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Nov 26

GPSToken: Gaussian Parameterized Spatially-adaptive Tokenization for Image Representation and Generation

Effective and efficient tokenization plays an important role in image representation and generation. Conventional methods, constrained by uniform 2D/1D grid tokenization, are inflexible to represent regions with varying shapes and textures and at different locations, limiting their efficacy of feature representation. In this work, we propose GPSToken, a novel Gaussian Parameterized Spatially-adaptive Tokenization framework, to achieve non-uniform image tokenization by leveraging parametric 2D Gaussians to dynamically model the shape, position, and textures of different image regions. We first employ an entropy-driven algorithm to partition the image into texture-homogeneous regions of variable sizes. Then, we parameterize each region as a 2D Gaussian (mean for position, covariance for shape) coupled with texture features. A specialized transformer is trained to optimize the Gaussian parameters, enabling continuous adaptation of position/shape and content-aware feature extraction. During decoding, Gaussian parameterized tokens are reconstructed into 2D feature maps through a differentiable splatting-based renderer, bridging our adaptive tokenization with standard decoders for end-to-end training. GPSToken disentangles spatial layout (Gaussian parameters) from texture features to enable efficient two-stage generation: structural layout synthesis using lightweight networks, followed by structure-conditioned texture generation. Experiments demonstrate the state-of-the-art performance of GPSToken, which achieves rFID and FID scores of 0.65 and 1.50 on image reconstruction and generation tasks using 128 tokens, respectively. Codes and models of GPSToken can be found at https://github.com/xtudbxk/GPSToken{https://github.com/xtudbxk/GPSToken}.

  • 4 authors
·
Sep 1

La-Proteina: Atomistic Protein Generation via Partially Latent Flow Matching

Recently, many generative models for de novo protein structure design have emerged. Yet, only few tackle the difficult task of directly generating fully atomistic structures jointly with the underlying amino acid sequence. This is challenging, for instance, because the model must reason over side chains that change in length during generation. We introduce La-Proteina for atomistic protein design based on a novel partially latent protein representation: coarse backbone structure is modeled explicitly, while sequence and atomistic details are captured via per-residue latent variables of fixed dimensionality, thereby effectively side-stepping challenges of explicit side-chain representations. Flow matching in this partially latent space then models the joint distribution over sequences and full-atom structures. La-Proteina achieves state-of-the-art performance on multiple generation benchmarks, including all-atom co-designability, diversity, and structural validity, as confirmed through detailed structural analyses and evaluations. Notably, La-Proteina also surpasses previous models in atomistic motif scaffolding performance, unlocking critical atomistic structure-conditioned protein design tasks. Moreover, La-Proteina is able to generate co-designable proteins of up to 800 residues, a regime where most baselines collapse and fail to produce valid samples, demonstrating La-Proteina's scalability and robustness.

  • 9 authors
·
Jul 12

Multiscale Structure Guided Diffusion for Image Deblurring

Diffusion Probabilistic Models (DPMs) have recently been employed for image deblurring, formulated as an image-conditioned generation process that maps Gaussian noise to the high-quality image, conditioned on the blurry input. Image-conditioned DPMs (icDPMs) have shown more realistic results than regression-based methods when trained on pairwise in-domain data. However, their robustness in restoring images is unclear when presented with out-of-domain images as they do not impose specific degradation models or intermediate constraints. To this end, we introduce a simple yet effective multiscale structure guidance as an implicit bias that informs the icDPM about the coarse structure of the sharp image at the intermediate layers. This guided formulation leads to a significant improvement of the deblurring results, particularly on unseen domain. The guidance is extracted from the latent space of a regression network trained to predict the clean-sharp target at multiple lower resolutions, thus maintaining the most salient sharp structures. With both the blurry input and multiscale guidance, the icDPM model can better understand the blur and recover the clean image. We evaluate a single-dataset trained model on diverse datasets and demonstrate more robust deblurring results with fewer artifacts on unseen data. Our method outperforms existing baselines, achieving state-of-the-art perceptual quality while keeping competitive distortion metrics.

  • 5 authors
·
Dec 4, 2022

Small Tunes Transformer: Exploring Macro & Micro-Level Hierarchies for Skeleton-Conditioned Melody Generation

Recently, symbolic music generation has become a focus of numerous deep learning research. Structure as an important part of music, contributes to improving the quality of music, and an increasing number of works start to study the hierarchical structure. In this study, we delve into the multi-level structures within music from macro-level and micro-level hierarchies. At the macro-level hierarchy, we conduct phrase segmentation algorithm to explore how phrases influence the overall development of music, and at the micro-level hierarchy, we design skeleton notes extraction strategy to explore how skeleton notes within each phrase guide the melody generation. Furthermore, we propose a novel Phrase-level Cross-Attention mechanism to capture the intrinsic relationship between macro-level hierarchy and micro-level hierarchy. Moreover, in response to the current lack of research on Chinese-style music, we construct our Small Tunes Dataset: a substantial collection of MIDI files comprising 10088 Small Tunes, a category of traditional Chinese Folk Songs. This dataset serves as the focus of our study. We generate Small Tunes songs utilizing the extracted skeleton notes as conditions, and experiment results indicate that our proposed model, Small Tunes Transformer, outperforms other state-of-the-art models. Besides, we design three novel objective evaluation metrics to evaluate music from both rhythm and melody dimensions.

  • 4 authors
·
Oct 11, 2024

DiffSpectra: Molecular Structure Elucidation from Spectra using Diffusion Models

Molecular structure elucidation from spectra is a foundational problem in chemistry, with profound implications for compound identification, synthesis, and drug development. Traditional methods rely heavily on expert interpretation and lack scalability. Pioneering machine learning methods have introduced retrieval-based strategies, but their reliance on finite libraries limits generalization to novel molecules. Generative models offer a promising alternative, yet most adopt autoregressive SMILES-based architectures that overlook 3D geometry and struggle to integrate diverse spectral modalities. In this work, we present DiffSpectra, a generative framework that directly infers both 2D and 3D molecular structures from multi-modal spectral data using diffusion models. DiffSpectra formulates structure elucidation as a conditional generation process. Its denoising network is parameterized by Diffusion Molecule Transformer, an SE(3)-equivariant architecture that integrates topological and geometric information. Conditioning is provided by SpecFormer, a transformer-based spectral encoder that captures intra- and inter-spectral dependencies from multi-modal spectra. Extensive experiments demonstrate that DiffSpectra achieves high accuracy in structure elucidation, recovering exact structures with 16.01% top-1 accuracy and 96.86% top-20 accuracy through sampling. The model benefits significantly from 3D geometric modeling, SpecFormer pre-training, and multi-modal conditioning. These results highlight the effectiveness of spectrum-conditioned diffusion modeling in addressing the challenge of molecular structure elucidation. To our knowledge, DiffSpectra is the first framework to unify multi-modal spectral reasoning and joint 2D/3D generative modeling for de novo molecular structure elucidation.

Multimodal-Conditioned Latent Diffusion Models for Fashion Image Editing

Fashion illustration is a crucial medium for designers to convey their creative vision and transform design concepts into tangible representations that showcase the interplay between clothing and the human body. In the context of fashion design, computer vision techniques have the potential to enhance and streamline the design process. Departing from prior research primarily focused on virtual try-on, this paper tackles the task of multimodal-conditioned fashion image editing. Our approach aims to generate human-centric fashion images guided by multimodal prompts, including text, human body poses, garment sketches, and fabric textures. To address this problem, we propose extending latent diffusion models to incorporate these multiple modalities and modifying the structure of the denoising network, taking multimodal prompts as input. To condition the proposed architecture on fabric textures, we employ textual inversion techniques and let diverse cross-attention layers of the denoising network attend to textual and texture information, thus incorporating different granularity conditioning details. Given the lack of datasets for the task, we extend two existing fashion datasets, Dress Code and VITON-HD, with multimodal annotations. Experimental evaluations demonstrate the effectiveness of our proposed approach in terms of realism and coherence concerning the provided multimodal inputs.

  • 5 authors
·
Mar 21, 2024

Generalized Domain Conditioned Adaptation Network

Domain Adaptation (DA) attempts to transfer knowledge learned in the labeled source domain to the unlabeled but related target domain without requiring large amounts of target supervision. Recent advances in DA mainly proceed by aligning the source and target distributions. Despite the significant success, the adaptation performance still degrades accordingly when the source and target domains encounter a large distribution discrepancy. We consider this limitation may attribute to the insufficient exploration of domain-specialized features because most studies merely concentrate on domain-general feature learning in task-specific layers and integrate totally-shared convolutional networks (convnets) to generate common features for both domains. In this paper, we relax the completely-shared convnets assumption adopted by previous DA methods and propose Domain Conditioned Adaptation Network (DCAN), which introduces domain conditioned channel attention module with a multi-path structure to separately excite channel activation for each domain. Such a partially-shared convnets module allows domain-specialized features in low-level to be explored appropriately. Further, given the knowledge transferability varying along with convolutional layers, we develop Generalized Domain Conditioned Adaptation Network (GDCAN) to automatically determine whether domain channel activations should be separately modeled in each attention module. Afterward, the critical domain-specialized knowledge could be adaptively extracted according to the domain statistic gaps. As far as we know, this is the first work to explore the domain-wise convolutional channel activations separately for deep DA networks. Additionally, to effectively match high-level feature distributions across domains, we consider deploying feature adaptation blocks after task-specific layers, which can explicitly mitigate the domain discrepancy.

  • 6 authors
·
Mar 23, 2021

PepMLM: Target Sequence-Conditioned Generation of Peptide Binders via Masked Language Modeling

Target proteins that lack accessible binding pockets and conformational stability have posed increasing challenges for drug development. Induced proximity strategies, such as PROTACs and molecular glues, have thus gained attention as pharmacological alternatives, but still require small molecule docking at binding pockets for targeted protein degradation (TPD). The computational design of protein-based binders presents unique opportunities to access undruggable targets, but have often relied on stable 3D structures or predictions for effective binder generation. Recently, we have leveraged the expressive latent spaces of protein language models (pLMs) for the prioritization of peptide binders from sequence alone, which we have then fused to E3 ubiquitin ligase domains, creating a CRISPR-analogous TPD system for target proteins. However, our methods rely on training discriminator models for ranking heuristically or unconditionally-derived guide peptides for their target binding capability. In this work, we introduce PepMLM, a purely target sequence-conditioned de novo generator of linear peptide binders. By employing a novel masking strategy that uniquely positions cognate peptide sequences at the terminus of target protein sequences, PepMLM tasks the state-of-the-art ESM-2 pLM to fully reconstruct the binder region, achieving low perplexities matching or improving upon previously-validated peptide-protein sequence pairs. After successful in silico benchmarking with AlphaFold-Multimer, we experimentally verify PepMLM's efficacy via fusion of model-derived peptides to E3 ubiquitin ligase domains, demonstrating endogenous degradation of target substrates in cellular models. In total, PepMLM enables the generative design of candidate binders to any target protein, without the requirement of target structure, empowering downstream programmable proteome editing applications.

  • 13 authors
·
Oct 5, 2023

DiffFashion: Reference-based Fashion Design with Structure-aware Transfer by Diffusion Models

Image-based fashion design with AI techniques has attracted increasing attention in recent years. We focus on a new fashion design task, where we aim to transfer a reference appearance image onto a clothing image while preserving the structure of the clothing image. It is a challenging task since there are no reference images available for the newly designed output fashion images. Although diffusion-based image translation or neural style transfer (NST) has enabled flexible style transfer, it is often difficult to maintain the original structure of the image realistically during the reverse diffusion, especially when the referenced appearance image greatly differs from the common clothing appearance. To tackle this issue, we present a novel diffusion model-based unsupervised structure-aware transfer method to semantically generate new clothes from a given clothing image and a reference appearance image. In specific, we decouple the foreground clothing with automatically generated semantic masks by conditioned labels. And the mask is further used as guidance in the denoising process to preserve the structure information. Moreover, we use the pre-trained vision Transformer (ViT) for both appearance and structure guidance. Our experimental results show that the proposed method outperforms state-of-the-art baseline models, generating more realistic images in the fashion design task. Code and demo can be found at https://github.com/Rem105-210/DiffFashion.

  • 6 authors
·
Feb 13, 2023

Implicit Identity Representation Conditioned Memory Compensation Network for Talking Head video Generation

Talking head video generation aims to animate a human face in a still image with dynamic poses and expressions using motion information derived from a target-driving video, while maintaining the person's identity in the source image. However, dramatic and complex motions in the driving video cause ambiguous generation, because the still source image cannot provide sufficient appearance information for occluded regions or delicate expression variations, which produces severe artifacts and significantly degrades the generation quality. To tackle this problem, we propose to learn a global facial representation space, and design a novel implicit identity representation conditioned memory compensation network, coined as MCNet, for high-fidelity talking head generation.~Specifically, we devise a network module to learn a unified spatial facial meta-memory bank from all training samples, which can provide rich facial structure and appearance priors to compensate warped source facial features for the generation. Furthermore, we propose an effective query mechanism based on implicit identity representations learned from the discrete keypoints of the source image. It can greatly facilitate the retrieval of more correlated information from the memory bank for the compensation. Extensive experiments demonstrate that MCNet can learn representative and complementary facial memory, and can clearly outperform previous state-of-the-art talking head generation methods on VoxCeleb1 and CelebV datasets. Please check our https://github.com/harlanhong/ICCV2023-MCNET{Project}.

  • 2 authors
·
Jul 19, 2023 1

SVDFormer: Complementing Point Cloud via Self-view Augmentation and Self-structure Dual-generator

In this paper, we propose a novel network, SVDFormer, to tackle two specific challenges in point cloud completion: understanding faithful global shapes from incomplete point clouds and generating high-accuracy local structures. Current methods either perceive shape patterns using only 3D coordinates or import extra images with well-calibrated intrinsic parameters to guide the geometry estimation of the missing parts. However, these approaches do not always fully leverage the cross-modal self-structures available for accurate and high-quality point cloud completion. To this end, we first design a Self-view Fusion Network that leverages multiple-view depth image information to observe incomplete self-shape and generate a compact global shape. To reveal highly detailed structures, we then introduce a refinement module, called Self-structure Dual-generator, in which we incorporate learned shape priors and geometric self-similarities for producing new points. By perceiving the incompleteness of each point, the dual-path design disentangles refinement strategies conditioned on the structural type of each point. SVDFormer absorbs the wisdom of self-structures, avoiding any additional paired information such as color images with precisely calibrated camera intrinsic parameters. Comprehensive experiments indicate that our method achieves state-of-the-art performance on widely-used benchmarks. Code will be available at https://github.com/czvvd/SVDFormer.

  • 6 authors
·
Jul 17, 2023

MOVIS: Enhancing Multi-Object Novel View Synthesis for Indoor Scenes

Repurposing pre-trained diffusion models has been proven to be effective for NVS. However, these methods are mostly limited to a single object; directly applying such methods to compositional multi-object scenarios yields inferior results, especially incorrect object placement and inconsistent shape and appearance under novel views. How to enhance and systematically evaluate the cross-view consistency of such models remains under-explored. To address this issue, we propose MOVIS to enhance the structural awareness of the view-conditioned diffusion model for multi-object NVS in terms of model inputs, auxiliary tasks, and training strategy. First, we inject structure-aware features, including depth and object mask, into the denoising U-Net to enhance the model's comprehension of object instances and their spatial relationships. Second, we introduce an auxiliary task requiring the model to simultaneously predict novel view object masks, further improving the model's capability in differentiating and placing objects. Finally, we conduct an in-depth analysis of the diffusion sampling process and carefully devise a structure-guided timestep sampling scheduler during training, which balances the learning of global object placement and fine-grained detail recovery. To systematically evaluate the plausibility of synthesized images, we propose to assess cross-view consistency and novel view object placement alongside existing image-level NVS metrics. Extensive experiments on challenging synthetic and realistic datasets demonstrate that our method exhibits strong generalization capabilities and produces consistent novel view synthesis, highlighting its potential to guide future 3D-aware multi-object NVS tasks.

  • 8 authors
·
Dec 16, 2024 2

Predicting upcoming visual features during eye movements yields scene representations aligned with human visual cortex

Scenes are complex, yet structured collections of parts, including objects and surfaces, that exhibit spatial and semantic relations to one another. An effective visual system therefore needs unified scene representations that relate scene parts to their location and their co-occurrence. We hypothesize that this structure can be learned self-supervised from natural experience by exploiting the temporal regularities of active vision: each fixation reveals a locally-detailed glimpse that is statistically related to the previous one via co-occurrence and saccade-conditioned spatial regularities. We instantiate this idea with Glimpse Prediction Networks (GPNs) -- recurrent models trained to predict the feature embedding of the next glimpse along human-like scanpaths over natural scenes. GPNs successfully learn co-occurrence structure and, when given relative saccade location vectors, show sensitivity to spatial arrangement. Furthermore, recurrent variants of GPNs were able to integrate information across glimpses into a unified scene representation. Notably, these scene representations align strongly with human fMRI responses during natural-scene viewing across mid/high-level visual cortex. Critically, GPNs outperform architecture- and dataset-matched controls trained with explicit semantic objectives, and match or exceed strong modern vision baselines, leaving little unique variance for those alternatives. These results establish next-glimpse prediction during active vision as a biologically plausible, self-supervised route to brain-aligned scene representations learned from natural visual experience.

  • 5 authors
·
Nov 16

EBDM: Exemplar-guided Image Translation with Brownian-bridge Diffusion Models

Exemplar-guided image translation, synthesizing photo-realistic images that conform to both structural control and style exemplars, is attracting attention due to its ability to enhance user control over style manipulation. Previous methodologies have predominantly depended on establishing dense correspondences across cross-domain inputs. Despite these efforts, they incur quadratic memory and computational costs for establishing dense correspondence, resulting in limited versatility and performance degradation. In this paper, we propose a novel approach termed Exemplar-guided Image Translation with Brownian-Bridge Diffusion Models (EBDM). Our method formulates the task as a stochastic Brownian bridge process, a diffusion process with a fixed initial point as structure control and translates into the corresponding photo-realistic image while being conditioned solely on the given exemplar image. To efficiently guide the diffusion process toward the style of exemplar, we delineate three pivotal components: the Global Encoder, the Exemplar Network, and the Exemplar Attention Module to incorporate global and detailed texture information from exemplar images. Leveraging Bridge diffusion, the network can translate images from structure control while exclusively conditioned on the exemplar style, leading to more robust training and inference processes. We illustrate the superiority of our method over competing approaches through comprehensive benchmark evaluations and visual results.

  • 3 authors
·
Oct 13, 2024

Gene Regulatory Network Inference in the Presence of Dropouts: a Causal View

Gene regulatory network inference (GRNI) is a challenging problem, particularly owing to the presence of zeros in single-cell RNA sequencing data: some are biological zeros representing no gene expression, while some others are technical zeros arising from the sequencing procedure (aka dropouts), which may bias GRNI by distorting the joint distribution of the measured gene expressions. Existing approaches typically handle dropout error via imputation, which may introduce spurious relations as the true joint distribution is generally unidentifiable. To tackle this issue, we introduce a causal graphical model to characterize the dropout mechanism, namely, Causal Dropout Model. We provide a simple yet effective theoretical result: interestingly, the conditional independence (CI) relations in the data with dropouts, after deleting the samples with zero values (regardless if technical or not) for the conditioned variables, are asymptotically identical to the CI relations in the original data without dropouts. This particular test-wise deletion procedure, in which we perform CI tests on the samples without zeros for the conditioned variables, can be seamlessly integrated with existing structure learning approaches including constraint-based and greedy score-based methods, thus giving rise to a principled framework for GRNI in the presence of dropouts. We further show that the causal dropout model can be validated from data, and many existing statistical models to handle dropouts fit into our model as specific parametric instances. Empirical evaluation on synthetic, curated, and real-world experimental transcriptomic data comprehensively demonstrate the efficacy of our method.

  • 6 authors
·
Mar 21, 2024

The Superposition of Diffusion Models Using the Itô Density Estimator

The Cambrian explosion of easily accessible pre-trained diffusion models suggests a demand for methods that combine multiple different pre-trained diffusion models without incurring the significant computational burden of re-training a larger combined model. In this paper, we cast the problem of combining multiple pre-trained diffusion models at the generation stage under a novel proposed framework termed superposition. Theoretically, we derive superposition from rigorous first principles stemming from the celebrated continuity equation and design two novel algorithms tailor-made for combining diffusion models in SuperDiff. SuperDiff leverages a new scalable It\^o density estimator for the log likelihood of the diffusion SDE which incurs no additional overhead compared to the well-known Hutchinson's estimator needed for divergence calculations. We demonstrate that SuperDiff is scalable to large pre-trained diffusion models as superposition is performed solely through composition during inference, and also enjoys painless implementation as it combines different pre-trained vector fields through an automated re-weighting scheme. Notably, we show that SuperDiff is efficient during inference time, and mimics traditional composition operators such as the logical OR and the logical AND. We empirically demonstrate the utility of using SuperDiff for generating more diverse images on CIFAR-10, more faithful prompt conditioned image editing using Stable Diffusion, and improved unconditional de novo structure design of proteins. https://github.com/necludov/super-diffusion

  • 5 authors
·
Dec 23, 2024 2

Music Transformer

Music relies heavily on repetition to build structure and meaning. Self-reference occurs on multiple timescales, from motifs to phrases to reusing of entire sections of music, such as in pieces with ABA structure. The Transformer (Vaswani et al., 2017), a sequence model based on self-attention, has achieved compelling results in many generation tasks that require maintaining long-range coherence. This suggests that self-attention might also be well-suited to modeling music. In musical composition and performance, however, relative timing is critically important. Existing approaches for representing relative positional information in the Transformer modulate attention based on pairwise distance (Shaw et al., 2018). This is impractical for long sequences such as musical compositions since their memory complexity for intermediate relative information is quadratic in the sequence length. We propose an algorithm that reduces their intermediate memory requirement to linear in the sequence length. This enables us to demonstrate that a Transformer with our modified relative attention mechanism can generate minute-long compositions (thousands of steps, four times the length modeled in Oore et al., 2018) with compelling structure, generate continuations that coherently elaborate on a given motif, and in a seq2seq setup generate accompaniments conditioned on melodies. We evaluate the Transformer with our relative attention mechanism on two datasets, JSB Chorales and Piano-e-Competition, and obtain state-of-the-art results on the latter.

  • 10 authors
·
Sep 12, 2018

DenseGAP: Graph-Structured Dense Correspondence Learning with Anchor Points

Establishing dense correspondence between two images is a fundamental computer vision problem, which is typically tackled by matching local feature descriptors. However, without global awareness, such local features are often insufficient for disambiguating similar regions. And computing the pairwise feature correlation across images is both computation-expensive and memory-intensive. To make the local features aware of the global context and improve their matching accuracy, we introduce DenseGAP, a new solution for efficient Dense correspondence learning with a Graph-structured neural network conditioned on Anchor Points. Specifically, we first propose a graph structure that utilizes anchor points to provide sparse but reliable prior on inter- and intra-image context and propagates them to all image points via directed edges. We also design a graph-structured network to broadcast multi-level contexts via light-weighted message-passing layers and generate high-resolution feature maps at low memory cost. Finally, based on the predicted feature maps, we introduce a coarse-to-fine framework for accurate correspondence prediction using cycle consistency. Our feature descriptors capture both local and global information, thus enabling a continuous feature field for querying arbitrary points at high resolution. Through comprehensive ablative experiments and evaluations on large-scale indoor and outdoor datasets, we demonstrate that our method advances the state-of-the-art of correspondence learning on most benchmarks.

  • 5 authors
·
Dec 13, 2021

PartCrafter: Structured 3D Mesh Generation via Compositional Latent Diffusion Transformers

We introduce PartCrafter, the first structured 3D generative model that jointly synthesizes multiple semantically meaningful and geometrically distinct 3D meshes from a single RGB image. Unlike existing methods that either produce monolithic 3D shapes or follow two-stage pipelines, i.e., first segmenting an image and then reconstructing each segment, PartCrafter adopts a unified, compositional generation architecture that does not rely on pre-segmented inputs. Conditioned on a single image, it simultaneously denoises multiple 3D parts, enabling end-to-end part-aware generation of both individual objects and complex multi-object scenes. PartCrafter builds upon a pretrained 3D mesh diffusion transformer (DiT) trained on whole objects, inheriting the pretrained weights, encoder, and decoder, and introduces two key innovations: (1) A compositional latent space, where each 3D part is represented by a set of disentangled latent tokens; (2) A hierarchical attention mechanism that enables structured information flow both within individual parts and across all parts, ensuring global coherence while preserving part-level detail during generation. To support part-level supervision, we curate a new dataset by mining part-level annotations from large-scale 3D object datasets. Experiments show that PartCrafter outperforms existing approaches in generating decomposable 3D meshes, including parts that are not directly visible in input images, demonstrating the strength of part-aware generative priors for 3D understanding and synthesis. Code and training data will be released.

  • 7 authors
·
Jun 5 8

GoViG: Goal-Conditioned Visual Navigation Instruction Generation

We introduce Goal-Conditioned Visual Navigation Instruction Generation (GoViG), a new task that aims to autonomously generate precise and contextually coherent navigation instructions solely from egocentric visual observations of initial and goal states. Unlike conventional approaches that rely on structured inputs such as semantic annotations or environmental maps, GoViG exclusively leverages raw egocentric visual data, substantially improving its adaptability to unseen and unstructured environments. Our method addresses this task by decomposing it into two interconnected subtasks: (1) visual forecasting, which predicts intermediate visual states bridging the initial and goal views; and (2) instruction generation, which synthesizes linguistically coherent instructions grounded in both observed and anticipated visuals. These subtasks are integrated within an autoregressive multimodal large language model trained with tailored objectives to ensure spatial accuracy and linguistic clarity. Furthermore, we introduce two complementary multimodal reasoning strategies, one-pass and interleaved reasoning, to mimic incremental human cognitive processes during navigation. To evaluate our method, we propose the R2R-Goal dataset, combining diverse synthetic and real-world trajectories. Empirical results demonstrate significant improvements over state-of-the-art methods, achieving superior BLEU-4 and CIDEr scores along with robust cross-domain generalization.

  • 8 authors
·
Aug 13

Monocular Identity-Conditioned Facial Reflectance Reconstruction

Recent 3D face reconstruction methods have made remarkable advancements, yet there remain huge challenges in monocular high-quality facial reflectance reconstruction. Existing methods rely on a large amount of light-stage captured data to learn facial reflectance models. However, the lack of subject diversity poses challenges in achieving good generalization and widespread applicability. In this paper, we learn the reflectance prior in image space rather than UV space and present a framework named ID2Reflectance. Our framework can directly estimate the reflectance maps of a single image while using limited reflectance data for training. Our key insight is that reflectance data shares facial structures with RGB faces, which enables obtaining expressive facial prior from inexpensive RGB data thus reducing the dependency on reflectance data. We first learn a high-quality prior for facial reflectance. Specifically, we pretrain multi-domain facial feature codebooks and design a codebook fusion method to align the reflectance and RGB domains. Then, we propose an identity-conditioned swapping module that injects facial identity from the target image into the pre-trained autoencoder to modify the identity of the source reflectance image. Finally, we stitch multi-view swapped reflectance images to obtain renderable assets. Extensive experiments demonstrate that our method exhibits excellent generalization capability and achieves state-of-the-art facial reflectance reconstruction results for in-the-wild faces. Our project page is https://xingyuren.github.io/id2reflectance/.

  • 8 authors
·
Mar 30, 2024

Modeling and design of heterogeneous hierarchical bioinspired spider web structures using generative deep learning and additive manufacturing

Spider webs are incredible biological structures, comprising thin but strong silk filament and arranged into complex hierarchical architectures with striking mechanical properties (e.g., lightweight but high strength, achieving diverse mechanical responses). While simple 2D orb webs can easily be mimicked, the modeling and synthesis of 3D-based web structures remain challenging, partly due to the rich set of design features. Here we provide a detailed analysis of the heterogenous graph structures of spider webs, and use deep learning as a way to model and then synthesize artificial, bio-inspired 3D web structures. The generative AI models are conditioned based on key geometric parameters (including average edge length, number of nodes, average node degree, and others). To identify graph construction principles, we use inductive representation sampling of large experimentally determined spider web graphs, to yield a dataset that is used to train three conditional generative models: 1) An analog diffusion model inspired by nonequilibrium thermodynamics, with sparse neighbor representation, 2) a discrete diffusion model with full neighbor representation, and 3) an autoregressive transformer architecture with full neighbor representation. All three models are scalable, produce complex, de novo bio-inspired spider web mimics, and successfully construct graphs that meet the design objectives. We further propose algorithm that assembles web samples produced by the generative models into larger-scale structures based on a series of geometric design targets, including helical and parametric shapes, mimicking, and extending natural design principles towards integration with diverging engineering objectives. Several webs are manufactured using 3D printing and tested to assess mechanical properties.

  • 3 authors
·
Apr 11, 2023

Learning Structured Output Representations from Attributes using Deep Conditional Generative Models

Structured output representation is a generative task explored in computer vision that often times requires the mapping of low dimensional features to high dimensional structured outputs. Losses in complex spatial information in deterministic approaches such as Convolutional Neural Networks (CNN) lead to uncertainties and ambiguous structures within a single output representation. A probabilistic approach through deep Conditional Generative Models (CGM) is presented by Sohn et al. in which a particular model known as the Conditional Variational Auto-encoder (CVAE) is introduced and explored. While the original paper focuses on the task of image segmentation, this paper adopts the CVAE framework for the task of controlled output representation through attributes. This approach allows us to learn a disentangled multimodal prior distribution, resulting in more controlled and robust approach to sample generation. In this work we recreate the CVAE architecture and train it on images conditioned on various attributes obtained from two image datasets; the Large-scale CelebFaces Attributes (CelebA) dataset and the Caltech-UCSD Birds (CUB-200-2011) dataset. We attempt to generate new faces with distinct attributes such as hair color and glasses, as well as different bird species samples with various attributes. We further introduce strategies for improving generalized sample generation by applying a weighted term to the variational lower bound.

  • 1 authors
·
Apr 30, 2023

Don't Waste It: Guiding Generative Recommenders with Structured Human Priors via Multi-head Decoding

Optimizing recommender systems for objectives beyond accuracy, such as diversity, novelty, and personalization, is crucial for long-term user satisfaction. To this end, industrial practitioners have accumulated vast amounts of structured domain knowledge, which we term human priors (e.g., item taxonomies, temporal patterns). This knowledge is typically applied through post-hoc adjustments during ranking or post-ranking. However, this approach remains decoupled from the core model learning, which is particularly undesirable as the industry shifts to end-to-end generative recommendation foundation models. On the other hand, many methods targeting these beyond-accuracy objectives often require architecture-specific modifications and discard these valuable human priors by learning user intent in a fully unsupervised manner. Instead of discarding the human priors accumulated over years of practice, we introduce a backbone-agnostic framework that seamlessly integrates these human priors directly into the end-to-end training of generative recommenders. With lightweight, prior-conditioned adapter heads inspired by efficient LLM decoding strategies, our approach guides the model to disentangle user intent along human-understandable axes (e.g., interaction types, long- vs. short-term interests). We also introduce a hierarchical composition strategy for modeling complex interactions across different prior types. Extensive experiments on three large-scale datasets demonstrate that our method significantly enhances both accuracy and beyond-accuracy objectives. We also show that human priors allow the backbone model to more effectively leverage longer context lengths and larger model sizes.

metaresearch Meta Research
·
Nov 13 2

LimiX: Unleashing Structured-Data Modeling Capability for Generalist Intelligence

We argue that progress toward general intelligence requires complementary foundation models grounded in language, the physical world, and structured data. This report presents LimiX, the first installment of our large structured-data models (LDMs). LimiX treats structured data as a joint distribution over variables and missingness, thus capable of addressing a wide range of tabular tasks through query-based conditional prediction via a single model. LimiX is pretrained using masked joint-distribution modeling with an episodic, context-conditional objective, where the model predicts for query subsets conditioned on dataset-specific contexts, supporting rapid, training-free adaptation at inference. We evaluate LimiX across 10 large structured-data benchmarks with broad regimes of sample size, feature dimensionality, class number, categorical-to-numerical feature ratio, missingness, and sample-to-feature ratios. With a single model and a unified interface, LimiX consistently surpasses strong baselines including gradient-boosting trees, deep tabular networks, recent tabular foundation models, and automated ensembles, as shown in Figure 1 and Figure 2. The superiority holds across a wide range of tasks, such as classification, regression, missing value imputation, and data generation, often by substantial margins, while avoiding task-specific architectures or bespoke training per task. All LimiX models are publicly accessible under Apache 2.0.

  • 38 authors
·
Sep 3

Think2Sing: Orchestrating Structured Motion Subtitles for Singing-Driven 3D Head Animation

Singing-driven 3D head animation is a challenging yet promising task with applications in virtual avatars, entertainment, and education. Unlike speech, singing involves richer emotional nuance, dynamic prosody, and lyric-based semantics, requiring the synthesis of fine-grained, temporally coherent facial motion. Existing speech-driven approaches often produce oversimplified, emotionally flat, and semantically inconsistent results, which are insufficient for singing animation. To address this, we propose Think2Sing, a diffusion-based framework that leverages pretrained large language models to generate semantically coherent and temporally consistent 3D head animations, conditioned on both lyrics and acoustics. A key innovation is the introduction of motion subtitles, an auxiliary semantic representation derived through a novel Singing Chain-of-Thought reasoning process combined with acoustic-guided retrieval. These subtitles contain precise timestamps and region-specific motion descriptions, serving as interpretable motion priors. We frame the task as a motion intensity prediction problem, enabling finer control over facial regions and improving the modeling of expressive motion. To support this, we create a multimodal singing dataset with synchronized video, acoustic descriptors, and motion subtitles, enabling diverse and expressive motion learning. Extensive experiments show that Think2Sing outperforms state-of-the-art methods in realism, expressiveness, and emotional fidelity, while also offering flexible, user-controllable animation editing.

  • 7 authors
·
Sep 2

Option-aware Temporally Abstracted Value for Offline Goal-Conditioned Reinforcement Learning

Offline goal-conditioned reinforcement learning (GCRL) offers a practical learning paradigm where goal-reaching policies are trained from abundant unlabeled (reward-free) datasets without additional environment interaction. However, offline GCRL still struggles with long-horizon tasks, even with recent advances that employ hierarchical policy structures, such as HIQL. By identifying the root cause of this challenge, we observe the following insights: First, performance bottlenecks mainly stem from the high-level policy's inability to generate appropriate subgoals. Second, when learning the high-level policy in the long-horizon regime, the sign of the advantage signal frequently becomes incorrect. Thus, we argue that improving the value function to produce a clear advantage signal for learning the high-level policy is essential. In this paper, we propose a simple yet effective solution: Option-aware Temporally Abstracted value learning, dubbed OTA, which incorporates temporal abstraction into the temporal-difference learning process. By modifying the value update to be option-aware, the proposed learning scheme contracts the effective horizon length, enabling better advantage estimates even in long-horizon regimes. We experimentally show that the high-level policy extracted using the OTA value function achieves strong performance on complex tasks from OGBench, a recently proposed offline GCRL benchmark, including maze navigation and visual robotic manipulation environments.

  • 4 authors
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May 19 2

M3DLayout: A Multi-Source Dataset of 3D Indoor Layouts and Structured Descriptions for 3D Generation

In text-driven 3D scene generation, object layout serves as a crucial intermediate representation that bridges high-level language instructions with detailed geometric output. It not only provides a structural blueprint for ensuring physical plausibility but also supports semantic controllability and interactive editing. However, the learning capabilities of current 3D indoor layout generation models are constrained by the limited scale, diversity, and annotation quality of existing datasets. To address this, we introduce M3DLayout, a large-scale, multi-source dataset for 3D indoor layout generation. M3DLayout comprises 15,080 layouts and over 258k object instances, integrating three distinct sources: real-world scans, professional CAD designs, and procedurally generated scenes. Each layout is paired with detailed structured text describing global scene summaries, relational placements of large furniture, and fine-grained arrangements of smaller items. This diverse and richly annotated resource enables models to learn complex spatial and semantic patterns across a wide variety of indoor environments. To assess the potential of M3DLayout, we establish a benchmark using a text-conditioned diffusion model. Experimental results demonstrate that our dataset provides a solid foundation for training layout generation models. Its multi-source composition enhances diversity, notably through the Inf3DLayout subset which provides rich small-object information, enabling the generation of more complex and detailed scenes. We hope that M3DLayout can serve as a valuable resource for advancing research in text-driven 3D scene synthesis.

  • 7 authors
·
Sep 28

CM3: A Causal Masked Multimodal Model of the Internet

We introduce CM3, a family of causally masked generative models trained over a large corpus of structured multi-modal documents that can contain both text and image tokens. Our new causally masked approach generates tokens left to right while also masking out a small number of long token spans that are generated at the end of the string, instead of their original positions. The casual masking object provides a type of hybrid of the more common causal and masked language models, by enabling full generative modeling while also providing bidirectional context when generating the masked spans. We train causally masked language-image models on large-scale web and Wikipedia articles, where each document contains all of the text, hypertext markup, hyperlinks, and image tokens (from a VQVAE-GAN), provided in the order they appear in the original HTML source (before masking). The resulting CM3 models can generate rich structured, multi-modal outputs while conditioning on arbitrary masked document contexts, and thereby implicitly learn a wide range of text, image, and cross modal tasks. They can be prompted to recover, in a zero-shot fashion, the functionality of models such as DALL-E, GENRE, and HTLM. We set the new state-of-the-art in zero-shot summarization, entity linking, and entity disambiguation while maintaining competitive performance in the fine-tuning setting. We can generate images unconditionally, conditioned on text (like DALL-E) and do captioning all in a zero-shot setting with a single model.

  • 11 authors
·
Jan 19, 2022

Text-Queried Audio Source Separation via Hierarchical Modeling

Target audio source separation with natural language queries presents a promising paradigm for extracting arbitrary audio events through arbitrary text descriptions. Existing methods mainly face two challenges, the difficulty in jointly modeling acoustic-textual alignment and semantic-aware separation within a blindly-learned single-stage architecture, and the reliance on large-scale accurately-labeled training data to compensate for inefficient cross-modal learning and separation. To address these challenges, we propose a hierarchical decomposition framework, HSM-TSS, that decouples the task into global-local semantic-guided feature separation and structure-preserving acoustic reconstruction. Our approach introduces a dual-stage mechanism for semantic separation, operating on distinct global and local semantic feature spaces. We first perform global-semantic separation through a global semantic feature space aligned with text queries. A Q-Audio architecture is employed to align audio and text modalities, serving as pretrained global-semantic encoders. Conditioned on the predicted global feature, we then perform the second-stage local-semantic separation on AudioMAE features that preserve time-frequency structures, followed by acoustic reconstruction. We also propose an instruction processing pipeline to parse arbitrary text queries into structured operations, extraction or removal, coupled with audio descriptions, enabling flexible sound manipulation. Our method achieves state-of-the-art separation performance with data-efficient training while maintaining superior semantic consistency with queries in complex auditory scenes.

  • 5 authors
·
May 27

Experience-Guided Adaptation of Inference-Time Reasoning Strategies

Enabling agentic AI systems to adapt their problem-solving approaches based on post-training interactions remains a fundamental challenge. While systems that update and maintain a memory at inference time have been proposed, existing designs only steer the system by modifying textual input to a language model or agent, which means that they cannot change sampling parameters, remove tools, modify system prompts, or switch between agentic and workflow paradigms. On the other hand, systems that adapt more flexibly require offline optimization and remain static once deployed. We present Experience-Guided Reasoner (EGuR), which generates tailored strategies -- complete computational procedures involving LLM calls, tools, sampling parameters, and control logic -- dynamically at inference time based on accumulated experience. We achieve this using an LLM-based meta-strategy -- a strategy that outputs strategies -- enabling adaptation of all strategy components (prompts, sampling parameters, tool configurations, and control logic). EGuR operates through two components: a Guide generates multiple candidate strategies conditioned on the current problem and structured memory of past experiences, while a Consolidator integrates execution feedback to improve future strategy generation. This produces complete, ready-to-run strategies optimized for each problem, which can be cached, retrieved, and executed as needed without wasting resources. Across five challenging benchmarks (AIME 2025, 3-SAT, and three Big Bench Extra Hard tasks), EGuR achieves up to 14% accuracy improvements over the strongest baselines while reducing computational costs by up to 111x, with both metrics improving as the system gains experience.

RAR: Region-Aware Point Cloud Registration

This paper concerns the research problem of point cloud registration to find the rigid transformation to optimally align the source point set with the target one. Learning robust point cloud registration models with deep neural networks has emerged as a powerful paradigm, offering promising performance in predicting the global geometric transformation for a pair of point sets. Existing methods firstly leverage an encoder to regress a latent shape embedding, which is then decoded into a shape-conditioned transformation via concatenation-based conditioning. However, different regions of a 3D shape vary in their geometric structures which makes it more sense that we have a region-conditioned transformation instead of the shape-conditioned one. In this paper we present a Region-Aware point cloud Registration, denoted as RAR, to predict transformation for pairwise point sets in the self-supervised learning fashion. More specifically, we develop a novel region-aware decoder (RAD) module that is formed with an implicit neural region representation parameterized by neural networks. The implicit neural region representation is learned with a self-supervised 3D shape reconstruction loss without the need for region labels. Consequently, the region-aware decoder (RAD) module guides the training of the region-aware transformation (RAT) module and region-aware weight (RAW) module, which predict the transforms and weights for different regions respectively. The global geometric transformation from source point set to target one is then formed by the weighted fusion of region-aware transforms. Compared to the state-of-the-art approaches, our experiments show that our RAR achieves superior registration performance over various benchmark datasets (e.g. ModelNet40).

  • 2 authors
·
Oct 7, 2021

Unified Generative Adversarial Networks for Controllable Image-to-Image Translation

We propose a unified Generative Adversarial Network (GAN) for controllable image-to-image translation, i.e., transferring an image from a source to a target domain guided by controllable structures. In addition to conditioning on a reference image, we show how the model can generate images conditioned on controllable structures, e.g., class labels, object keypoints, human skeletons, and scene semantic maps. The proposed model consists of a single generator and a discriminator taking a conditional image and the target controllable structure as input. In this way, the conditional image can provide appearance information and the controllable structure can provide the structure information for generating the target result. Moreover, our model learns the image-to-image mapping through three novel losses, i.e., color loss, controllable structure guided cycle-consistency loss, and controllable structure guided self-content preserving loss. Also, we present the Fr\'echet ResNet Distance (FRD) to evaluate the quality of the generated images. Experiments on two challenging image translation tasks, i.e., hand gesture-to-gesture translation and cross-view image translation, show that our model generates convincing results, and significantly outperforms other state-of-the-art methods on both tasks. Meanwhile, the proposed framework is a unified solution, thus it can be applied to solving other controllable structure guided image translation tasks such as landmark guided facial expression translation and keypoint guided person image generation. To the best of our knowledge, we are the first to make one GAN framework work on all such controllable structure guided image translation tasks. Code is available at https://github.com/Ha0Tang/GestureGAN.

  • 3 authors
·
Dec 12, 2019

OmniParser: A Unified Framework for Text Spotting, Key Information Extraction and Table Recognition

Recently, visually-situated text parsing (VsTP) has experienced notable advancements, driven by the increasing demand for automated document understanding and the emergence of Generative Large Language Models (LLMs) capable of processing document-based questions. Various methods have been proposed to address the challenging problem of VsTP. However, due to the diversified targets and heterogeneous schemas, previous works usually design task-specific architectures and objectives for individual tasks, which inadvertently leads to modal isolation and complex workflow. In this paper, we propose a unified paradigm for parsing visually-situated text across diverse scenarios. Specifically, we devise a universal model, called OmniParser, which can simultaneously handle three typical visually-situated text parsing tasks: text spotting, key information extraction, and table recognition. In OmniParser, all tasks share the unified encoder-decoder architecture, the unified objective: point-conditioned text generation, and the unified input & output representation: prompt & structured sequences. Extensive experiments demonstrate that the proposed OmniParser achieves state-of-the-art (SOTA) or highly competitive performances on 7 datasets for the three visually-situated text parsing tasks, despite its unified, concise design. The code is available at https://github.com/AlibabaResearch/AdvancedLiterateMachinery.

  • 9 authors
·
Mar 27, 2024

LLMs Think, But Not In Your Flow: Reasoning-Level Personalization for Black-Box Large Language Models

Large language models (LLMs) have recently achieved impressive performance across a wide range of natural language tasks and are now widely used in real-world applications. Among them, black-box LLMs--served via APIs without access to model internals--are especially dominant due to their scalability and ease of deployment. Despite their strong capabilities, these models typically produce generalized responses that overlook personal preferences and reasoning styles. This has led to growing interest in black-box LLM personalization, which aims to tailor model outputs to user-specific context without modifying model parameters. However, existing approaches primarily focus on response-level personalization, attempting to match final outputs without modeling personal thought process. To address this limitation, we propose RPM, a framework for reasoning-level personalization that aligns the model's reasoning process with a user's personalized logic. RPM first constructs statistical user-specific factors by extracting and grouping response-influential features from user history. It then builds personalized reasoning paths that reflect how these factors are used in context. In the inference stage, RPM retrieves reasoning-aligned examples for new queries via feature-level similarity and performs inference conditioned on the structured factors and retrieved reasoning paths, enabling the model to follow user-specific reasoning trajectories. This reasoning-level personalization enhances both predictive accuracy and interpretability by grounding model outputs in user-specific logic through structured information. Extensive experiments across diverse tasks show that RPM consistently outperforms response-level personalization methods, demonstrating the effectiveness of reasoning-level personalization in black-box LLMs.

  • 5 authors
·
May 27

ReconX: Reconstruct Any Scene from Sparse Views with Video Diffusion Model

Advancements in 3D scene reconstruction have transformed 2D images from the real world into 3D models, producing realistic 3D results from hundreds of input photos. Despite great success in dense-view reconstruction scenarios, rendering a detailed scene from insufficient captured views is still an ill-posed optimization problem, often resulting in artifacts and distortions in unseen areas. In this paper, we propose ReconX, a novel 3D scene reconstruction paradigm that reframes the ambiguous reconstruction challenge as a temporal generation task. The key insight is to unleash the strong generative prior of large pre-trained video diffusion models for sparse-view reconstruction. However, 3D view consistency struggles to be accurately preserved in directly generated video frames from pre-trained models. To address this, given limited input views, the proposed ReconX first constructs a global point cloud and encodes it into a contextual space as the 3D structure condition. Guided by the condition, the video diffusion model then synthesizes video frames that are both detail-preserved and exhibit a high degree of 3D consistency, ensuring the coherence of the scene from various perspectives. Finally, we recover the 3D scene from the generated video through a confidence-aware 3D Gaussian Splatting optimization scheme. Extensive experiments on various real-world datasets show the superiority of our ReconX over state-of-the-art methods in terms of quality and generalizability.

  • 8 authors
·
Aug 29, 2024 2

Towards Scalable and Consistent 3D Editing

3D editing - the task of locally modifying the geometry or appearance of a 3D asset - has wide applications in immersive content creation, digital entertainment, and AR/VR. However, unlike 2D editing, it remains challenging due to the need for cross-view consistency, structural fidelity, and fine-grained controllability. Existing approaches are often slow, prone to geometric distortions, or dependent on manual and accurate 3D masks that are error-prone and impractical. To address these challenges, we advance both the data and model fronts. On the data side, we introduce 3DEditVerse, the largest paired 3D editing benchmark to date, comprising 116,309 high-quality training pairs and 1,500 curated test pairs. Built through complementary pipelines of pose-driven geometric edits and foundation model-guided appearance edits, 3DEditVerse ensures edit locality, multi-view consistency, and semantic alignment. On the model side, we propose 3DEditFormer, a 3D-structure-preserving conditional transformer. By enhancing image-to-3D generation with dual-guidance attention and time-adaptive gating, 3DEditFormer disentangles editable regions from preserved structure, enabling precise and consistent edits without requiring auxiliary 3D masks. Extensive experiments demonstrate that our framework outperforms state-of-the-art baselines both quantitatively and qualitatively, establishing a new standard for practical and scalable 3D editing. Dataset and code will be released. Project: https://www.lv-lab.org/3DEditFormer/

GenAD: Generative End-to-End Autonomous Driving

Directly producing planning results from raw sensors has been a long-desired solution for autonomous driving and has attracted increasing attention recently. Most existing end-to-end autonomous driving methods factorize this problem into perception, motion prediction, and planning. However, we argue that the conventional progressive pipeline still cannot comprehensively model the entire traffic evolution process, e.g., the future interaction between the ego car and other traffic participants and the structural trajectory prior. In this paper, we explore a new paradigm for end-to-end autonomous driving, where the key is to predict how the ego car and the surroundings evolve given past scenes. We propose GenAD, a generative framework that casts autonomous driving into a generative modeling problem. We propose an instance-centric scene tokenizer that first transforms the surrounding scenes into map-aware instance tokens. We then employ a variational autoencoder to learn the future trajectory distribution in a structural latent space for trajectory prior modeling. We further adopt a temporal model to capture the agent and ego movements in the latent space to generate more effective future trajectories. GenAD finally simultaneously performs motion prediction and planning by sampling distributions in the learned structural latent space conditioned on the instance tokens and using the learned temporal model to generate futures. Extensive experiments on the widely used nuScenes benchmark show that the proposed GenAD achieves state-of-the-art performance on vision-centric end-to-end autonomous driving with high efficiency. Code: https://github.com/wzzheng/GenAD.

  • 5 authors
·
Feb 18, 2024

Hierarchical Recurrent Neural Networks for Conditional Melody Generation with Long-term Structure

The rise of deep learning technologies has quickly advanced many fields, including that of generative music systems. There exist a number of systems that allow for the generation of good sounding short snippets, yet, these generated snippets often lack an overarching, longer-term structure. In this work, we propose CM-HRNN: a conditional melody generation model based on a hierarchical recurrent neural network. This model allows us to generate melodies with long-term structures based on given chord accompaniments. We also propose a novel, concise event-based representation to encode musical lead sheets while retaining the notes' relative position within the bar with respect to the musical meter. With this new data representation, the proposed architecture can simultaneously model the rhythmic, as well as the pitch structures in an effective way. Melodies generated by the proposed model were extensively evaluated in quantitative experiments as well as a user study to ensure the musical quality of the output as well as to evaluate if they contain repeating patterns. We also compared the system with the state-of-the-art AttentionRNN. This comparison shows that melodies generated by CM-HRNN contain more repeated patterns (i.e., higher compression ratio) and a lower tonal tension (i.e., more tonally concise). Results from our listening test indicate that CM-HRNN outperforms AttentionRNN in terms of long-term structure and overall rating.

  • 3 authors
·
Feb 19, 2021

World Modeling with Probabilistic Structure Integration

We present Probabilistic Structure Integration (PSI), a system for learning richly controllable and flexibly promptable world models from data. PSI consists of a three-step cycle. The first step, Probabilistic prediction, involves building a probabilistic graphical model Psi of the data, in the form of a random-access autoregressive sequence model. Psi supports a complete set of learned conditional distributions describing the dependence of any variables in the data on any other set of variables. In step 2, Structure extraction, we show how to extract underlying low-dimensional properties in the data, corresponding to a diverse set of meaningful "intermediate structures", in a zero-shot fashion via causal inference on Psi. Step 3, Integration, completes the cycle by converting these structures into new token types that are then continually mixed back into the training diet as conditioning signals and prediction targets. Each such cycle augments the capabilities of Psi, both allowing it to model the underlying data better, and creating new control handles -- akin to an LLM-like universal prompting language. We train an instance of Psi on 1.4 trillion tokens of internet video data; we use it to perform a variety of useful video prediction and understanding inferences; we extract state-of-the-art optical flow, self-supervised depth and object segmentation; and we use these structures to support a full cycle of predictive improvements.

  • 16 authors
·
Sep 10 4

UniGenX: Unified Generation of Sequence and Structure with Autoregressive Diffusion

Unified generation of sequence and structure for scientific data (e.g., materials, molecules, proteins) is a critical task. Existing approaches primarily rely on either autoregressive sequence models or diffusion models, each offering distinct advantages and facing notable limitations. Autoregressive models, such as GPT, Llama, and Phi-4, have demonstrated remarkable success in natural language generation and have been extended to multimodal tasks (e.g., image, video, and audio) using advanced encoders like VQ-VAE to represent complex modalities as discrete sequences. However, their direct application to scientific domains is challenging due to the high precision requirements and the diverse nature of scientific data. On the other hand, diffusion models excel at generating high-dimensional scientific data, such as protein, molecule, and material structures, with remarkable accuracy. Yet, their inability to effectively model sequences limits their potential as general-purpose multimodal foundation models. To address these challenges, we propose UniGenX, a unified framework that combines autoregressive next-token prediction with conditional diffusion models. This integration leverages the strengths of autoregressive models to ease the training of conditional diffusion models, while diffusion-based generative heads enhance the precision of autoregressive predictions. We validate the effectiveness of UniGenX on material and small molecule generation tasks, achieving a significant leap in state-of-the-art performance for material crystal structure prediction and establishing new state-of-the-art results for small molecule structure prediction, de novo design, and conditional generation. Notably, UniGenX demonstrates significant improvements, especially in handling long sequences for complex structures, showcasing its efficacy as a versatile tool for scientific data generation.

  • 25 authors
·
Mar 9

Efficient Conditional Generation on Scale-based Visual Autoregressive Models

Recent advances in autoregressive (AR) models have demonstrated their potential to rival diffusion models in image synthesis. However, for complex spatially-conditioned generation, current AR approaches rely on fine-tuning the pre-trained model, leading to significant training costs. In this paper, we propose the Efficient Control Model (ECM), a plug-and-play framework featuring a lightweight control module that introduces control signals via a distributed architecture. This architecture consists of context-aware attention layers that refine conditional features using real-time generated tokens, and a shared gated feed-forward network (FFN) designed to maximize the utilization of its limited capacity and ensure coherent control feature learning. Furthermore, recognizing the critical role of early-stage generation in determining semantic structure, we introduce an early-centric sampling strategy that prioritizes learning early control sequences. This approach reduces computational cost by lowering the number of training tokens per iteration, while a complementary temperature scheduling during inference compensates for the resulting insufficient training of late-stage tokens. Extensive experiments on scale-based AR models validate that our method achieves high-fidelity and diverse control over image generation, surpassing existing baselines while significantly improving both training and inference efficiency.

  • 3 authors
·
Oct 7

CoCoLIT: ControlNet-Conditioned Latent Image Translation for MRI to Amyloid PET Synthesis

Synthesizing amyloid PET scans from the more widely available and accessible structural MRI modality offers a promising, cost-effective approach for large-scale Alzheimer's Disease (AD) screening. This is motivated by evidence that, while MRI does not directly detect amyloid pathology, it may nonetheless encode information correlated with amyloid deposition that can be uncovered through advanced modeling. However, the high dimensionality and structural complexity of 3D neuroimaging data pose significant challenges for existing MRI-to-PET translation methods. Modeling the cross-modality relationship in a lower-dimensional latent space can simplify the learning task and enable more effective translation. As such, we present CoCoLIT (ControlNet-Conditioned Latent Image Translation), a diffusion-based latent generative framework that incorporates three main innovations: (1) a novel Weighted Image Space Loss (WISL) that improves latent representation learning and synthesis quality; (2) a theoretical and empirical analysis of Latent Average Stabilization (LAS), an existing technique used in similar generative models to enhance inference consistency; and (3) the introduction of ControlNet-based conditioning for MRI-to-PET translation. We evaluate CoCoLIT's performance on publicly available datasets and find that our model significantly outperforms state-of-the-art methods on both image-based and amyloid-related metrics. Notably, in amyloid-positivity classification, CoCoLIT outperforms the second-best method with improvements of +10.5% on the internal dataset and +23.7% on the external dataset. The code and models of our approach are available at https://github.com/brAIn-science/CoCoLIT.

  • 6 authors
·
Aug 2

Solving Football by Exploiting Equilibrium Structure of 2p0s Differential Games with One-Sided Information

For a two-player imperfect-information extensive-form game (IIEFG) with K time steps and a player action space of size U, the game tree complexity is U^{2K}, causing existing IIEFG solvers to struggle with large or infinite (U,K), e.g., differential games with continuous action spaces. To partially address this scalability challenge, we focus on an important class of 2p0s games where the informed player (P1) knows the payoff while the uninformed player (P2) only has a belief over the set of I possible payoffs. Such games encompass a wide range of scenarios in sports, defense, cybersecurity, and finance. We prove that under mild conditions, P1's (resp. P2's) equilibrium strategy at any infostate concentrates on at most I (resp. I+1) action prototypes. When Ill U, this equilibrium structure causes the game tree complexity to collapse to I^K for P1 when P2 plays pure best responses, and (I+1)^K for P2 in a dual game where P1 plays pure best responses. We then show that exploiting this structure in standard learning modes, i.e., model-free multiagent reinforcement learning and model predictive control, is straightforward, leading to significant improvements in learning accuracy and efficiency from SOTA IIEFG solvers. Our demonstration solves a 22-player football game (K=10, U=infty) where the attacking team has to strategically conceal their intention until a critical moment in order to exploit information advantage. Code is available at https://github.com/ghimiremukesh/cams/tree/iclr

  • 4 authors
·
Feb 1

Image Synthesis with Graph Conditioning: CLIP-Guided Diffusion Models for Scene Graphs

Advancements in generative models have sparked significant interest in generating images while adhering to specific structural guidelines. Scene graph to image generation is one such task of generating images which are consistent with the given scene graph. However, the complexity of visual scenes poses a challenge in accurately aligning objects based on specified relations within the scene graph. Existing methods approach this task by first predicting a scene layout and generating images from these layouts using adversarial training. In this work, we introduce a novel approach to generate images from scene graphs which eliminates the need of predicting intermediate layouts. We leverage pre-trained text-to-image diffusion models and CLIP guidance to translate graph knowledge into images. Towards this, we first pre-train our graph encoder to align graph features with CLIP features of corresponding images using a GAN based training. Further, we fuse the graph features with CLIP embedding of object labels present in the given scene graph to create a graph consistent CLIP guided conditioning signal. In the conditioning input, object embeddings provide coarse structure of the image and graph features provide structural alignment based on relationships among objects. Finally, we fine tune a pre-trained diffusion model with the graph consistent conditioning signal with reconstruction and CLIP alignment loss. Elaborate experiments reveal that our method outperforms existing methods on standard benchmarks of COCO-stuff and Visual Genome dataset.

  • 2 authors
·
Jan 25, 2024

DynamiCtrl: Rethinking the Basic Structure and the Role of Text for High-quality Human Image Animation

With diffusion transformer (DiT) excelling in video generation, its use in specific tasks has drawn increasing attention. However, adapting DiT for pose-guided human image animation faces two core challenges: (a) existing U-Net-based pose control methods may be suboptimal for the DiT backbone; and (b) removing text guidance, as in previous approaches, often leads to semantic loss and model degradation. To address these issues, we propose DynamiCtrl, a novel framework for human animation in video DiT architecture. Specifically, we use a shared VAE encoder for human images and driving poses, unifying them into a common latent space, maintaining pose fidelity, and eliminating the need for an expert pose encoder during video denoising. To integrate pose control into the DiT backbone effectively, we propose a novel Pose-adaptive Layer Norm model. It injects normalized pose features into the denoising process via conditioning on visual tokens, enabling seamless and scalable pose control across DiT blocks. Furthermore, to overcome the shortcomings of text removal, we introduce the "Joint-text" paradigm, which preserves the role of text embeddings to provide global semantic context. Through full-attention blocks, image and pose features are aligned with text features, enhancing semantic consistency, leveraging pretrained knowledge, and enabling multi-level control. Experiments verify the superiority of DynamiCtrl on benchmark and self-collected data (e.g., achieving the best LPIPS of 0.166), demonstrating strong character control and high-quality synthesis. The project page is available at https://gulucaptain.github.io/DynamiCtrl/.

  • 8 authors
·
Mar 27

Structure-Preserving Operator Learning

Learning complex dynamics driven by partial differential equations directly from data holds great promise for fast and accurate simulations of complex physical systems. In most cases, this problem can be formulated as an operator learning task, where one aims to learn the operator representing the physics of interest, which entails discretization of the continuous system. However, preserving key continuous properties at the discrete level, such as boundary conditions, and addressing physical systems with complex geometries is challenging for most existing approaches. We introduce a family of operator learning architectures, structure-preserving operator networks (SPONs), that allows to preserve key mathematical and physical properties of the continuous system by leveraging finite element (FE) discretizations of the input-output spaces. SPONs are encode-process-decode architectures that are end-to-end differentiable, where the encoder and decoder follows from the discretizations of the input-output spaces. SPONs can operate on complex geometries, enforce certain boundary conditions exactly, and offer theoretical guarantees. Our framework provides a flexible way of devising structure-preserving architectures tailored to specific applications, and offers an explicit trade-off between performance and efficiency, all thanks to the FE discretization of the input-output spaces. Additionally, we introduce a multigrid-inspired SPON architecture that yields improved performance at higher efficiency. Finally, we release a software to automate the design and training of SPON architectures.

  • 2 authors
·
Oct 1, 2024

STAR: Scale-wise Text-conditioned AutoRegressive image generation

We introduce STAR, a text-to-image model that employs a scale-wise auto-regressive paradigm. Unlike VAR, which is constrained to class-conditioned synthesis for images up to 256times256, STAR enables text-driven image generation up to 1024times1024 through three key designs. First, we introduce a pre-trained text encoder to extract and adopt representations for textual constraints, enhancing details and generalizability. Second, given the inherent structural correlation across different scales, we leverage 2D Rotary Positional Encoding (RoPE) and tweak it into a normalized version, ensuring consistent interpretation of relative positions across token maps and stabilizing the training process. Third, we observe that simultaneously sampling all tokens within a single scale can disrupt inter-token relationships, leading to structural instability, particularly in high-resolution generation. To address this, we propose a novel stable sampling method that incorporates causal relationships into the sampling process, ensuring both rich details and stable structures. Compared to previous diffusion models and auto-regressive models, STAR surpasses existing benchmarks in fidelity, text-image consistency, and aesthetic quality, requiring just 2.21s for 1024times1024 images on A100. This highlights the potential of auto-regressive methods in high-quality image synthesis, offering new directions for the text-to-image generation.

  • 8 authors
·
Jun 15, 2024

Stable Diffusion Reference Only: Image Prompt and Blueprint Jointly Guided Multi-Condition Diffusion Model for Secondary Painting

Stable Diffusion and ControlNet have achieved excellent results in the field of image generation and synthesis. However, due to the granularity and method of its control, the efficiency improvement is limited for professional artistic creations such as comics and animation production whose main work is secondary painting. In the current workflow, fixing characters and image styles often need lengthy text prompts, and even requires further training through TextualInversion, DreamBooth or other methods, which is very complicated and expensive for painters. Therefore, we present a new method in this paper, Stable Diffusion Reference Only, a images-to-image self-supervised model that uses only two types of conditional images for precise control generation to accelerate secondary painting. The first type of conditional image serves as an image prompt, supplying the necessary conceptual and color information for generation. The second type is blueprint image, which controls the visual structure of the generated image. It is natively embedded into the original UNet, eliminating the need for ControlNet. We released all the code for the module and pipeline, and trained a controllable character line art coloring model at https://github.com/aihao2000/stable-diffusion-reference-only, that achieved state-of-the-art results in this field. This verifies the effectiveness of the structure and greatly improves the production efficiency of animations, comics, and fanworks.

  • 2 authors
·
Nov 4, 2023

DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization

Recently, 3D generative models have shown promising performances in structure-based drug design by learning to generate ligands given target binding sites. However, only modeling the target-ligand distribution can hardly fulfill one of the main goals in drug discovery -- designing novel ligands with desired properties, e.g., high binding affinity, easily synthesizable, etc. This challenge becomes particularly pronounced when the target-ligand pairs used for training do not align with these desired properties. Moreover, most existing methods aim at solving de novo design task, while many generative scenarios requiring flexible controllability, such as R-group optimization and scaffold hopping, have received little attention. In this work, we propose DecompOpt, a structure-based molecular optimization method based on a controllable and decomposed diffusion model. DecompOpt presents a new generation paradigm which combines optimization with conditional diffusion models to achieve desired properties while adhering to the molecular grammar. Additionally, DecompOpt offers a unified framework covering both de novo design and controllable generation. To achieve so, ligands are decomposed into substructures which allows fine-grained control and local optimization. Experiments show that DecompOpt can efficiently generate molecules with improved properties than strong de novo baselines, and demonstrate great potential in controllable generation tasks.

  • 6 authors
·
Mar 6, 2024

Bridging the Data Gap: Spatially Conditioned Diffusion Model for Anomaly Generation in Photovoltaic Electroluminescence Images

Reliable anomaly detection in photovoltaic (PV) modules is critical for maintaining solar energy efficiency. However, developing robust computer vision models for PV inspection is constrained by the scarcity of large-scale, diverse, and balanced datasets. This study introduces PV-DDPM, a spatially conditioned denoising diffusion probabilistic model that generates anomalous electroluminescence (EL) images across four PV cell types: multi-crystalline silicon (multi-c-Si), mono-crystalline silicon (mono-c-Si), half-cut multi-c-Si, and interdigitated back contact (IBC) with dogbone interconnect. PV-DDPM enables controlled synthesis of single-defect and multi-defect scenarios by conditioning on binary masks representing structural features and defect positions. To the best of our knowledge, this is the first framework that jointly models multiple PV cell types while supporting simultaneous generation of diverse anomaly types. We also introduce E-SCDD, an enhanced version of the SCDD dataset, comprising 1,000 pixel-wise annotated EL images spanning 30 semantic classes, and 1,768 unlabeled synthetic samples. Quantitative evaluation shows our generated images achieve a Fréchet Inception Distance (FID) of 4.10 and Kernel Inception Distance (KID) of 0.0023 pm 0.0007 across all categories. Training the vision--language anomaly detection model AA-CLIP on E-SCDD, compared to the SCDD dataset, improves pixel-level AUC and average precision by 1.70 and 8.34 points, respectively.

  • 6 authors
·
Nov 12

Quaternion Wavelet-Conditioned Diffusion Models for Image Super-Resolution

Image Super-Resolution is a fundamental problem in computer vision with broad applications spacing from medical imaging to satellite analysis. The ability to reconstruct high-resolution images from low-resolution inputs is crucial for enhancing downstream tasks such as object detection and segmentation. While deep learning has significantly advanced SR, achieving high-quality reconstructions with fine-grained details and realistic textures remains challenging, particularly at high upscaling factors. Recent approaches leveraging diffusion models have demonstrated promising results, yet they often struggle to balance perceptual quality with structural fidelity. In this work, we introduce ResQu a novel SR framework that integrates a quaternion wavelet preprocessing framework with latent diffusion models, incorporating a new quaternion wavelet- and time-aware encoder. Unlike prior methods that simply apply wavelet transforms within diffusion models, our approach enhances the conditioning process by exploiting quaternion wavelet embeddings, which are dynamically integrated at different stages of denoising. Furthermore, we also leverage the generative priors of foundation models such as Stable Diffusion. Extensive experiments on domain-specific datasets demonstrate that our method achieves outstanding SR results, outperforming in many cases existing approaches in perceptual quality and standard evaluation metrics. The code will be available after the revision process.

  • 4 authors
·
May 1

HandRefiner: Refining Malformed Hands in Generated Images by Diffusion-based Conditional Inpainting

Diffusion models have achieved remarkable success in generating realistic images but suffer from generating accurate human hands, such as incorrect finger counts or irregular shapes. This difficulty arises from the complex task of learning the physical structure and pose of hands from training images, which involves extensive deformations and occlusions. For correct hand generation, our paper introduces a lightweight post-processing solution called HandRefiner. HandRefiner employs a conditional inpainting approach to rectify malformed hands while leaving other parts of the image untouched. We leverage the hand mesh reconstruction model that consistently adheres to the correct number of fingers and hand shape, while also being capable of fitting the desired hand pose in the generated image. Given a generated failed image due to malformed hands, we utilize ControlNet modules to re-inject such correct hand information. Additionally, we uncover a phase transition phenomenon within ControlNet as we vary the control strength. It enables us to take advantage of more readily available synthetic data without suffering from the domain gap between realistic and synthetic hands. Experiments demonstrate that HandRefiner can significantly improve the generation quality quantitatively and qualitatively. The code is available at https://github.com/wenquanlu/HandRefiner .

  • 5 authors
·
Nov 29, 2023

Conditional Graph Information Bottleneck for Molecular Relational Learning

Molecular relational learning, whose goal is to learn the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. Recently, graph neural networks have recently shown great success in molecular relational learning by modeling a molecule as a graph structure, and considering atom-level interactions between two molecules. Despite their success, existing molecular relational learning methods tend to overlook the nature of chemistry, i.e., a chemical compound is composed of multiple substructures such as functional groups that cause distinctive chemical reactions. In this work, we propose a novel relational learning framework, called CGIB, that predicts the interaction behavior between a pair of graphs by detecting core subgraphs therein. The main idea is, given a pair of graphs, to find a subgraph from a graph that contains the minimal sufficient information regarding the task at hand conditioned on the paired graph based on the principle of conditional graph information bottleneck. We argue that our proposed method mimics the nature of chemical reactions, i.e., the core substructure of a molecule varies depending on which other molecule it interacts with. Extensive experiments on various tasks with real-world datasets demonstrate the superiority of CGIB over state-of-the-art baselines. Our code is available at https://github.com/Namkyeong/CGIB.

  • 6 authors
·
Apr 28, 2023

DISPROTBENCH: A Disorder-Aware, Task-Rich Benchmark for Evaluating Protein Structure Prediction in Realistic Biological Contexts

Recent advances in protein structure prediction have achieved near-atomic accuracy for well-folded proteins. However, current benchmarks inadequately assess model performance in biologically challenging contexts, especially those involving intrinsically disordered regions (IDRs), limiting their utility in applications such as drug discovery, disease variant interpretation, and protein interface design. We introduce DisProtBench, a comprehensive benchmark for evaluating protein structure prediction models (PSPMs) under structural disorder and complex biological conditions. DisProtBench spans three key axes: (1) Data complexity, covering disordered regions, G protein-coupled receptor (GPCR) ligand pairs, and multimeric complexes; (2) Task diversity, benchmarking twelve leading PSPMs across structure-based tasks with unified classification, regression, and interface metrics; and (3) Interpretability, via the DisProtBench Portal, which provides precomputed 3D structures and visual error analyses. Our results reveal significant variability in model robustness under disorder, with low-confidence regions linked to functional prediction failures. Notably, global accuracy metrics often fail to predict task performance in disordered settings, emphasizing the need for function-aware evaluation. DisProtBench establishes a reproducible, extensible, and biologically grounded framework for assessing next-generation PSPMs in realistic biomedical scenarios.

  • 9 authors
·
Jun 18

Customizing Spider Silk: Generative Models with Mechanical Property Conditioning for Protein Engineering

The remarkable mechanical properties of spider silk, including its tensile strength and extensibility, are primarily governed by the repetitive regions of the proteins that constitute the fiber, the major ampullate spidroins (MaSps). However, establishing correlations between mechanical characteristics and repeat sequences is challenging due to the intricate sequence-structure-function relationships of MaSps and the limited availability of annotated datasets. In this study, we present a novel computational framework for designing MaSp repeat sequences with customizable mechanical properties. To achieve this, we developed a lightweight GPT-based generative model by distilling the pre-trained ProtGPT2 protein language model. The distilled model was subjected to multilevel fine-tuning using curated subsets of the Spider Silkome dataset. Specifically, we adapt the model for MaSp repeat generation using 6,000 MaSp repeat sequences and further refine it with 572 repeats associated with experimentally determined fiber-level mechanical properties. Our model generates biologically plausible MaSp repeat regions tailored to specific mechanical properties while also predicting those properties for given sequences. Validation includes sequence-level analysis, assessing physicochemical attributes and expected distribution of key motifs as well as secondary structure compositions. A correlation study using BLAST on the Spider Silkome dataset and a test set of MaSp repeats with known mechanical properties further confirmed the predictive accuracy of the model. This framework advances the rational design of spider silk-inspired biomaterials, offering a versatile tool for engineering protein sequences with tailored mechanical attributes.

  • 6 authors
·
Apr 11

Causal de Finetti: On the Identification of Invariant Causal Structure in Exchangeable Data

Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.

  • 4 authors
·
Mar 29, 2022

Towards generalizable single-cell perturbation modeling via the Conditional Monge Gap

Learning the response of single-cells to various treatments offers great potential to enable targeted therapies. In this context, neural optimal transport (OT) has emerged as a principled methodological framework because it inherently accommodates the challenges of unpaired data induced by cell destruction during data acquisition. However, most existing OT approaches are incapable of conditioning on different treatment contexts (e.g., time, drug treatment, drug dosage, or cell type) and we still lack methods that unanimously show promising generalization performance to unseen treatments. Here, we propose the Conditional Monge Gap which learns OT maps conditionally on arbitrary covariates. We demonstrate its value in predicting single-cell perturbation responses conditional to one or multiple drugs, a drug dosage, or combinations thereof. We find that our conditional models achieve results comparable and sometimes even superior to the condition-specific state-of-the-art on scRNA-seq as well as multiplexed protein imaging data. Notably, by aggregating data across conditions we perform cross-task learning which unlocks remarkable generalization abilities to unseen drugs or drug dosages, widely outperforming other conditional models in capturing heterogeneity (i.e., higher moments) in the perturbed population. Finally, by scaling to hundreds of conditions and testing on unseen drugs, we narrow the gap between structure-based and effect-based drug representations, suggesting a promising path to the successful prediction of perturbation effects for unseen treatments.

  • 4 authors
·
Apr 11

MulModSeg: Enhancing Unpaired Multi-Modal Medical Image Segmentation with Modality-Conditioned Text Embedding and Alternating Training

In the diverse field of medical imaging, automatic segmentation has numerous applications and must handle a wide variety of input domains, such as different types of Computed Tomography (CT) scans and Magnetic Resonance (MR) images. This heterogeneity challenges automatic segmentation algorithms to maintain consistent performance across different modalities due to the requirement for spatially aligned and paired images. Typically, segmentation models are trained using a single modality, which limits their ability to generalize to other types of input data without employing transfer learning techniques. Additionally, leveraging complementary information from different modalities to enhance segmentation precision often necessitates substantial modifications to popular encoder-decoder designs, such as introducing multiple branched encoding or decoding paths for each modality. In this work, we propose a simple Multi-Modal Segmentation (MulModSeg) strategy to enhance medical image segmentation across multiple modalities, specifically CT and MR. It incorporates two key designs: a modality-conditioned text embedding framework via a frozen text encoder that adds modality awareness to existing segmentation frameworks without significant structural modifications or computational overhead, and an alternating training procedure that facilitates the integration of essential features from unpaired CT and MR inputs. Through extensive experiments with both Fully Convolutional Network and Transformer-based backbones, MulModSeg consistently outperforms previous methods in segmenting abdominal multi-organ and cardiac substructures for both CT and MR modalities. The code is available in this {https://github.com/ChengyinLee/MulModSeg_2024{link}}.

  • 8 authors
·
Nov 23, 2024

Analyzing black-hole ringdowns II: data conditioning

Time series data from observations of black hole ringdown gravitational waves are often analyzed in the time domain by using damped sinusoid models with acyclic boundary conditions. Data conditioning operations, including downsampling, filtering, and the choice of data segment duration, reduce the computational cost of such analyses and can improve numerical stability. Here we analyze simulated damped sinsuoid signals to illustrate how data conditioning operations, if not carefully applied, can undesirably alter the analysis' posterior distributions. We discuss how currently implemented downsampling and filtering methods, if applied too aggressively, can introduce systematic errors and skew tests of general relativity. These issues arise because current downsampling and filtering methods do not operate identically on the data and model. Alternative downsampling and filtering methods which identically operate on the data and model may be achievable, but we argue that the current operations can still be implemented safely. We also show that our preferred anti-alias filtering technique, which has an instantaneous frequency-domain response at its roll-off frequency, preserves the structure of posterior distributions better than other commonly used filters with transient frequency-domain responses. Lastly, we highlight that exceptionally long data segments may need to be analyzed in cases where thin lines in the noise power spectral density overlap with central signal frequencies. Our findings may be broadly applicable to any analysis of truncated time domain data with acyclic boundary conditions.

  • 3 authors
·
Oct 3, 2024

DySpec: Faster Speculative Decoding with Dynamic Token Tree Structure

While speculative decoding has recently appeared as a promising direction for accelerating the inference of large language models (LLMs), the speedup and scalability are strongly bounded by the token acceptance rate. Prevalent methods usually organize predicted tokens as independent chains or fixed token trees, which fails to generalize to diverse query distributions. In this paper, we propose DySpec, a faster speculative decoding algorithm with a novel dynamic token tree structure. We begin by bridging the draft distribution and acceptance rate from intuitive and empirical clues, and successfully show that the two variables are strongly correlated. Based on this, we employ a greedy strategy to dynamically expand the token tree at run time. Theoretically, we show that our method can achieve optimal results under mild assumptions. Empirically, DySpec yields a higher acceptance rate and speedup than fixed trees. DySpec can drastically improve the throughput and reduce the latency of token generation across various data distribution and model sizes, which significantly outperforms strong competitors, including Specinfer and Sequoia. Under low temperature setting, DySpec can improve the throughput up to 9.1times and reduce the latency up to 9.4times on Llama2-70B. Under high temperature setting, DySpec can also improve the throughput up to 6.21times, despite the increasing difficulty of speculating more than one token per step for draft model.

  • 5 authors
·
Oct 15, 2024

Multi-Type-TD-TSR -- Extracting Tables from Document Images using a Multi-stage Pipeline for Table Detection and Table Structure Recognition: from OCR to Structured Table Representations

As global trends are shifting towards data-driven industries, the demand for automated algorithms that can convert digital images of scanned documents into machine readable information is rapidly growing. Besides the opportunity of data digitization for the application of data analytic tools, there is also a massive improvement towards automation of processes, which previously would require manual inspection of the documents. Although the introduction of optical character recognition technologies mostly solved the task of converting human-readable characters from images into machine-readable characters, the task of extracting table semantics has been less focused on over the years. The recognition of tables consists of two main tasks, namely table detection and table structure recognition. Most prior work on this problem focuses on either task without offering an end-to-end solution or paying attention to real application conditions like rotated images or noise artefacts inside the document image. Recent work shows a clear trend towards deep learning approaches coupled with the use of transfer learning for the task of table structure recognition due to the lack of sufficiently large datasets. In this paper we present a multistage pipeline named Multi-Type-TD-TSR, which offers an end-to-end solution for the problem of table recognition. It utilizes state-of-the-art deep learning models for table detection and differentiates between 3 different types of tables based on the tables' borders. For the table structure recognition we use a deterministic non-data driven algorithm, which works on all table types. We additionally present two algorithms. One for unbordered tables and one for bordered tables, which are the base of the used table structure recognition algorithm. We evaluate Multi-Type-TD-TSR on the ICDAR 2019 table structure recognition dataset and achieve a new state-of-the-art.

  • 4 authors
·
May 23, 2021

GuideSR: Rethinking Guidance for One-Step High-Fidelity Diffusion-Based Super-Resolution

In this paper, we propose GuideSR, a novel single-step diffusion-based image super-resolution (SR) model specifically designed to enhance image fidelity. Existing diffusion-based SR approaches typically adapt pre-trained generative models to image restoration tasks by adding extra conditioning on a VAE-downsampled representation of the degraded input, which often compromises structural fidelity. GuideSR addresses this limitation by introducing a dual-branch architecture comprising: (1) a Guidance Branch that preserves high-fidelity structures from the original-resolution degraded input, and (2) a Diffusion Branch, which a pre-trained latent diffusion model to enhance perceptual quality. Unlike conventional conditioning mechanisms, our Guidance Branch features a tailored structure for image restoration tasks, combining Full Resolution Blocks (FRBs) with channel attention and an Image Guidance Network (IGN) with guided attention. By embedding detailed structural information directly into the restoration pipeline, GuideSR produces sharper and more visually consistent results. Extensive experiments on benchmark datasets demonstrate that GuideSR achieves state-of-the-art performance while maintaining the low computational cost of single-step approaches, with up to 1.39dB PSNR gain on challenging real-world datasets. Our approach consistently outperforms existing methods across various reference-based metrics including PSNR, SSIM, LPIPS, DISTS and FID, further representing a practical advancement for real-world image restoration.

  • 6 authors
·
May 1

MedScore: Generalizable Factuality Evaluation of Free-Form Medical Answers by Domain-adapted Claim Decomposition and Verification

While Large Language Models (LLMs) can generate fluent and convincing responses, they are not necessarily correct. This is especially apparent in the popular decompose-then-verify factuality evaluation pipeline, where LLMs evaluate generations by decomposing the generations into individual, valid claims. Factuality evaluation is especially important for medical answers, since incorrect medical information could seriously harm the patient. However, existing factuality systems are a poor match for the medical domain, as they are typically only evaluated on objective, entity-centric, formulaic texts such as biographies and historical topics. This differs from condition-dependent, conversational, hypothetical, sentence-structure diverse, and subjective medical answers, which makes decomposition into valid facts challenging. We propose MedScore, a new pipeline to decompose medical answers into condition-aware valid facts and verify against in-domain corpora. Our method extracts up to three times more valid facts than existing methods, reducing hallucination and vague references, and retaining condition-dependency in facts. The resulting factuality score substantially varies by decomposition method, verification corpus, and used backbone LLM, highlighting the importance of customizing each step for reliable factuality evaluation by using our generalizable and modularized pipeline for domain adaptation.

From Local Cues to Global Percepts: Emergent Gestalt Organization in Self-Supervised Vision Models

Human vision organizes local cues into coherent global forms using Gestalt principles like closure, proximity, and figure-ground assignment -- functions reliant on global spatial structure. We investigate whether modern vision models show similar behaviors, and under what training conditions these emerge. We find that Vision Transformers (ViTs) trained with Masked Autoencoding (MAE) exhibit activation patterns consistent with Gestalt laws, including illusory contour completion, convexity preference, and dynamic figure-ground segregation. To probe the computational basis, we hypothesize that modeling global dependencies is necessary for Gestalt-like organization. We introduce the Distorted Spatial Relationship Testbench (DiSRT), which evaluates sensitivity to global spatial perturbations while preserving local textures. Using DiSRT, we show that self-supervised models (e.g., MAE, CLIP) outperform supervised baselines and sometimes even exceed human performance. ConvNeXt models trained with MAE also exhibit Gestalt-compatible representations, suggesting such sensitivity can arise without attention architectures. However, classification finetuning degrades this ability. Inspired by biological vision, we show that a Top-K activation sparsity mechanism can restore global sensitivity. Our findings identify training conditions that promote or suppress Gestalt-like perception and establish DiSRT as a diagnostic for global structure sensitivity across models.

  • 6 authors
·
May 31

Adapting Diffusion Models for Improved Prompt Compliance and Controllable Image Synthesis

Recent advances in generative modeling with diffusion processes (DPs) enabled breakthroughs in image synthesis. Despite impressive image quality, these models have various prompt compliance problems, including low recall in generating multiple objects, difficulty in generating text in images, and meeting constraints like object locations and pose. For fine-grained editing and manipulation, they also require fine-grained semantic or instance maps that are tedious to produce manually. While prompt compliance can be enhanced by addition of loss functions at inference, this is time consuming and does not scale to complex scenes. To overcome these limitations, this work introduces a new family of Factor Graph Diffusion Models (FG-DMs) that models the joint distribution of images and conditioning variables, such as semantic, sketch, depth or normal maps via a factor graph decomposition. This joint structure has several advantages, including support for efficient sampling based prompt compliance schemes, which produce images of high object recall, semi-automated fine-grained editing, text-based editing of conditions with noise inversion, explainability at intermediate levels, ability to produce labeled datasets for the training of downstream models such as segmentation or depth, training with missing data, and continual learning where new conditioning variables can be added with minimal or no modifications to the existing structure. We propose an implementation of FG-DMs by adapting a pre-trained Stable Diffusion (SD) model to implement all FG-DM factors, using only COCO dataset, and show that it is effective in generating images with 15\% higher recall than SD while retaining its generalization ability. We introduce an attention distillation loss that encourages consistency among the attention maps of all factors, improving the fidelity of the generated conditions and image.

  • 4 authors
·
Oct 28, 2024

Causal Discovery in Astrophysics: Unraveling Supermassive Black Hole and Galaxy Coevolution

Correlation does not imply causation, but patterns of statistical association between variables can be exploited to infer a causal structure (even with purely observational data) with the burgeoning field of causal discovery. As a purely observational science, astrophysics has much to gain by exploiting these new methods. The supermassive black hole (SMBH)--galaxy interaction has long been constrained by observed scaling relations, that is low-scatter correlations between variables such as SMBH mass and the central velocity dispersion of stars in a host galaxy's bulge. This study, using advanced causal discovery techniques and an up-to-date dataset, reveals a causal link between galaxy properties and dynamically-measured SMBH masses. We apply a score-based Bayesian framework to compute the exact conditional probabilities of every causal structure that could possibly describe our galaxy sample. With the exact posterior distribution, we determine the most likely causal structures and notice a probable causal reversal when separating galaxies by morphology. In elliptical galaxies, bulge properties (built from major mergers) tend to influence SMBH growth, while in spiral galaxies, SMBHs are seen to affect host galaxy properties, potentially through feedback in gas-rich environments. For spiral galaxies, SMBHs progressively quench star formation, whereas in elliptical galaxies, quenching is complete, and the causal connection has reversed. Our findings support theoretical models of hierarchical assembly of galaxies and active galactic nuclei feedback regulating galaxy evolution. Our study suggests the potentiality for further exploration of causal links in astrophysical and cosmological scaling relations, as well as any other observational science.

  • 12 authors
·
Oct 1, 2024

CSTS: A Benchmark for the Discovery of Correlation Structures in Time Series Clustering

Time series clustering promises to uncover hidden structural patterns in data with applications across healthcare, finance, industrial systems, and other critical domains. However, without validated ground truth information, researchers cannot objectively assess clustering quality or determine whether poor results stem from absent structures in the data, algorithmic limitations, or inappropriate validation methods, raising the question whether clustering is "more art than science" (Guyon et al., 2009). To address these challenges, we introduce CSTS (Correlation Structures in Time Series), a synthetic benchmark for evaluating the discovery of correlation structures in multivariate time series data. CSTS provides a clean benchmark that enables researchers to isolate and identify specific causes of clustering failures by differentiating between correlation structure deterioration and limitations of clustering algorithms and validation methods. Our contributions are: (1) a comprehensive benchmark for correlation structure discovery with distinct correlation structures, systematically varied data conditions, established performance thresholds, and recommended evaluation protocols; (2) empirical validation of correlation structure preservation showing moderate distortion from downsampling and minimal effects from distribution shifts and sparsification; and (3) an extensible data generation framework enabling structure-first clustering evaluation. A case study demonstrates CSTS's practical utility by identifying an algorithm's previously undocumented sensitivity to non-normal distributions, illustrating how the benchmark enables precise diagnosis of methodological limitations. CSTS advances rigorous evaluation standards for correlation-based time series clustering.

  • 4 authors
·
May 20

PULASki: Learning inter-rater variability using statistical distances to improve probabilistic segmentation

In the domain of medical imaging, many supervised learning based methods for segmentation face several challenges such as high variability in annotations from multiple experts, paucity of labelled data and class imbalanced datasets. These issues may result in segmentations that lack the requisite precision for clinical analysis and can be misleadingly overconfident without associated uncertainty quantification. We propose the PULASki for biomedical image segmentation that accurately captures variability in expert annotations, even in small datasets. Our approach makes use of an improved loss function based on statistical distances in a conditional variational autoencoder structure (Probabilistic UNet), which improves learning of the conditional decoder compared to the standard cross-entropy particularly in class imbalanced problems. We analyse our method for two structurally different segmentation tasks (intracranial vessel and multiple sclerosis (MS) lesion) and compare our results to four well-established baselines in terms of quantitative metrics and qualitative output. Empirical results demonstrate the PULASKi method outperforms all baselines at the 5\% significance level. The generated segmentations are shown to be much more anatomically plausible than in the 2D case, particularly for the vessel task. Our method can also be applied to a wide range of multi-label segmentation tasks and and is useful for downstream tasks such as hemodynamic modelling (computational fluid dynamics and data assimilation), clinical decision making, and treatment planning.

  • 8 authors
·
Dec 25, 2023

Scalable Diffusion for Materials Generation

Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials. Traditionally, models with explicit structures (e.g., graphs) have been used in modeling structural relationships in scientific data (e.g., atoms and bonds in crystals), but generating structures can be difficult to scale to large and complex systems. Another challenge in generating materials is the mismatch between standard generative modeling metrics and downstream applications. For instance, common metrics such as the reconstruction error do not correlate well with the downstream goal of discovering stable materials. In this work, we tackle the scalability challenge by developing a unified crystal representation that can represent any crystal structure (UniMat), followed by training a diffusion probabilistic model on these UniMat representations. Our empirical results suggest that despite the lack of explicit structure modeling, UniMat can generate high fidelity crystal structures from larger and more complex chemical systems, outperforming previous graph-based approaches under various generative modeling metrics. To better connect the generation quality of materials to downstream applications, such as discovering novel stable materials, we propose additional metrics for evaluating generative models of materials, including per-composition formation energy and stability with respect to convex hulls through decomposition energy from Density Function Theory (DFT). Lastly, we show that conditional generation with UniMat can scale to previously established crystal datasets with up to millions of crystals structures, outperforming random structure search (the current leading method for structure discovery) in discovering new stable materials.

  • 7 authors
·
Oct 18, 2023

DPLM-2: A Multimodal Diffusion Protein Language Model

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates a multimodal approach to simultaneously model, understand, and generate both sequences and structures. However, existing methods typically use separate models for each modality, limiting their ability to capture the intricate relationships between sequence and structure. This results in suboptimal performance in tasks that requires joint understanding and generation of both modalities. In this paper, we introduce DPLM-2, a multimodal protein foundation model that extends discrete diffusion protein language model (DPLM) to accommodate both sequences and structures. To enable structural learning with the language model, 3D coordinates are converted to discrete tokens using a lookup-free quantization-based tokenizer. By training on both experimental and high-quality synthetic structures, DPLM-2 learns the joint distribution of sequence and structure, as well as their marginals and conditionals. We also implement an efficient warm-up strategy to exploit the connection between large-scale evolutionary data and structural inductive biases from pre-trained sequence-based protein language models. Empirical evaluation shows that DPLM-2 can simultaneously generate highly compatible amino acid sequences and their corresponding 3D structures eliminating the need for a two-stage generation approach. Moreover, DPLM-2 demonstrates competitive performance in various conditional generation tasks, including folding, inverse folding, and scaffolding with multimodal motif inputs, as well as providing structure-aware representations for predictive tasks.

  • 6 authors
·
Oct 17, 2024 3

FlexiAct: Towards Flexible Action Control in Heterogeneous Scenarios

Action customization involves generating videos where the subject performs actions dictated by input control signals. Current methods use pose-guided or global motion customization but are limited by strict constraints on spatial structure, such as layout, skeleton, and viewpoint consistency, reducing adaptability across diverse subjects and scenarios. To overcome these limitations, we propose FlexiAct, which transfers actions from a reference video to an arbitrary target image. Unlike existing methods, FlexiAct allows for variations in layout, viewpoint, and skeletal structure between the subject of the reference video and the target image, while maintaining identity consistency. Achieving this requires precise action control, spatial structure adaptation, and consistency preservation. To this end, we introduce RefAdapter, a lightweight image-conditioned adapter that excels in spatial adaptation and consistency preservation, surpassing existing methods in balancing appearance consistency and structural flexibility. Additionally, based on our observations, the denoising process exhibits varying levels of attention to motion (low frequency) and appearance details (high frequency) at different timesteps. So we propose FAE (Frequency-aware Action Extraction), which, unlike existing methods that rely on separate spatial-temporal architectures, directly achieves action extraction during the denoising process. Experiments demonstrate that our method effectively transfers actions to subjects with diverse layouts, skeletons, and viewpoints. We release our code and model weights to support further research at https://shiyi-zh0408.github.io/projectpages/FlexiAct/

  • 5 authors
·
May 6 1

MRS: A Fast Sampler for Mean Reverting Diffusion based on ODE and SDE Solvers

In applications of diffusion models, controllable generation is of practical significance, but is also challenging. Current methods for controllable generation primarily focus on modifying the score function of diffusion models, while Mean Reverting (MR) Diffusion directly modifies the structure of the stochastic differential equation (SDE), making the incorporation of image conditions simpler and more natural. However, current training-free fast samplers are not directly applicable to MR Diffusion. And thus MR Diffusion requires hundreds of NFEs (number of function evaluations) to obtain high-quality samples. In this paper, we propose a new algorithm named MRS (MR Sampler) to reduce the sampling NFEs of MR Diffusion. We solve the reverse-time SDE and the probability flow ordinary differential equation (PF-ODE) associated with MR Diffusion, and derive semi-analytical solutions. The solutions consist of an analytical function and an integral parameterized by a neural network. Based on this solution, we can generate high-quality samples in fewer steps. Our approach does not require training and supports all mainstream parameterizations, including noise prediction, data prediction and velocity prediction. Extensive experiments demonstrate that MR Sampler maintains high sampling quality with a speedup of 10 to 20 times across ten different image restoration tasks. Our algorithm accelerates the sampling procedure of MR Diffusion, making it more practical in controllable generation.

  • 6 authors
·
Feb 11 2

HyperHuman: Hyper-Realistic Human Generation with Latent Structural Diffusion

Despite significant advances in large-scale text-to-image models, achieving hyper-realistic human image generation remains a desirable yet unsolved task. Existing models like Stable Diffusion and DALL-E 2 tend to generate human images with incoherent parts or unnatural poses. To tackle these challenges, our key insight is that human image is inherently structural over multiple granularities, from the coarse-level body skeleton to fine-grained spatial geometry. Therefore, capturing such correlations between the explicit appearance and latent structure in one model is essential to generate coherent and natural human images. To this end, we propose a unified framework, HyperHuman, that generates in-the-wild human images of high realism and diverse layouts. Specifically, 1) we first build a large-scale human-centric dataset, named HumanVerse, which consists of 340M images with comprehensive annotations like human pose, depth, and surface normal. 2) Next, we propose a Latent Structural Diffusion Model that simultaneously denoises the depth and surface normal along with the synthesized RGB image. Our model enforces the joint learning of image appearance, spatial relationship, and geometry in a unified network, where each branch in the model complements to each other with both structural awareness and textural richness. 3) Finally, to further boost the visual quality, we propose a Structure-Guided Refiner to compose the predicted conditions for more detailed generation of higher resolution. Extensive experiments demonstrate that our framework yields the state-of-the-art performance, generating hyper-realistic human images under diverse scenarios. Project Page: https://snap-research.github.io/HyperHuman/

  • 9 authors
·
Oct 12, 2023 1

Exploitation Is All You Need... for Exploration

Ensuring sufficient exploration is a central challenge when training meta-reinforcement learning (meta-RL) agents to solve novel environments. Conventional solutions to the exploration-exploitation dilemma inject explicit incentives such as randomization, uncertainty bonuses, or intrinsic rewards to encourage exploration. In this work, we hypothesize that an agent trained solely to maximize a greedy (exploitation-only) objective can nonetheless exhibit emergent exploratory behavior, provided three conditions are met: (1) Recurring Environmental Structure, where the environment features repeatable regularities that allow past experience to inform future choices; (2) Agent Memory, enabling the agent to retain and utilize historical interaction data; and (3) Long-Horizon Credit Assignment, where learning propagates returns over a time frame sufficient for the delayed benefits of exploration to inform current decisions. Through experiments in stochastic multi-armed bandits and temporally extended gridworlds, we observe that, when both structure and memory are present, a policy trained on a strictly greedy objective exhibits information-seeking exploratory behavior. We further demonstrate, through controlled ablations, that emergent exploration vanishes if either environmental structure or agent memory is absent (Conditions 1 & 2). Surprisingly, removing long-horizon credit assignment (Condition 3) does not always prevent emergent exploration-a result we attribute to the pseudo-Thompson Sampling effect. These findings suggest that, under the right prerequisites, exploration and exploitation need not be treated as orthogonal objectives but can emerge from a unified reward-maximization process.

Transparent Image Layer Diffusion using Latent Transparency

We present LayerDiffusion, an approach enabling large-scale pretrained latent diffusion models to generate transparent images. The method allows generation of single transparent images or of multiple transparent layers. The method learns a "latent transparency" that encodes alpha channel transparency into the latent manifold of a pretrained latent diffusion model. It preserves the production-ready quality of the large diffusion model by regulating the added transparency as a latent offset with minimal changes to the original latent distribution of the pretrained model. In this way, any latent diffusion model can be converted into a transparent image generator by finetuning it with the adjusted latent space. We train the model with 1M transparent image layer pairs collected using a human-in-the-loop collection scheme. We show that latent transparency can be applied to different open source image generators, or be adapted to various conditional control systems to achieve applications like foreground/background-conditioned layer generation, joint layer generation, structural control of layer contents, etc. A user study finds that in most cases (97%) users prefer our natively generated transparent content over previous ad-hoc solutions such as generating and then matting. Users also report the quality of our generated transparent images is comparable to real commercial transparent assets like Adobe Stock.

  • 2 authors
·
Feb 26, 2024

EMMA: Generalizing Real-World Robot Manipulation via Generative Visual Transfer

Vision-language-action (VLA) models increasingly rely on diverse training data to achieve robust generalization. However, collecting large-scale real-world robot manipulation data across varied object appearances and environmental conditions remains prohibitively time-consuming and expensive. To overcome this bottleneck, we propose Embodied Manipulation Media Adaptation (EMMA), a VLA policy enhancement framework that integrates a generative data engine with an effective training pipeline. We introduce DreamTransfer, a diffusion Transformer-based framework for generating multi-view consistent, geometrically grounded embodied manipulation videos. DreamTransfer enables text-controlled visual editing of robot videos, transforming foreground, background, and lighting conditions without compromising 3D structure or geometrical plausibility. Furthermore, we explore hybrid training with real and generated data, and introduce AdaMix, a hard-sample-aware training strategy that dynamically reweights training batches to focus optimization on perceptually or kinematically challenging samples. Extensive experiments show that videos generated by DreamTransfer significantly outperform prior video generation methods in multi-view consistency, geometric fidelity, and text-conditioning accuracy. Crucially, VLAs trained with generated data enable robots to generalize to unseen object categories and novel visual domains using only demonstrations from a single appearance. In real-world robotic manipulation tasks with zero-shot visual domains, our approach achieves over a 200% relative performance gain compared to training on real data alone, and further improves by 13% with AdaMix, demonstrating its effectiveness in boosting policy generalization.

  • 13 authors
·
Sep 26

YuE: Scaling Open Foundation Models for Long-Form Music Generation

We tackle the task of long-form music generation--particularly the challenging lyrics-to-song problem--by introducing YuE, a family of open foundation models based on the LLaMA2 architecture. Specifically, YuE scales to trillions of tokens and generates up to five minutes of music while maintaining lyrical alignment, coherent musical structure, and engaging vocal melodies with appropriate accompaniment. It achieves this through (1) track-decoupled next-token prediction to overcome dense mixture signals, (2) structural progressive conditioning for long-context lyrical alignment, and (3) a multitask, multiphase pre-training recipe to converge and generalize. In addition, we redesign the in-context learning technique for music generation, enabling versatile style transfer (e.g., converting Japanese city pop into an English rap while preserving the original accompaniment) and bidirectional generation. Through extensive evaluation, we demonstrate that YuE matches or even surpasses some of the proprietary systems in musicality and vocal agility. In addition, fine-tuning YuE enables additional controls and enhanced support for tail languages. Furthermore, beyond generation, we show that YuE's learned representations can perform well on music understanding tasks, where the results of YuE match or exceed state-of-the-art methods on the MARBLE benchmark. Keywords: lyrics2song, song generation, long-form, foundation model, music generation

  • 57 authors
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Mar 11 3

From Flat to Hierarchical: Extracting Sparse Representations with Matching Pursuit

Motivated by the hypothesis that neural network representations encode abstract, interpretable features as linearly accessible, approximately orthogonal directions, sparse autoencoders (SAEs) have become a popular tool in interpretability. However, recent work has demonstrated phenomenology of model representations that lies outside the scope of this hypothesis, showing signatures of hierarchical, nonlinear, and multi-dimensional features. This raises the question: do SAEs represent features that possess structure at odds with their motivating hypothesis? If not, does avoiding this mismatch help identify said features and gain further insights into neural network representations? To answer these questions, we take a construction-based approach and re-contextualize the popular matching pursuits (MP) algorithm from sparse coding to design MP-SAE -- an SAE that unrolls its encoder into a sequence of residual-guided steps, allowing it to capture hierarchical and nonlinearly accessible features. Comparing this architecture with existing SAEs on a mixture of synthetic and natural data settings, we show: (i) hierarchical concepts induce conditionally orthogonal features, which existing SAEs are unable to faithfully capture, and (ii) the nonlinear encoding step of MP-SAE recovers highly meaningful features, helping us unravel shared structure in the seemingly dichotomous representation spaces of different modalities in a vision-language model, hence demonstrating the assumption that useful features are solely linearly accessible is insufficient. We also show that the sequential encoder principle of MP-SAE affords an additional benefit of adaptive sparsity at inference time, which may be of independent interest. Overall, we argue our results provide credence to the idea that interpretability should begin with the phenomenology of representations, with methods emerging from assumptions that fit it.

  • 5 authors
·
Jun 3

DriveDreamer4D: World Models Are Effective Data Machines for 4D Driving Scene Representation

Closed-loop simulation is essential for advancing end-to-end autonomous driving systems. Contemporary sensor simulation methods, such as NeRF and 3DGS, rely predominantly on conditions closely aligned with training data distributions, which are largely confined to forward-driving scenarios. Consequently, these methods face limitations when rendering complex maneuvers (e.g., lane change, acceleration, deceleration). Recent advancements in autonomous-driving world models have demonstrated the potential to generate diverse driving videos. However, these approaches remain constrained to 2D video generation, inherently lacking the spatiotemporal coherence required to capture intricacies of dynamic driving environments. In this paper, we introduce DriveDreamer4D, which enhances 4D driving scene representation leveraging world model priors. Specifically, we utilize the world model as a data machine to synthesize novel trajectory videos based on real-world driving data. Notably, we explicitly leverage structured conditions to control the spatial-temporal consistency of foreground and background elements, thus the generated data adheres closely to traffic constraints. To our knowledge, DriveDreamer4D is the first to utilize video generation models for improving 4D reconstruction in driving scenarios. Experimental results reveal that DriveDreamer4D significantly enhances generation quality under novel trajectory views, achieving a relative improvement in FID by 24.5%, 39.0%, and 10.5% compared to PVG, S3Gaussian, and Deformable-GS. Moreover, DriveDreamer4D markedly enhances the spatiotemporal coherence of driving agents, which is verified by a comprehensive user study and the relative increases of 20.3%, 42.0%, and 13.7% in the NTA-IoU metric.

  • 12 authors
·
Oct 17, 2024

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 2

G3PT: Unleash the power of Autoregressive Modeling in 3D Generation via Cross-scale Querying Transformer

Autoregressive transformers have revolutionized generative models in language processing and shown substantial promise in image and video generation. However, these models face significant challenges when extended to 3D generation tasks due to their reliance on next-token prediction to learn token sequences, which is incompatible with the unordered nature of 3D data. Instead of imposing an artificial order on 3D data, in this paper, we introduce G3PT, a scalable coarse-to-fine 3D generative model utilizing a cross-scale querying transformer. The key is to map point-based 3D data into discrete tokens with different levels of detail, naturally establishing a sequential relationship between different levels suitable for autoregressive modeling. Additionally, the cross-scale querying transformer connects tokens globally across different levels of detail without requiring an ordered sequence. Benefiting from this approach, G3PT features a versatile 3D generation pipeline that effortlessly supports diverse conditional structures, enabling the generation of 3D shapes from various types of conditions. Extensive experiments demonstrate that G3PT achieves superior generation quality and generalization ability compared to previous 3D generation methods. Most importantly, for the first time in 3D generation, scaling up G3PT reveals distinct power-law scaling behaviors.

  • 3 authors
·
Sep 10, 2024

An Overview of Diffusion Models: Applications, Guided Generation, Statistical Rates and Optimization

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible high-dimensional data modeling, and act as a sampler for generating new samples under active guidance towards task-desired properties. Despite the significant empirical success, theory of diffusion models is very limited, potentially slowing down principled methodological innovations for further harnessing and improving diffusion models. In this paper, we review emerging applications of diffusion models, understanding their sample generation under various controls. Next, we overview the existing theories of diffusion models, covering their statistical properties and sampling capabilities. We adopt a progressive routine, beginning with unconditional diffusion models and connecting to conditional counterparts. Further, we review a new avenue in high-dimensional structured optimization through conditional diffusion models, where searching for solutions is reformulated as a conditional sampling problem and solved by diffusion models. Lastly, we discuss future directions about diffusion models. The purpose of this paper is to provide a well-rounded theoretical exposure for stimulating forward-looking theories and methods of diffusion models.

  • 4 authors
·
Apr 11, 2024

PLaID++: A Preference Aligned Language Model for Targeted Inorganic Materials Design

Discovering novel materials is critical for technological advancements such as solar cells, batteries, and carbon capture. However, the development of new materials is constrained by a slow and expensive trial-and-error process. To accelerate this pipeline, we introduce PLaID++, a Large Language Model (LLM) fine-tuned for stable and property-guided crystal generation. We fine-tune Qwen-2.5 7B to generate crystal structures using a novel Wyckoff-based text representation. We show that generation can be effectively guided with a reinforcement learning technique based on Direct Preference Optimization (DPO), with sampled structures categorized by their stability, novelty, and space group. By encoding symmetry constraints directly into text and guiding model outputs towards desirable chemical space, PLaID++ generates structures that are thermodynamically stable, unique, and novel at a sim50\% greater rate than prior methods and conditionally generates structures with desired space group properties. Our experiments highlight the effectiveness of iterative DPO, achieving sim115\% and sim50\% improvements in unconditional and space group conditioned generation, respectively, compared to fine-tuning alone. Our work demonstrates the potential of adapting post-training techniques from natural language processing to materials design, paving the way for targeted and efficient discovery of novel materials.

  • 5 authors
·
Sep 8

Coherent Structures Governing Transport at Turbulent Interfaces

In an experiment on a turbulent jet, we detect interfacial turbulent layers in a frame that moves, on average, along with the \tnti. This significantly prolongs the observation time of scalar and velocity structures and enables the measurement of two types of Lagrangian coherent structures. One structure, the finite-time Lyapunov field (FTLE), quantifies advective transport barriers of fluid parcels while the other structure highlights barriers of diffusive momentum transport. These two complementary structures depend on large-scale and small-scale motion and are therefore associated with the growth of the turbulent region through engulfment or nibbling, respectively. We detect the \tnti\ from cluster analysis, where we divide the measured scalar field into four clusters. Not only the \tnti\ can be found this way, but also the next, internal, turbulent-turbulent interface. Conditional averages show that these interfaces are correlated with barriers of advective and diffusive transport when the Lagrangian integration time is smaller than the integral time scale. Diffusive structures decorrelate faster since they have a smaller timescale. Conditional averages of these structures at internal turbulent-turbulent interfaces show the same pattern with a more pronounced jump at the interface indicative of a shear layer. This is quite an unexpected outcome, as the internal interface is now defined not by the presence or absence of vorticity, but by conditional vorticity corresponding to two uniform concentration zones. The long-time diffusive momentum flux along Lagrangian paths represents the growth of the turbulent flow into the irrotational domain, a direct demonstration of nibbling. The diffusive flux parallel to the \tnti\ appears to be concentrated in a diffusive superlayer whose width is comparable with the Taylor microscale, which is relatively invariant in time.

  • 5 authors
·
Dec 17, 2024

Efficiently Modeling Long Sequences with Structured State Spaces

A central goal of sequence modeling is designing a single principled model that can address sequence data across a range of modalities and tasks, particularly on long-range dependencies. Although conventional models including RNNs, CNNs, and Transformers have specialized variants for capturing long dependencies, they still struggle to scale to very long sequences of 10000 or more steps. A promising recent approach proposed modeling sequences by simulating the fundamental state space model (SSM) \( x'(t) = Ax(t) + Bu(t), y(t) = Cx(t) + Du(t) \), and showed that for appropriate choices of the state matrix \( A \), this system could handle long-range dependencies mathematically and empirically. However, this method has prohibitive computation and memory requirements, rendering it infeasible as a general sequence modeling solution. We propose the Structured State Space sequence model (S4) based on a new parameterization for the SSM, and show that it can be computed much more efficiently than prior approaches while preserving their theoretical strengths. Our technique involves conditioning \( A \) with a low-rank correction, allowing it to be diagonalized stably and reducing the SSM to the well-studied computation of a Cauchy kernel. S4 achieves strong empirical results across a diverse range of established benchmarks, including (i) 91\% accuracy on sequential CIFAR-10 with no data augmentation or auxiliary losses, on par with a larger 2-D ResNet, (ii) substantially closing the gap to Transformers on image and language modeling tasks, while performing generation 60times faster (iii) SoTA on every task from the Long Range Arena benchmark, including solving the challenging Path-X task of length 16k that all prior work fails on, while being as efficient as all competitors.

  • 3 authors
·
Oct 30, 2021

Accurate generation of chemical reaction transition states by conditional flow matching

Transition state (TS) structures define the critical geometries and energy barriers underlying chemical reactivity, yet their fleeting nature renders them experimentally elusive and drives the reliance on costly, high-throughput density functional theory (DFT) calculations. Here, we introduce TS-GEN, a conditional flow-matching generative model that maps samples from a simple Gaussian prior directly to transition-state saddle-point geometries in a single, deterministic pass. By embedding both reactant and product conformations as conditioning information, TS-GEN learns to transport latent noise to true TS structures via an optimal-transport path, effectively replacing the iterative optimization common in nudged-elastic band or string-method algorithms. TS-GEN delivers unprecedented accuracy, achieving a root-mean-square deviation of 0.004 mathring{A} (vs. 0.103 mathring{A} for prior state-of-the-art) and a mean barrier-height error of 1.019 {rm kcal/mol} (vs. 2.864 {rm kcal/mol}), while requiring only 0.06 {rm s} GPU time per inference. Over 87% of generated TSs meet chemical-accuracy criteria (<1.58 {rm kcal/mol} error), substantially outpacing existing methods. TS-GEN also exhibits strong transferability to out-of-distribution reactions from a larger database. By uniting sub-angstrom precision, sub-second speed, and broad applicability, TS-GEN will be highly useful for high-throughput exploration of complex reaction networks, paving the way to the exploration of novel chemical reaction mechanisms.

  • 3 authors
·
Jul 14

Sparks of Science: Hypothesis Generation Using Structured Paper Data

Generating novel and creative scientific hypotheses is a cornerstone in achieving Artificial General Intelligence. Large language and reasoning models have the potential to aid in the systematic creation, selection, and validation of scientifically informed hypotheses. However, current foundation models often struggle to produce scientific ideas that are both novel and feasible. One reason is the lack of a dedicated dataset that frames Scientific Hypothesis Generation (SHG) as a Natural Language Generation (NLG) task. In this paper, we introduce HypoGen, the first dataset of approximately 5500 structured problem-hypothesis pairs extracted from top-tier computer science conferences structured with a Bit-Flip-Spark schema, where the Bit is the conventional assumption, the Spark is the key insight or conceptual leap, and the Flip is the resulting counterproposal. HypoGen uniquely integrates an explicit Chain-of-Reasoning component that reflects the intellectual process from Bit to Flip. We demonstrate that framing hypothesis generation as conditional language modelling, with the model fine-tuned on Bit-Flip-Spark and the Chain-of-Reasoning (and where, at inference, we only provide the Bit), leads to improvements in the overall quality of the hypotheses. Our evaluation employs automated metrics and LLM judge rankings for overall quality assessment. We show that by fine-tuning on our HypoGen dataset we improve the novelty, feasibility, and overall quality of the generated hypotheses. The HypoGen dataset is publicly available at huggingface.co/datasets/UniverseTBD/hypogen-dr1.

  • 7 authors
·
Apr 17

Koala-36M: A Large-scale Video Dataset Improving Consistency between Fine-grained Conditions and Video Content

As visual generation technologies continue to advance, the scale of video datasets has expanded rapidly, and the quality of these datasets is critical to the performance of video generation models. We argue that temporal splitting, detailed captions, and video quality filtering are three key factors that determine dataset quality. However, existing datasets exhibit various limitations in these areas. To address these challenges, we introduce Koala-36M, a large-scale, high-quality video dataset featuring accurate temporal splitting, detailed captions, and superior video quality. The core of our approach lies in improving the consistency between fine-grained conditions and video content. Specifically, we employ a linear classifier on probability distributions to enhance the accuracy of transition detection, ensuring better temporal consistency. We then provide structured captions for the splitted videos, with an average length of 200 words, to improve text-video alignment. Additionally, we develop a Video Training Suitability Score (VTSS) that integrates multiple sub-metrics, allowing us to filter high-quality videos from the original corpus. Finally, we incorporate several metrics into the training process of the generation model, further refining the fine-grained conditions. Our experiments demonstrate the effectiveness of our data processing pipeline and the quality of the proposed Koala-36M dataset. Our dataset and code will be released at https://koala36m.github.io/.

  • 13 authors
·
Oct 10, 2024

ArtFusion: Arbitrary Style Transfer using Dual Conditional Latent Diffusion Models

Arbitrary Style Transfer (AST) aims to transform images by adopting the style from any selected artwork. Nonetheless, the need to accommodate diverse and subjective user preferences poses a significant challenge. While some users wish to preserve distinct content structures, others might favor a more pronounced stylization. Despite advances in feed-forward AST methods, their limited customizability hinders their practical application. We propose a new approach, ArtFusion, which provides a flexible balance between content and style. In contrast to traditional methods reliant on biased similarity losses, ArtFusion utilizes our innovative Dual Conditional Latent Diffusion Probabilistic Models (Dual-cLDM). This approach mitigates repetitive patterns and enhances subtle artistic aspects like brush strokes and genre-specific features. Despite the promising results of conditional diffusion probabilistic models (cDM) in various generative tasks, their introduction to style transfer is challenging due to the requirement for paired training data. ArtFusion successfully navigates this issue, offering more practical and controllable stylization. A key element of our approach involves using a single image for both content and style during model training, all the while maintaining effective stylization during inference. ArtFusion outperforms existing approaches on outstanding controllability and faithful presentation of artistic details, providing evidence of its superior style transfer capabilities. Furthermore, the Dual-cLDM utilized in ArtFusion carries the potential for a variety of complex multi-condition generative tasks, thus greatly broadening the impact of our research.

  • 1 authors
·
Jun 15, 2023

Super-resolving Real-world Image Illumination Enhancement: A New Dataset and A Conditional Diffusion Model

Most existing super-resolution methods and datasets have been developed to improve the image quality in well-lighted conditions. However, these methods do not work well in real-world low-light conditions as the images captured in such conditions lose most important information and contain significant unknown noises. To solve this problem, we propose a SRRIIE dataset with an efficient conditional diffusion probabilistic models-based method. The proposed dataset contains 4800 paired low-high quality images. To ensure that the dataset are able to model the real-world image degradation in low-illumination environments, we capture images using an ILDC camera and an optical zoom lens with exposure levels ranging from -6 EV to 0 EV and ISO levels ranging from 50 to 12800. We comprehensively evaluate with various reconstruction and perceptual metrics and demonstrate the practicabilities of the SRRIIE dataset for deep learning-based methods. We show that most existing methods are less effective in preserving the structures and sharpness of restored images from complicated noises. To overcome this problem, we revise the condition for Raw sensor data and propose a novel time-melding condition for diffusion probabilistic model. Comprehensive quantitative and qualitative experimental results on the real-world benchmark datasets demonstrate the feasibility and effectivenesses of the proposed conditional diffusion probabilistic model on Raw sensor data. Code and dataset will be available at https://github.com/Yaofang-Liu/Super-Resolving

  • 7 authors
·
Oct 16, 2024

3D Multiphase Heterogeneous Microstructure Generation Using Conditional Latent Diffusion Models

The ability to generate 3D multiphase microstructures on-demand with targeted attributes can greatly accelerate the design of advanced materials. Here, we present a conditional latent diffusion model (LDM) framework that rapidly synthesizes high-fidelity 3D multiphase microstructures tailored to user specifications. Using this approach, we generate diverse two-phase and three-phase microstructures at high resolution (volumes of 128 times 128 times 64 voxels, representing >10^6 voxels each) within seconds, overcoming the scalability and time limitations of traditional simulation-based methods. Key design features, such as desired volume fractions and tortuosities, are incorporated as controllable inputs to guide the generative process, ensuring that the output structures meet prescribed statistical and topological targets. Moreover, the framework predicts corresponding manufacturing (processing) parameters for each generated microstructure, helping to bridge the gap between digital microstructure design and experimental fabrication. While demonstrated on organic photovoltaic (OPV) active-layer morphologies, the flexible architecture of our approach makes it readily adaptable to other material systems and microstructure datasets. By combining computational efficiency, adaptability, and experimental relevance, this framework addresses major limitations of existing methods and offers a powerful tool for accelerated materials discovery.

  • 6 authors
·
Mar 12

Tree-of-Code: A Tree-Structured Exploring Framework for End-to-End Code Generation and Execution in Complex Task Handling

Solving complex reasoning tasks is a key real-world application of agents. Thanks to the pretraining of Large Language Models (LLMs) on code data, recent approaches like CodeAct successfully use code as LLM agents' action, achieving good results. However, CodeAct greedily generates the next action's code block by relying on fragmented thoughts, resulting in inconsistency and instability. Moreover, CodeAct lacks action-related ground-truth (GT), making its supervision signals and termination conditions questionable in multi-turn interactions. To address these issues, we first introduce a simple yet effective end-to-end code generation paradigm, CodeProgram, which leverages code's systematic logic to align with global reasoning and enable cohesive problem-solving. Then, we propose Tree-of-Code (ToC), which self-grows CodeProgram nodes based on the executable nature of the code and enables self-supervision in a GT-free scenario. Experimental results on two datasets using ten popular zero-shot LLMs show ToC remarkably boosts accuracy by nearly 20% over CodeAct with less than 1/4 turns. Several LLMs even perform better on one-turn CodeProgram than on multi-turn CodeAct. To further investigate the trade-off between efficacy and efficiency, we test different ToC tree sizes and exploration mechanisms. We also highlight the potential of ToC's end-to-end data generation for supervised and reinforced fine-tuning.

  • 6 authors
·
Dec 19, 2024

DETree: DEtecting Human-AI Collaborative Texts via Tree-Structured Hierarchical Representation Learning

Detecting AI-involved text is essential for combating misinformation, plagiarism, and academic misconduct. However, AI text generation includes diverse collaborative processes (AI-written text edited by humans, human-written text edited by AI, and AI-generated text refined by other AI), where various or even new LLMs could be involved. Texts generated through these varied processes exhibit complex characteristics, presenting significant challenges for detection. Current methods model these processes rather crudely, primarily employing binary classification (purely human vs. AI-involved) or multi-classification (treating human-AI collaboration as a new class). We observe that representations of texts generated through different processes exhibit inherent clustering relationships. Therefore, we propose DETree, a novel approach that models the relationships among different processes as a Hierarchical Affinity Tree structure, and introduces a specialized loss function that aligns text representations with this tree. To facilitate this learning, we developed RealBench, a comprehensive benchmark dataset that automatically incorporates a wide spectrum of hybrid texts produced through various human-AI collaboration processes. Our method improves performance in hybrid text detection tasks and significantly enhances robustness and generalization in out-of-distribution scenarios, particularly in few-shot learning conditions, further demonstrating the promise of training-based approaches in OOD settings. Our code and dataset are available at https://github.com/heyongxin233/DETree.

  • 5 authors
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Oct 20

ProstaTD: A Large-scale Multi-source Dataset for Structured Surgical Triplet Detection

Surgical triplet detection has emerged as a pivotal task in surgical video analysis, with significant implications for performance assessment and the training of novice surgeons. However, existing datasets such as CholecT50 exhibit critical limitations: they lack precise spatial bounding box annotations, provide inconsistent and clinically ungrounded temporal labels, and rely on a single data source, which limits model generalizability.To address these shortcomings, we introduce ProstaTD, a large-scale, multi-institutional dataset for surgical triplet detection, developed from the technically demanding domain of robot-assisted prostatectomy. ProstaTD offers clinically defined temporal boundaries and high-precision bounding box annotations for each structured triplet action. The dataset comprises 60,529 video frames and 165,567 annotated triplet instances, collected from 21 surgeries performed across multiple institutions, reflecting a broad range of surgical practices and intraoperative conditions. The annotation process was conducted under rigorous medical supervision and involved more than 50 contributors, including practicing surgeons and medically trained annotators, through multiple iterative phases of labeling and verification. ProstaTD is the largest and most diverse surgical triplet dataset to date, providing a robust foundation for fair benchmarking, the development of reliable surgical AI systems, and scalable tools for procedural training.

  • 8 authors
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Jun 1

MAPLE: A Mobile Agent with Persistent Finite State Machines for Structured Task Reasoning

Mobile GUI agents aim to autonomously complete user-instructed tasks across mobile apps. Recent advances in Multimodal Large Language Models (MLLMs) enable these agents to interpret UI screens, identify actionable elements, and perform interactions such as tapping or typing. However, existing agents remain reactive: they reason only over the current screen and lack a structured model of app navigation flow, limiting their ability to understand context, detect unexpected outcomes, and recover from errors. We present MAPLE, a state-aware multi-agent framework that abstracts app interactions as a Finite State Machine (FSM). We computationally model each UI screen as a discrete state and user actions as transitions, allowing the FSM to provide a structured representation of the app execution. MAPLE consists of specialized agents responsible for four phases of task execution: planning, execution, verification, error recovery, and knowledge retention. These agents collaborate to dynamically construct FSMs in real time based on perception data extracted from the UI screen, allowing the GUI agents to track navigation progress and flow, validate action outcomes through pre- and post-conditions of the states, and recover from errors by rolling back to previously stable states. Our evaluation results on two challenging cross-app benchmarks, Mobile-Eval-E and SPA-Bench, show that MAPLE outperforms the state-of-the-art baseline, improving task success rate by up to 12%, recovery success by 13.8%, and action accuracy by 6.5%. Our results highlight the importance of structured state modeling in guiding mobile GUI agents during task execution. Moreover, our FSM representation can be integrated into future GUI agent architectures as a lightweight, model-agnostic memory layer to support structured planning, execution verification, and error recovery.

  • 6 authors
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May 29

BS-LDM: Effective Bone Suppression in High-Resolution Chest X-Ray Images with Conditional Latent Diffusion Models

Lung diseases represent a significant global health challenge, with Chest X-Ray (CXR) being a key diagnostic tool due to their accessibility and affordability. Nonetheless, the detection of pulmonary lesions is often hindered by overlapping bone structures in CXR images, leading to potential misdiagnoses. To address this issue, we developed an end-to-end framework called BS-LDM, designed to effectively suppress bone in high-resolution CXR images. This framework is based on conditional latent diffusion models and incorporates a multi-level hybrid loss-constrained vector-quantized generative adversarial network which is crafted for perceptual compression, ensuring the preservation of details. To further enhance the framework's performance, we introduce offset noise and a temporal adaptive thresholding strategy. These additions help minimize discrepancies in generating low-frequency information, thereby improving the clarity of the generated soft tissue images. Additionally, we have compiled a high-quality bone suppression dataset named SZCH-X-Rays. This dataset includes 818 pairs of high-resolution CXR and dual-energy subtraction soft tissue images collected from a partner hospital. Moreover, we processed 241 data pairs from the JSRT dataset into negative images, which are more commonly used in clinical practice. Our comprehensive experimental and clinical evaluations reveal that BS-LDM excels in bone suppression, underscoring its significant clinical value.

  • 10 authors
·
Dec 20, 2024

Self-Tuning Networks: Bilevel Optimization of Hyperparameters using Structured Best-Response Functions

Hyperparameter optimization can be formulated as a bilevel optimization problem, where the optimal parameters on the training set depend on the hyperparameters. We aim to adapt regularization hyperparameters for neural networks by fitting compact approximations to the best-response function, which maps hyperparameters to optimal weights and biases. We show how to construct scalable best-response approximations for neural networks by modeling the best-response as a single network whose hidden units are gated conditionally on the regularizer. We justify this approximation by showing the exact best-response for a shallow linear network with L2-regularized Jacobian can be represented by a similar gating mechanism. We fit this model using a gradient-based hyperparameter optimization algorithm which alternates between approximating the best-response around the current hyperparameters and optimizing the hyperparameters using the approximate best-response function. Unlike other gradient-based approaches, we do not require differentiating the training loss with respect to the hyperparameters, allowing us to tune discrete hyperparameters, data augmentation hyperparameters, and dropout probabilities. Because the hyperparameters are adapted online, our approach discovers hyperparameter schedules that can outperform fixed hyperparameter values. Empirically, our approach outperforms competing hyperparameter optimization methods on large-scale deep learning problems. We call our networks, which update their own hyperparameters online during training, Self-Tuning Networks (STNs).

  • 5 authors
·
Mar 7, 2019

DeepFaceEditing: Deep Face Generation and Editing with Disentangled Geometry and Appearance Control

Recent facial image synthesis methods have been mainly based on conditional generative models. Sketch-based conditions can effectively describe the geometry of faces, including the contours of facial components, hair structures, as well as salient edges (e.g., wrinkles) on face surfaces but lack effective control of appearance, which is influenced by color, material, lighting condition, etc. To have more control of generated results, one possible approach is to apply existing disentangling works to disentangle face images into geometry and appearance representations. However, existing disentangling methods are not optimized for human face editing, and cannot achieve fine control of facial details such as wrinkles. To address this issue, we propose DeepFaceEditing, a structured disentanglement framework specifically designed for face images to support face generation and editing with disentangled control of geometry and appearance. We adopt a local-to-global approach to incorporate the face domain knowledge: local component images are decomposed into geometry and appearance representations, which are fused consistently using a global fusion module to improve generation quality. We exploit sketches to assist in extracting a better geometry representation, which also supports intuitive geometry editing via sketching. The resulting method can either extract the geometry and appearance representations from face images, or directly extract the geometry representation from face sketches. Such representations allow users to easily edit and synthesize face images, with decoupled control of their geometry and appearance. Both qualitative and quantitative evaluations show the superior detail and appearance control abilities of our method compared to state-of-the-art methods.

  • 7 authors
·
May 19, 2021

DeepOrgan: Multi-level Deep Convolutional Networks for Automated Pancreas Segmentation

Automatic organ segmentation is an important yet challenging problem for medical image analysis. The pancreas is an abdominal organ with very high anatomical variability. This inhibits previous segmentation methods from achieving high accuracies, especially compared to other organs such as the liver, heart or kidneys. In this paper, we present a probabilistic bottom-up approach for pancreas segmentation in abdominal computed tomography (CT) scans, using multi-level deep convolutional networks (ConvNets). We propose and evaluate several variations of deep ConvNets in the context of hierarchical, coarse-to-fine classification on image patches and regions, i.e. superpixels. We first present a dense labeling of local image patches via P{-}ConvNet and nearest neighbor fusion. Then we describe a regional ConvNet (R_1{-}ConvNet) that samples a set of bounding boxes around each image superpixel at different scales of contexts in a "zoom-out" fashion. Our ConvNets learn to assign class probabilities for each superpixel region of being pancreas. Last, we study a stacked R_2{-}ConvNet leveraging the joint space of CT intensities and the P{-}ConvNet dense probability maps. Both 3D Gaussian smoothing and 2D conditional random fields are exploited as structured predictions for post-processing. We evaluate on CT images of 82 patients in 4-fold cross-validation. We achieve a Dice Similarity Coefficient of 83.6pm6.3% in training and 71.8pm10.7% in testing.

  • 7 authors
·
Jun 21, 2015

Seg2Any: Open-set Segmentation-Mask-to-Image Generation with Precise Shape and Semantic Control

Despite recent advances in diffusion models, top-tier text-to-image (T2I) models still struggle to achieve precise spatial layout control, i.e. accurately generating entities with specified attributes and locations. Segmentation-mask-to-image (S2I) generation has emerged as a promising solution by incorporating pixel-level spatial guidance and regional text prompts. However, existing S2I methods fail to simultaneously ensure semantic consistency and shape consistency. To address these challenges, we propose Seg2Any, a novel S2I framework built upon advanced multimodal diffusion transformers (e.g. FLUX). First, to achieve both semantic and shape consistency, we decouple segmentation mask conditions into regional semantic and high-frequency shape components. The regional semantic condition is introduced by a Semantic Alignment Attention Mask, ensuring that generated entities adhere to their assigned text prompts. The high-frequency shape condition, representing entity boundaries, is encoded as an Entity Contour Map and then introduced as an additional modality via multi-modal attention to guide image spatial structure. Second, to prevent attribute leakage across entities in multi-entity scenarios, we introduce an Attribute Isolation Attention Mask mechanism, which constrains each entity's image tokens to attend exclusively to themselves during image self-attention. To support open-set S2I generation, we construct SACap-1M, a large-scale dataset containing 1 million images with 5.9 million segmented entities and detailed regional captions, along with a SACap-Eval benchmark for comprehensive S2I evaluation. Extensive experiments demonstrate that Seg2Any achieves state-of-the-art performance on both open-set and closed-set S2I benchmarks, particularly in fine-grained spatial and attribute control of entities.

  • 5 authors
·
May 31

RetinaLogos: Fine-Grained Synthesis of High-Resolution Retinal Images Through Captions

The scarcity of high-quality, labelled retinal imaging data, which presents a significant challenge in the development of machine learning models for ophthalmology, hinders progress in the field. Existing methods for synthesising Colour Fundus Photographs (CFPs) largely rely on predefined disease labels, which restricts their ability to generate images that reflect fine-grained anatomical variations, subtle disease stages, and diverse pathological features beyond coarse class categories. To overcome these challenges, we first introduce an innovative pipeline that creates a large-scale, captioned retinal dataset comprising 1.4 million entries, called RetinaLogos-1400k. Specifically, RetinaLogos-1400k uses the visual language model(VLM) to describe retinal conditions and key structures, such as optic disc configuration, vascular distribution, nerve fibre layers, and pathological features. Building on this dataset, we employ a novel three-step training framework, RetinaLogos, which enables fine-grained semantic control over retinal images and accurately captures different stages of disease progression, subtle anatomical variations, and specific lesion types. Through extensive experiments, our method demonstrates superior performance across multiple datasets, with 62.07% of text-driven synthetic CFPs indistinguishable from real ones by ophthalmologists. Moreover, the synthetic data improves accuracy by 5%-10% in diabetic retinopathy grading and glaucoma detection. Codes are available at https://github.com/uni-medical/retina-text2cfp.

Microstructure quality control of steels using deep learning

In quality control, microstructures are investigated rigorously to ensure structural integrity, exclude the presence of critical volume defects, and validate the formation of the target microstructure. For quenched, hierarchically-structured steels, the morphology of the bainitic and martensitic microstructures are of major concern to guarantee the reliability of the material under service conditions. Therefore, industries conduct small sample-size inspections of materials cross-sections through metallographers to validate the needle morphology of such microstructures. We demonstrate round-robin test results revealing that this visual grading is afflicted by pronounced subjectivity despite the thorough training of personnel. Instead, we propose a deep learning image classification approach that distinguishes steels based on their microstructure type and classifies their needle length alluding to the ISO 643 grain size assessment standard. This classification approach facilitates the reliable, objective, and automated classification of hierarchically structured steels. Specifically, an accuracy of 96% and roughly 91% is attained for the distinction of martensite/bainite subtypes and needle length, respectively. This is achieved on an image dataset that contains significant variance and labeling noise as it is acquired over more than ten years from multiple plants, alloys, etchant applications, and light optical microscopes by many metallographers (raters). Interpretability analysis gives insights into the decision-making of these models and allows for estimating their generalization capability.

  • 5 authors
·
Jun 1, 2023

VideoFrom3D: 3D Scene Video Generation via Complementary Image and Video Diffusion Models

In this paper, we propose VideoFrom3D, a novel framework for synthesizing high-quality 3D scene videos from coarse geometry, a camera trajectory, and a reference image. Our approach streamlines the 3D graphic design workflow, enabling flexible design exploration and rapid production of deliverables. A straightforward approach to synthesizing a video from coarse geometry might condition a video diffusion model on geometric structure. However, existing video diffusion models struggle to generate high-fidelity results for complex scenes due to the difficulty of jointly modeling visual quality, motion, and temporal consistency. To address this, we propose a generative framework that leverages the complementary strengths of image and video diffusion models. Specifically, our framework consists of a Sparse Anchor-view Generation (SAG) and a Geometry-guided Generative Inbetweening (GGI) module. The SAG module generates high-quality, cross-view consistent anchor views using an image diffusion model, aided by Sparse Appearance-guided Sampling. Building on these anchor views, GGI module faithfully interpolates intermediate frames using a video diffusion model, enhanced by flow-based camera control and structural guidance. Notably, both modules operate without any paired dataset of 3D scene models and natural images, which is extremely difficult to obtain. Comprehensive experiments show that our method produces high-quality, style-consistent scene videos under diverse and challenging scenarios, outperforming simple and extended baselines.

  • 3 authors
·
Sep 22 2

Derm1M: A Million-scale Vision-Language Dataset Aligned with Clinical Ontology Knowledge for Dermatology

The emergence of vision-language models has transformed medical AI, enabling unprecedented advances in diagnostic capability and clinical applications. However, progress in dermatology has lagged behind other medical domains due to the lack of standard image-text pairs. Existing dermatological datasets are limited in both scale and depth, offering only single-label annotations across a narrow range of diseases instead of rich textual descriptions, and lacking the crucial clinical context needed for real-world applications. To address these limitations, we present Derm1M, the first large-scale vision-language dataset for dermatology, comprising 1,029,761 image-text pairs. Built from diverse educational resources and structured around a standard ontology collaboratively developed by experts, Derm1M provides comprehensive coverage for over 390 skin conditions across four hierarchical levels and 130 clinical concepts with rich contextual information such as medical history, symptoms, and skin tone. To demonstrate Derm1M potential in advancing both AI research and clinical application, we pretrained a series of CLIP-like models, collectively called DermLIP, on this dataset. The DermLIP family significantly outperforms state-of-the-art foundation models on eight diverse datasets across multiple tasks, including zero-shot skin disease classification, clinical and artifacts concept identification, few-shot/full-shot learning, and cross-modal retrieval. Our dataset and code will be public.

Why think step by step? Reasoning emerges from the locality of experience

Humans have a powerful and mysterious capacity to reason. By working through a series of purely mental steps, we can make inferences we would not be capable of making directly -- despite the fact that we get no additional data from the world. Similarly, when large language models generate a series of intermediate steps (a chain of thought) before answering a question, they often produce better answers than they otherwise would. We investigate why and how chain-of-thought reasoning is useful in language models, testing the hypothesis that reasoning is effective when training data consists of local clusters of variables that influence each other strongly. These training conditions enable the chaining of accurate local inferences in order to estimate relationships between variables that were not seen together in training. We prove that there will exist a "reasoning gap", where reasoning through intermediate variables improves inference, for the simple case of an autoregressive density estimator trained on local samples from a chain-structured probabilistic model. We then test our hypothesis empirically in more complex models, training an autoregressive language model on samples from Bayes nets but only including a subset of variables in each sample. We test language models' ability to match conditional probabilities with and without intermediate reasoning steps, finding that intermediate steps are only helpful when the training data is locally structured with respect to dependencies between variables and that the combination of locally-structured observations and reasoning is much more data-efficient than training on all variables. Our results illustrate how the effectiveness of reasoning step by step is rooted in the local statistical structure of the training data.

  • 3 authors
·
Apr 7, 2023

Self-Rectifying Diffusion Sampling with Perturbed-Attention Guidance

Recent studies have demonstrated that diffusion models are capable of generating high-quality samples, but their quality heavily depends on sampling guidance techniques, such as classifier guidance (CG) and classifier-free guidance (CFG). These techniques are often not applicable in unconditional generation or in various downstream tasks such as image restoration. In this paper, we propose a novel sampling guidance, called Perturbed-Attention Guidance (PAG), which improves diffusion sample quality across both unconditional and conditional settings, achieving this without requiring additional training or the integration of external modules. PAG is designed to progressively enhance the structure of samples throughout the denoising process. It involves generating intermediate samples with degraded structure by substituting selected self-attention maps in diffusion U-Net with an identity matrix, by considering the self-attention mechanisms' ability to capture structural information, and guiding the denoising process away from these degraded samples. In both ADM and Stable Diffusion, PAG surprisingly improves sample quality in conditional and even unconditional scenarios. Moreover, PAG significantly improves the baseline performance in various downstream tasks where existing guidances such as CG or CFG cannot be fully utilized, including ControlNet with empty prompts and image restoration such as inpainting and deblurring.

  • 9 authors
·
Mar 26, 2024

An Edit Friendly DDPM Noise Space: Inversion and Manipulations

Denoising diffusion probabilistic models (DDPMs) employ a sequence of white Gaussian noise samples to generate an image. In analogy with GANs, those noise maps could be considered as the latent code associated with the generated image. However, this native noise space does not possess a convenient structure, and is thus challenging to work with in editing tasks. Here, we propose an alternative latent noise space for DDPM that enables a wide range of editing operations via simple means, and present an inversion method for extracting these edit-friendly noise maps for any given image (real or synthetically generated). As opposed to the native DDPM noise space, the edit-friendly noise maps do not have a standard normal distribution and are not statistically independent across timesteps. However, they allow perfect reconstruction of any desired image, and simple transformations on them translate into meaningful manipulations of the output image (e.g., shifting, color edits). Moreover, in text-conditional models, fixing those noise maps while changing the text prompt, modifies semantics while retaining structure. We illustrate how this property enables text-based editing of real images via the diverse DDPM sampling scheme (in contrast to the popular non-diverse DDIM inversion). We also show how it can be used within existing diffusion-based editing methods to improve their quality and diversity.

  • 3 authors
·
Apr 12, 2023

Combiner: Full Attention Transformer with Sparse Computation Cost

Transformers provide a class of expressive architectures that are extremely effective for sequence modeling. However, the key limitation of transformers is their quadratic memory and time complexity O(L^2) with respect to the sequence length in attention layers, which restricts application in extremely long sequences. Most existing approaches leverage sparsity or low-rank assumptions in the attention matrix to reduce cost, but sacrifice expressiveness. Instead, we propose Combiner, which provides full attention capability in each attention head while maintaining low computation and memory complexity. The key idea is to treat the self-attention mechanism as a conditional expectation over embeddings at each location, and approximate the conditional distribution with a structured factorization. Each location can attend to all other locations, either via direct attention, or through indirect attention to abstractions, which are again conditional expectations of embeddings from corresponding local regions. We show that most sparse attention patterns used in existing sparse transformers are able to inspire the design of such factorization for full attention, resulting in the same sub-quadratic cost (O(Llog(L)) or O(LL)). Combiner is a drop-in replacement for attention layers in existing transformers and can be easily implemented in common frameworks. An experimental evaluation on both autoregressive and bidirectional sequence tasks demonstrates the effectiveness of this approach, yielding state-of-the-art results on several image and text modeling tasks.

  • 7 authors
·
Jul 12, 2021

Decision Tree Induction Through LLMs via Semantically-Aware Evolution

Decision trees are a crucial class of models offering robust predictive performance and inherent interpretability across various domains, including healthcare, finance, and logistics. However, current tree induction methods often face limitations such as suboptimal solutions from greedy methods or prohibitive computational costs and limited applicability of exact optimization approaches. To address these challenges, we propose an evolutionary optimization method for decision tree induction based on genetic programming (GP). Our key innovation is the integration of semantic priors and domain-specific knowledge about the search space into the optimization algorithm. To this end, we introduce LLEGO, a framework that incorporates semantic priors into genetic search operators through the use of Large Language Models (LLMs), thereby enhancing search efficiency and targeting regions of the search space that yield decision trees with superior generalization performance. This is operationalized through novel genetic operators that work with structured natural language prompts, effectively utilizing LLMs as conditional generative models and sources of semantic knowledge. Specifically, we introduce fitness-guided crossover to exploit high-performing regions, and diversity-guided mutation for efficient global exploration of the search space. These operators are controlled by corresponding hyperparameters that enable a more nuanced balance between exploration and exploitation across the search space. Empirically, we demonstrate across various benchmarks that LLEGO evolves superior-performing trees compared to existing tree induction methods, and exhibits significantly more efficient search performance compared to conventional GP approaches.

  • 3 authors
·
Mar 18

OmniHuman-1.5: Instilling an Active Mind in Avatars via Cognitive Simulation

Existing video avatar models can produce fluid human animations, yet they struggle to move beyond mere physical likeness to capture a character's authentic essence. Their motions typically synchronize with low-level cues like audio rhythm, lacking a deeper semantic understanding of emotion, intent, or context. To bridge this gap, we propose a framework designed to generate character animations that are not only physically plausible but also semantically coherent and expressive. Our model, OmniHuman-1.5, is built upon two key technical contributions. First, we leverage Multimodal Large Language Models to synthesize a structured textual representation of conditions that provides high-level semantic guidance. This guidance steers our motion generator beyond simplistic rhythmic synchronization, enabling the production of actions that are contextually and emotionally resonant. Second, to ensure the effective fusion of these multimodal inputs and mitigate inter-modality conflicts, we introduce a specialized Multimodal DiT architecture with a novel Pseudo Last Frame design. The synergy of these components allows our model to accurately interpret the joint semantics of audio, images, and text, thereby generating motions that are deeply coherent with the character, scene, and linguistic content. Extensive experiments demonstrate that our model achieves leading performance across a comprehensive set of metrics, including lip-sync accuracy, video quality, motion naturalness and semantic consistency with textual prompts. Furthermore, our approach shows remarkable extensibility to complex scenarios, such as those involving multi-person and non-human subjects. Homepage: https://omnihuman-lab.github.io/v1_5/

  • 9 authors
·
Aug 26 2

UniControl: A Unified Diffusion Model for Controllable Visual Generation In the Wild

Achieving machine autonomy and human control often represent divergent objectives in the design of interactive AI systems. Visual generative foundation models such as Stable Diffusion show promise in navigating these goals, especially when prompted with arbitrary languages. However, they often fall short in generating images with spatial, structural, or geometric controls. The integration of such controls, which can accommodate various visual conditions in a single unified model, remains an unaddressed challenge. In response, we introduce UniControl, a new generative foundation model that consolidates a wide array of controllable condition-to-image (C2I) tasks within a singular framework, while still allowing for arbitrary language prompts. UniControl enables pixel-level-precise image generation, where visual conditions primarily influence the generated structures and language prompts guide the style and context. To equip UniControl with the capacity to handle diverse visual conditions, we augment pretrained text-to-image diffusion models and introduce a task-aware HyperNet to modulate the diffusion models, enabling the adaptation to different C2I tasks simultaneously. Trained on nine unique C2I tasks, UniControl demonstrates impressive zero-shot generation abilities with unseen visual conditions. Experimental results show that UniControl often surpasses the performance of single-task-controlled methods of comparable model sizes. This control versatility positions UniControl as a significant advancement in the realm of controllable visual generation.

  • 13 authors
·
May 18, 2023 1

Nautilus: Locality-aware Autoencoder for Scalable Mesh Generation

Triangle meshes are fundamental to 3D applications, enabling efficient modification and rasterization while maintaining compatibility with standard rendering pipelines. However, current automatic mesh generation methods typically rely on intermediate representations that lack the continuous surface quality inherent to meshes. Converting these representations into meshes produces dense, suboptimal outputs. Although recent autoregressive approaches demonstrate promise in directly modeling mesh vertices and faces, they are constrained by the limitation in face count, scalability, and structural fidelity. To address these challenges, we propose Nautilus, a locality-aware autoencoder for artist-like mesh generation that leverages the local properties of manifold meshes to achieve structural fidelity and efficient representation. Our approach introduces a novel tokenization algorithm that preserves face proximity relationships and compresses sequence length through locally shared vertices and edges, enabling the generation of meshes with an unprecedented scale of up to 5,000 faces. Furthermore, we develop a Dual-stream Point Conditioner that provides multi-scale geometric guidance, ensuring global consistency and local structural fidelity by capturing fine-grained geometric features. Extensive experiments demonstrate that Nautilus significantly outperforms state-of-the-art methods in both fidelity and scalability. The project page is at https://nautilusmeshgen.github.io.

  • 9 authors
·
Jan 24

TradingGroup: A Multi-Agent Trading System with Self-Reflection and Data-Synthesis

Recent advancements in large language models (LLMs) have enabled powerful agent-based applications in finance, particularly for sentiment analysis, financial report comprehension, and stock forecasting. However, existing systems often lack inter-agent coordination, structured self-reflection, and access to high-quality, domain-specific post-training data such as data from trading activities including both market conditions and agent decisions. These data are crucial for agents to understand the market dynamics, improve the quality of decision-making and promote effective coordination. We introduce TradingGroup, a multi-agent trading system designed to address these limitations through a self-reflective architecture and an end-to-end data-synthesis pipeline. TradingGroup consists of specialized agents for news sentiment analysis, financial report interpretation, stock trend forecasting, trading style adaptation, and a trading decision making agent that merges all signals and style preferences to produce buy, sell or hold decisions. Specifically, we design self-reflection mechanisms for the stock forecasting, style, and decision-making agents to distill past successes and failures for similar reasoning in analogous future scenarios and a dynamic risk-management model to offer configurable dynamic stop-loss and take-profit mechanisms. In addition, TradingGroup embeds an automated data-synthesis and annotation pipeline that generates high-quality post-training data for further improving the agent performance through post-training. Our backtesting experiments across five real-world stock datasets demonstrate TradingGroup's superior performance over rule-based, machine learning, reinforcement learning, and existing LLM-based trading strategies.

  • 3 authors
·
Aug 24

RPGBENCH: Evaluating Large Language Models as Role-Playing Game Engines

We present RPGBench, the first benchmark designed to evaluate large language models (LLMs) as text-based role-playing game (RPG) engines. RPGBench comprises two core tasks: Game Creation (GC) and Game Simulation (GS). In GC, an LLM must craft a valid and playable RPG world using a structured event-state representation, ensuring logical coherence and proper termination conditions. In GS, the LLM simulates interactive gameplay across multiple rounds while consistently updating states and enforcing game rules. To comprehensively assess performance, RPGBench integrates objective and subjective evaluation methodologies. Objective measures verify adherence to event mechanics and check variable updates without requiring human intervention. Subjective measures, such as content interestingness, action quality, and role-playing capability, are evaluated via an LLM-as-a-judge framework, where a strong LLM grades each candidate's outputs. Empirical results demonstrate that state-of-the-art LLMs can produce engaging stories but often struggle to implement consistent, verifiable game mechanics, particularly in long or complex scenarios. By combining structured, rule-based assessments with LLM-based judgments, RPGBench provides a new standard for evaluating how well LLMs can balance creativity, coherence, and complexity in text-based RPGs, opening avenues for more immersive and controllable interactive storytelling.

  • 11 authors
·
Feb 1

Tencent Hunyuan3D-1.0: A Unified Framework for Text-to-3D and Image-to-3D Generation

While 3D generative models have greatly improved artists' workflows, the existing diffusion models for 3D generation suffer from slow generation and poor generalization. To address this issue, we propose a two-stage approach named Hunyuan3D-1.0 including a lite version and a standard version, that both support text- and image-conditioned generation. In the first stage, we employ a multi-view diffusion model that efficiently generates multi-view RGB in approximately 4 seconds. These multi-view images capture rich details of the 3D asset from different viewpoints, relaxing the tasks from single-view to multi-view reconstruction. In the second stage, we introduce a feed-forward reconstruction model that rapidly and faithfully reconstructs the 3D asset given the generated multi-view images in approximately 7 seconds. The reconstruction network learns to handle noises and in-consistency introduced by the multi-view diffusion and leverages the available information from the condition image to efficiently recover the 3D structure. Our framework involves the text-to-image model, i.e., Hunyuan-DiT, making it a unified framework to support both text- and image-conditioned 3D generation. Our standard version has 3x more parameters than our lite and other existing model. Our Hunyuan3D-1.0 achieves an impressive balance between speed and quality, significantly reducing generation time while maintaining the quality and diversity of the produced assets.

  • 18 authors
·
Nov 4, 2024

Fine-Tuning Discrete Diffusion Models via Reward Optimization with Applications to DNA and Protein Design

Recent studies have demonstrated the strong empirical performance of diffusion models on discrete sequences across domains from natural language to biological sequence generation. For example, in the protein inverse folding task, conditional diffusion models have achieved impressive results in generating natural-like sequences that fold back into the original structure. However, practical design tasks often require not only modeling a conditional distribution but also optimizing specific task objectives. For instance, we may prefer protein sequences with high stability. To address this, we consider the scenario where we have pre-trained discrete diffusion models that can generate natural-like sequences, as well as reward models that map sequences to task objectives. We then formulate the reward maximization problem within discrete diffusion models, analogous to reinforcement learning (RL), while minimizing the KL divergence against pretrained diffusion models to preserve naturalness. To solve this RL problem, we propose a novel algorithm, DRAKES, that enables direct backpropagation of rewards through entire trajectories generated by diffusion models, by making the originally non-differentiable trajectories differentiable using the Gumbel-Softmax trick. Our theoretical analysis indicates that our approach can generate sequences that are both natural-like and yield high rewards. While similar tasks have been recently explored in diffusion models for continuous domains, our work addresses unique algorithmic and theoretical challenges specific to discrete diffusion models, which arise from their foundation in continuous-time Markov chains rather than Brownian motion. Finally, we demonstrate the effectiveness of DRAKES in generating DNA and protein sequences that optimize enhancer activity and protein stability, respectively, important tasks for gene therapies and protein-based therapeutics.

  • 10 authors
·
Oct 17, 2024

Efficient Unified Demosaicing for Bayer and Non-Bayer Patterned Image Sensors

As the physical size of recent CMOS image sensors (CIS) gets smaller, the latest mobile cameras are adopting unique non-Bayer color filter array (CFA) patterns (e.g., Quad, Nona, QxQ), which consist of homogeneous color units with adjacent pixels. These non-Bayer sensors are superior to conventional Bayer CFA thanks to their changeable pixel-bin sizes for different light conditions but may introduce visual artifacts during demosaicing due to their inherent pixel pattern structures and sensor hardware characteristics. Previous demosaicing methods have primarily focused on Bayer CFA, necessitating distinct reconstruction methods for non-Bayer patterned CIS with various CFA modes under different lighting conditions. In this work, we propose an efficient unified demosaicing method that can be applied to both conventional Bayer RAW and various non-Bayer CFAs' RAW data in different operation modes. Our Knowledge Learning-based demosaicing model for Adaptive Patterns, namely KLAP, utilizes CFA-adaptive filters for only 1% key filters in the network for each CFA, but still manages to effectively demosaic all the CFAs, yielding comparable performance to the large-scale models. Furthermore, by employing meta-learning during inference (KLAP-M), our model is able to eliminate unknown sensor-generic artifacts in real RAW data, effectively bridging the gap between synthetic images and real sensor RAW. Our KLAP and KLAP-M methods achieved state-of-the-art demosaicing performance in both synthetic and real RAW data of Bayer and non-Bayer CFAs.

  • 7 authors
·
Jul 20, 2023

Is Chain-of-Thought Reasoning of LLMs a Mirage? A Data Distribution Lens

Chain-of-Thought (CoT) prompting has been shown to improve Large Language Model (LLM) performance on various tasks. With this approach, LLMs appear to produce human-like reasoning steps before providing answers (a.k.a., CoT reasoning), which often leads to the perception that they engage in deliberate inferential processes. However, some initial findings suggest that CoT reasoning may be more superficial than it appears, motivating us to explore further. In this paper, we study CoT reasoning via a data distribution lens and investigate if CoT reasoning reflects a structured inductive bias learned from in-distribution data, allowing the model to conditionally generate reasoning paths that approximate those seen during training. Thus, its effectiveness is fundamentally bounded by the degree of distribution discrepancy between the training data and the test queries. With this lens, we dissect CoT reasoning via three dimensions: task, length, and format. To investigate each dimension, we design DataAlchemy, an isolated and controlled environment to train LLMs from scratch and systematically probe them under various distribution conditions. Our results reveal that CoT reasoning is a brittle mirage that vanishes when it is pushed beyond training distributions. This work offers a deeper understanding of why and when CoT reasoning fails, emphasizing the ongoing challenge of achieving genuine and generalizable reasoning.

AlphaOPT: Formulating Optimization Programs with Self-Improving LLM Experience Library

Optimization modeling enables critical decisions across industries but remains difficult to automate: informal language must be mapped to precise mathematical formulations and executable solver code. Prior LLM approaches either rely on brittle prompting or costly retraining with limited generalization. We present AlphaOPT, a self-improving experience library that enables an LLM to learn from limited demonstrations (even answers alone, without gold-standard programs) and solver feedback - without annotated reasoning traces or parameter updates. AlphaOPT operates in a continual two-phase cycle: (i) a Library Learning phase that reflects on failed attempts, extracting solver-verified, structured insights as {taxonomy, condition, explanation, example}; and (ii) a Library Evolution phase that diagnoses retrieval misalignments and refines the applicability conditions of stored insights, improving transfer across tasks. This design (1) learns efficiently from limited demonstrations without curated rationales, (2) expands continually without costly retraining by updating the library rather than model weights, and (3) makes knowledge explicit and interpretable for human inspection and intervention. Experiments show that AlphaOPT steadily improves with more data (65% to 72% from 100 to 300 training items) and surpasses the strongest baseline by 7.7% on the out-of-distribution OptiBench dataset when trained only on answers. Code and data are available at: https://github.com/Minw913/AlphaOPT.

Conda: Column-Normalized Adam for Training Large Language Models Faster

Large language models (LLMs) have demonstrated impressive generalization and emergent capabilities, yet their pre-training remains computationally expensive and sensitive to optimization dynamics. While Adam-based optimizers offer fast convergence by adapting learning rates coordinate-wise, recent studies reveal that their updates often suffer from poor spectral conditioning and low-rank structures, hindering efficiency. Muon addresses this issue via global spectral normalization but lacks the per-coordinate adaptivity of Adam. In this work, we propose Column-Normalized Adam (Conda), a novel optimizer that bridges the strengths of both approaches. Conda projects updates into an orthogonal subspace and applies column-wise second moment normalization based on the projected gradients, thereby achieving both improved spectral conditioning and maintaining coordinate-wise adaptivity. This design alleviates the spectral pathologies of Adam while preserving its fast convergence behavior. Extensive experiments on the LLaMA and GPT-2 series show that Conda consistently outperforms AdamW, Muon, and other baselines in pre-training. Remarkably, on the LLaMA series, Conda achieves 2-2.5 the convergence speed of AdamW, measured in both training steps and training time. Further ablations demonstrate its robustness under diverse training setups. These results collectively highlight Conda as an effective and broadly applicable optimizer for large-scale LLM training. The code is released on https://github.com/jie040109/Conda

  • 9 authors
·
Sep 28

PRAD: Periapical Radiograph Analysis Dataset and Benchmark Model Development

Deep learning (DL), a pivotal technology in artificial intelligence, has recently gained substantial traction in the domain of dental auxiliary diagnosis. However, its application has predominantly been confined to imaging modalities such as panoramic radiographs and Cone Beam Computed Tomography, with limited focus on auxiliary analysis specifically targeting Periapical Radiographs (PR). PR are the most extensively utilized imaging modality in endodontics and periodontics due to their capability to capture detailed local lesions at a low cost. Nevertheless, challenges such as resolution limitations and artifacts complicate the annotation and recognition of PR, leading to a scarcity of publicly available, large-scale, high-quality PR analysis datasets. This scarcity has somewhat impeded the advancement of DL applications in PR analysis. In this paper, we present PRAD-10K, a dataset for PR analysis. PRAD-10K comprises 10,000 clinical periapical radiograph images, with pixel-level annotations provided by professional dentists for nine distinct anatomical structures, lesions, and artificial restorations or medical devices, We also include classification labels for images with typical conditions or lesions. Furthermore, we introduce a DL network named PRNet to establish benchmarks for PR segmentation tasks. Experimental results demonstrate that PRNet surpasses previous state-of-the-art medical image segmentation models on the PRAD-10K dataset. The codes and dataset will be made publicly available.

  • 5 authors
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Apr 10

E-SQL: Direct Schema Linking via Question Enrichment in Text-to-SQL

Translating Natural Language Queries into Structured Query Language (Text-to-SQL or NLQ-to-SQL) is a critical task extensively studied by both the natural language processing and database communities, aimed at providing a natural language interface to databases (NLIDB) and lowering the barrier for non-experts. Despite recent advancements made through the use of Large Language Models (LLMs), significant challenges remain. These include handling complex database schemas, resolving ambiguity in user queries, and generating SQL queries with intricate structures that accurately reflect the user's intent. In this work, we introduce E-SQL, a novel pipeline specifically designed to address these challenges through direct schema linking and candidate predicate augmentation. E-SQL enhances the natural language query by incorporating relevant database items (i.e., tables, columns, and values) and conditions directly into the question and SQL construction plan, bridging the gap between the query and the database structure. The pipeline leverages candidate predicate augmentation to mitigate erroneous or incomplete predicates in generated SQLs. Comprehensive evaluations on the BIRD benchmark illustrate that E-SQL achieves competitive performance, particularly excelling in complex queries with a 66.29% execution accuracy on the test set. A further observation from our experiments reveals that incorporating schema filtering into the translation pipeline does not have a positive impact on performance when the most advanced proprietary LLMs are used. Additionally, our experiments with small LLMs highlight the importance and positive impact of enriched questions on their performance. Without fine-tuning, single-prompt SQL generation using enriched questions with DeepSeek Coder 7B Instruct 1.5v achieves 56.45% execution accuracy on the BIRD development set.

  • 2 authors
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Sep 25, 2024

PaccMann$^{RL}$: Designing anticancer drugs from transcriptomic data via reinforcement learning

With the advent of deep generative models in computational chemistry, in silico anticancer drug design has undergone an unprecedented transformation. While state-of-the-art deep learning approaches have shown potential in generating compounds with desired chemical properties, they disregard the genetic profile and properties of the target disease. Here, we introduce the first generative model capable of tailoring anticancer compounds for a specific biomolecular profile. Using a RL framework, the transcriptomic profiles of cancer cells are used as a context for the generation of candidate molecules. Our molecule generator combines two separately pretrained variational autoencoders (VAEs) - the first VAE encodes transcriptomic profiles into a smooth, latent space which in turn is used to condition a second VAE to generate novel molecular structures on the given transcriptomic profile. The generative process is optimized through PaccMann, a previously developed drug sensitivity prediction model to obtain effective anticancer compounds for the given context (i.e., transcriptomic profile). We demonstrate how the molecule generation can be biased towards compounds with high predicted inhibitory effect against individual cell lines or specific cancer sites. We verify our approach by investigating candidate drugs generated against specific cancer types and find the highest structural similarity to existing compounds with known efficacy against these cancer types. We envision our approach to transform in silico anticancer drug design by leveraging the biomolecular characteristics of the disease in order to increase success rates in lead compound discovery.

  • 6 authors
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Aug 29, 2019

CodeAgents: A Token-Efficient Framework for Codified Multi-Agent Reasoning in LLMs

Effective prompt design is essential for improving the planning capabilities of large language model (LLM)-driven agents. However, existing structured prompting strategies are typically limited to single-agent, plan-only settings, and often evaluate performance solely based on task accuracy - overlooking critical factors such as token efficiency, modularity, and scalability in multi-agent environments. To address these limitations, we introduce CodeAgents, a prompting framework that codifies multi-agent reasoning and enables structured, token-efficient planning in multi-agent systems. In CodeAgents, all components of agent interaction - Task, Plan, Feedback, system roles, and external tool invocations - are codified into modular pseudocode enriched with control structures (e.g., loops, conditionals), boolean logic, and typed variables. This design transforms loosely connected agent plans into cohesive, interpretable, and verifiable multi-agent reasoning programs. We evaluate the proposed framework across three diverse benchmarks - GAIA, HotpotQA, and VirtualHome - using a range of representative LLMs. Results show consistent improvements in planning performance, with absolute gains of 3-36 percentage points over natural language prompting baselines. On VirtualHome, our method achieves a new state-of-the-art success rate of 56%. In addition, our approach reduces input and output token usage by 55-87% and 41-70%, respectively, underscoring the importance of token-aware evaluation metrics in the development of scalable multi-agent LLM systems. The code and resources are available at: https://anonymous.4open.science/r/CodifyingAgent-5A86

  • 6 authors
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Jul 3

Chasing Day and Night: Towards Robust and Efficient All-Day Object Detection Guided by an Event Camera

The ability to detect objects in all lighting (i.e., normal-, over-, and under-exposed) conditions is crucial for real-world applications, such as self-driving.Traditional RGB-based detectors often fail under such varying lighting conditions.Therefore, recent works utilize novel event cameras to supplement or guide the RGB modality; however, these methods typically adopt asymmetric network structures that rely predominantly on the RGB modality, resulting in limited robustness for all-day detection. In this paper, we propose EOLO, a novel object detection framework that achieves robust and efficient all-day detection by fusing both RGB and event modalities. Our EOLO framework is built based on a lightweight spiking neural network (SNN) to efficiently leverage the asynchronous property of events. Buttressed by it, we first introduce an Event Temporal Attention (ETA) module to learn the high temporal information from events while preserving crucial edge information. Secondly, as different modalities exhibit varying levels of importance under diverse lighting conditions, we propose a novel Symmetric RGB-Event Fusion (SREF) module to effectively fuse RGB-Event features without relying on a specific modality, thus ensuring a balanced and adaptive fusion for all-day detection. In addition, to compensate for the lack of paired RGB-Event datasets for all-day training and evaluation, we propose an event synthesis approach based on the randomized optical flow that allows for directly generating the event frame from a single exposure image. We further build two new datasets, E-MSCOCO and E-VOC based on the popular benchmarks MSCOCO and PASCAL VOC. Extensive experiments demonstrate that our EOLO outperforms the state-of-the-art detectors,e.g.,RENet,by a substantial margin (+3.74% mAP50) in all lighting conditions.Our code and datasets will be available at https://vlislab22.github.io/EOLO/

  • 6 authors
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Sep 17, 2023

Provable Scaling Laws of Feature Emergence from Learning Dynamics of Grokking

While the phenomenon of grokking, i.e., delayed generalization, has been studied extensively, it remains an open problem whether there is a mathematical framework that characterizes what kind of features will emerge, how and in which conditions it happens, and is closely related to the gradient dynamics of the training, for complex structured inputs. We propose a novel framework, named Li_2, that captures three key stages for the grokking behavior of 2-layer nonlinear networks: (I) \textbf{L}azy learning, (II) \textbf{i}ndependent feature learning and (III) \textbf{i}nteractive feature learning. At the lazy learning stage, top layer overfits to random hidden representation and the model appears to memorize. Thanks to lazy learning and weight decay, the backpropagated gradient G_F from the top layer now carries information about the target label, with a specific structure that enables each hidden node to learn their representation independently. Interestingly, the independent dynamics follows exactly the gradient ascent of an energy function E, and its local maxima are precisely the emerging features. We study whether these local-optima induced features are generalizable, their representation power, and how they change on sample size, in group arithmetic tasks. When hidden nodes start to interact in the later stage of learning, we provably show how G_F changes to focus on missing features that need to be learned. Our study sheds lights on roles played by key hyperparameters such as weight decay, learning rate and sample sizes in grokking, leads to provable scaling laws of feature emergence, memorization and generalization, and reveals the underlying cause why recent optimizers such as Muon can be effective, from the first principles of gradient dynamics. Our analysis can be extended to multi-layer architectures.

  • 1 authors
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Sep 25