respectively, while the factorization-based algorithm (HOPE) is better at encapsulating (b) with an average Euclidean distance of 0.14, 0.17, and 0.11 for 1, 2, and 3-hop reconstruction respectively. The modest performance of these GEs leaves room for further research avenues on better graph representation learning.

  • 7 authors
·
Aug 28, 2023

Reasmory: 3D Reconstruction as Explicit Memory for VLMs Spatial Reasoning

Vision-Language Models (VLMs) exhibit emerging spatial reasoning capabilities, yet they remain unreliable on tasks requiring precise spatial understanding, such as viewpoint reasoning, directional comparison, and distance estimation. In multi-view images and monocular videos, relevant spatial cues are often sparse and distributed across redundant observations, making them difficult to organize and exploit. Reconstruction-based Vision Foundation Models (VFMs) offer a natural way to aggregate such observations into explicit spatial memory, such as point clouds. However, simply exposing reconstruction models as free-form tools is brittle, VLMs may invoke tools incorrectly, skip required spatial transformations, or misuse intermediate results. We propose Reasmory, a framework that formulates spatial reasoning as structured program execution over reconstructed spatial memory. Reasmory constructs explicit 3D memory, augments it with semantically grounded 3D object instances, and introduces a lightweight Domain-Specific Language (DSL) that constrains how VLMs query objects and cameras, transform viewpoints, and render observations during reasoning. Generated programs are parsed and validated before execution, enabling more reliable interaction with spatial memory than unconstrained tool use. Experiments on multi-view image and video spatial reasoning benchmarks show consistent gains of 6--18\% over strong baselines, including GPT-5-mini and Gemini-3-flash, indicating that explicit 3D memory is most useful when accessed through constrained, validated operations rather than free-form tool calls.

  • 4 authors
·
May 30

LLM-Guided Quantified SMT Solving over Uninterpreted Functions

Quantified formulas with Uninterpreted Functions (UFs) over non-linear real arithmetic pose fundamental challenges for Satisfiability Modulo Theories (SMT) solving. Traditional quantifier instantiation methods struggle because they lack semantic understanding of UF constraints, forcing them to search through unbounded solution spaces with limited guidance. We present AquaForte, a framework that leverages Large Language Models to provide semantic guidance for UF instantiation by generating instantiated candidates for function definitions that satisfy the constraints, thereby significantly reducing the search space and complexity for solvers. Our approach preprocesses formulas through constraint separation, uses structured prompts to extract mathematical reasoning from LLMs, and integrates the results with traditional SMT algorithms through adaptive instantiation. AquaForte maintains soundness through systematic validation: LLM-guided instantiations yielding SAT solve the original problem, while UNSAT results generate exclusion clauses for iterative refinement. Completeness is preserved by fallback to traditional solvers augmented with learned constraints. Experimental evaluation on SMT-COMP benchmarks demonstrates that AquaForte solves numerous instances where state-of-the-art solvers like Z3 and CVC5 timeout, with particular effectiveness on satisfiable formulas. Our work shows that LLMs can provide valuable mathematical intuition for symbolic reasoning, establishing a new paradigm for SMT constraint solving.

  • 6 authors
·
Jan 8

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

One-2-3-45: Any Single Image to 3D Mesh in 45 Seconds without Per-Shape Optimization

Single image 3D reconstruction is an important but challenging task that requires extensive knowledge of our natural world. Many existing methods solve this problem by optimizing a neural radiance field under the guidance of 2D diffusion models but suffer from lengthy optimization time, 3D inconsistency results, and poor geometry. In this work, we propose a novel method that takes a single image of any object as input and generates a full 360-degree 3D textured mesh in a single feed-forward pass. Given a single image, we first use a view-conditioned 2D diffusion model, Zero123, to generate multi-view images for the input view, and then aim to lift them up to 3D space. Since traditional reconstruction methods struggle with inconsistent multi-view predictions, we build our 3D reconstruction module upon an SDF-based generalizable neural surface reconstruction method and propose several critical training strategies to enable the reconstruction of 360-degree meshes. Without costly optimizations, our method reconstructs 3D shapes in significantly less time than existing methods. Moreover, our method favors better geometry, generates more 3D consistent results, and adheres more closely to the input image. We evaluate our approach on both synthetic data and in-the-wild images and demonstrate its superiority in terms of both mesh quality and runtime. In addition, our approach can seamlessly support the text-to-3D task by integrating with off-the-shelf text-to-image diffusion models.

  • 7 authors
·
Jun 29, 2023 7

UniGeo: Unifying Geometry Logical Reasoning via Reformulating Mathematical Expression

Geometry problem solving is a well-recognized testbed for evaluating the high-level multi-modal reasoning capability of deep models. In most existing works, two main geometry problems: calculation and proving, are usually treated as two specific tasks, hindering a deep model to unify its reasoning capability on multiple math tasks. However, in essence, these two tasks have similar problem representations and overlapped math knowledge which can improve the understanding and reasoning ability of a deep model on both two tasks. Therefore, we construct a large-scale Unified Geometry problem benchmark, UniGeo, which contains 4,998 calculation problems and 9,543 proving problems. Each proving problem is annotated with a multi-step proof with reasons and mathematical expressions. The proof can be easily reformulated as a proving sequence that shares the same formats with the annotated program sequence for calculation problems. Naturally, we also present a unified multi-task Geometric Transformer framework, Geoformer, to tackle calculation and proving problems simultaneously in the form of sequence generation, which finally shows the reasoning ability can be improved on both two tasks by unifying formulation. Furthermore, we propose a Mathematical Expression Pretraining (MEP) method that aims to predict the mathematical expressions in the problem solution, thus improving the Geoformer model. Experiments on the UniGeo demonstrate that our proposed Geoformer obtains state-of-the-art performance by outperforming task-specific model NGS with over 5.6% and 3.2% accuracies on calculation and proving problems, respectively.

  • 7 authors
·
Dec 5, 2022

Unsupervised Anomaly Detection in Medical Images with a Memory-augmented Multi-level Cross-attentional Masked Autoencoder

Unsupervised anomaly detection (UAD) aims to find anomalous images by optimising a detector using a training set that contains only normal images. UAD approaches can be based on reconstruction methods, self-supervised approaches, and Imagenet pre-trained models. Reconstruction methods, which detect anomalies from image reconstruction errors, are advantageous because they do not rely on the design of problem-specific pretext tasks needed by self-supervised approaches, and on the unreliable translation of models pre-trained from non-medical datasets. However, reconstruction methods may fail because they can have low reconstruction errors even for anomalous images. In this paper, we introduce a new reconstruction-based UAD approach that addresses this low-reconstruction error issue for anomalous images. Our UAD approach, the memory-augmented multi-level cross-attentional masked autoencoder (MemMC-MAE), is a transformer-based approach, consisting of a novel memory-augmented self-attention operator for the encoder and a new multi-level cross-attention operator for the decoder. MemMCMAE masks large parts of the input image during its reconstruction, reducing the risk that it will produce low reconstruction errors because anomalies are likely to be masked and cannot be reconstructed. However, when the anomaly is not masked, then the normal patterns stored in the encoder's memory combined with the decoder's multi-level cross attention will constrain the accurate reconstruction of the anomaly. We show that our method achieves SOTA anomaly detection and localisation on colonoscopy, pneumonia, and covid-19 chest x-ray datasets.

  • 10 authors
·
Mar 22, 2022

Lyra: Orchestrating Dual Correction in Automated Theorem Proving

Large Language Models (LLMs) present an intriguing avenue for exploration in the field of formal theorem proving. Nevertheless, their full potential, particularly concerning the mitigation of hallucinations and refinement through prover error messages, remains an area that has yet to be thoroughly investigated. To enhance the effectiveness of LLMs in the field, we introduce the Lyra, a new framework that employs two distinct correction mechanisms: Tool Correction (TC) and Conjecture Correction (CC). To implement Tool Correction in the post-processing of formal proofs, we leverage prior knowledge to utilize predefined prover tools (e.g., Sledgehammer) for guiding the replacement of incorrect tools. Tool Correction significantly contributes to mitigating hallucinations, thereby improving the overall accuracy of the proof. In addition, we introduce Conjecture Correction, an error feedback mechanism designed to interact with prover to refine formal proof conjectures with prover error messages. Compared to the previous refinement framework, the proposed Conjecture Correction refines generation with instruction but does not collect paired (generation, error & refinement) prompts. Our method has achieved state-of-the-art (SOTA) performance on both miniF2F validation (48.0% -> 55.3%) and test (45.5% -> 51.2%). We also present 3 IMO problems solved by Lyra. We believe Tool Correction (post-process for hallucination mitigation) and Conjecture Correction (subgoal adjustment from interaction with environment) could provide a promising avenue for future research in this field.

  • 9 authors
·
Sep 27, 2023

X-RAY: Mapping LLM Reasoning Capability via Formalized and Calibrated Probes

Large language models (LLMs) achieve promising performance, yet their ability to reason remains poorly understood. Existing evaluations largely emphasize task-level accuracy, often conflating pattern matching with reasoning capability. We present X-RAY, an explainable reasoning analysis system that maps the LLM reasoning capability using calibrated, formally verified probes. We model reasoning capability as a function of extractable structure, operationalized through formal properties such as constraint interaction, reasoning depth, and solution-space geometry. X-Ray generates probes via formal tools with controlled structural variations, enabling precise isolation of incremental structural information through formal calibration and verification. We evaluate state-of-the-art LLMs on problems ranging from junior-level to advanced in mathematics, physics, and chemistry. Our analysis reveals a systematic asymmetry in LLM reasoning: models are relatively robust to constraint refinement, where additional conditions shrink an existing solution space, but degrade sharply under solution-space restructuring, where modifications alter the underlying structural form of the solution manifold. Moreover, calibrated formal probes differentiate models that appear indistinguishable on standard benchmarks and reveal failure modes that are structurally interpretable rather than opaque. Beyond evaluation, our framework is contamination-free and supports the training and testing of reasoning models.

  • 4 authors
·
Mar 4