new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Sep 10

Fine-structure Preserved Real-world Image Super-resolution via Transfer VAE Training

Impressive results on real-world image super-resolution (Real-ISR) have been achieved by employing pre-trained stable diffusion (SD) models. However, one critical issue of such methods lies in their poor reconstruction of image fine structures, such as small characters and textures, due to the aggressive resolution reduction of the VAE (eg., 8times downsampling) in the SD model. One solution is to employ a VAE with a lower downsampling rate for diffusion; however, adapting its latent features with the pre-trained UNet while mitigating the increased computational cost poses new challenges. To address these issues, we propose a Transfer VAE Training (TVT) strategy to transfer the 8times downsampled VAE into a 4times one while adapting to the pre-trained UNet. Specifically, we first train a 4times decoder based on the output features of the original VAE encoder, then train a 4times encoder while keeping the newly trained decoder fixed. Such a TVT strategy aligns the new encoder-decoder pair with the original VAE latent space while enhancing image fine details. Additionally, we introduce a compact VAE and compute-efficient UNet by optimizing their network architectures, reducing the computational cost while capturing high-resolution fine-scale features. Experimental results demonstrate that our TVT method significantly improves fine-structure preservation, which is often compromised by other SD-based methods, while requiring fewer FLOPs than state-of-the-art one-step diffusion models. The official code can be found at https://github.com/Joyies/TVT.

LAFR: Efficient Diffusion-based Blind Face Restoration via Latent Codebook Alignment Adapter

Blind face restoration from low-quality (LQ) images is a challenging task that requires not only high-fidelity image reconstruction but also the preservation of facial identity. While diffusion models like Stable Diffusion have shown promise in generating high-quality (HQ) images, their VAE modules are typically trained only on HQ data, resulting in semantic misalignment when encoding LQ inputs. This mismatch significantly weakens the effectiveness of LQ conditions during the denoising process. Existing approaches often tackle this issue by retraining the VAE encoder, which is computationally expensive and memory-intensive. To address this limitation efficiently, we propose LAFR (Latent Alignment for Face Restoration), a novel codebook-based latent space adapter that aligns the latent distribution of LQ images with that of HQ counterparts, enabling semantically consistent diffusion sampling without altering the original VAE. To further enhance identity preservation, we introduce a multi-level restoration loss that combines constraints from identity embeddings and facial structural priors. Additionally, by leveraging the inherent structural regularity of facial images, we show that lightweight finetuning of diffusion prior on just 0.9% of FFHQ dataset is sufficient to achieve results comparable to state-of-the-art methods, reduce training time by 70%. Extensive experiments on both synthetic and real-world face restoration benchmarks demonstrate the effectiveness and efficiency of LAFR, achieving high-quality, identity-preserving face reconstruction from severely degraded inputs.

CAM-Seg: A Continuous-valued Embedding Approach for Semantic Image Generation

Traditional transformer-based semantic segmentation relies on quantized embeddings. However, our analysis reveals that autoencoder accuracy on segmentation mask using quantized embeddings (e.g. VQ-VAE) is 8% lower than continuous-valued embeddings (e.g. KL-VAE). Motivated by this, we propose a continuous-valued embedding framework for semantic segmentation. By reformulating semantic mask generation as a continuous image-to-embedding diffusion process, our approach eliminates the need for discrete latent representations while preserving fine-grained spatial and semantic details. Our key contribution includes a diffusion-guided autoregressive transformer that learns a continuous semantic embedding space by modeling long-range dependencies in image features. Our framework contains a unified architecture combining a VAE encoder for continuous feature extraction, a diffusion-guided transformer for conditioned embedding generation, and a VAE decoder for semantic mask reconstruction. Our setting facilitates zero-shot domain adaptation capabilities enabled by the continuity of the embedding space. Experiments across diverse datasets (e.g., Cityscapes and domain-shifted variants) demonstrate state-of-the-art robustness to distribution shifts, including adverse weather (e.g., fog, snow) and viewpoint variations. Our model also exhibits strong noise resilience, achieving robust performance (approx 95% AP compared to baseline) under gaussian noise, moderate motion blur, and moderate brightness/contrast variations, while experiencing only a moderate impact (approx 90% AP compared to baseline) from 50% salt and pepper noise, saturation and hue shifts. Code available: https://github.com/mahmed10/CAMSS.git

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/.

Qwen-Image Technical Report

We present Qwen-Image, an image generation foundation model in the Qwen series that achieves significant advances in complex text rendering and precise image editing. To address the challenges of complex text rendering, we design a comprehensive data pipeline that includes large-scale data collection, filtering, annotation, synthesis, and balancing. Moreover, we adopt a progressive training strategy that starts with non-text-to-text rendering, evolves from simple to complex textual inputs, and gradually scales up to paragraph-level descriptions. This curriculum learning approach substantially enhances the model's native text rendering capabilities. As a result, Qwen-Image not only performs exceptionally well in alphabetic languages such as English, but also achieves remarkable progress on more challenging logographic languages like Chinese. To enhance image editing consistency, we introduce an improved multi-task training paradigm that incorporates not only traditional text-to-image (T2I) and text-image-to-image (TI2I) tasks but also image-to-image (I2I) reconstruction, effectively aligning the latent representations between Qwen2.5-VL and MMDiT. Furthermore, we separately feed the original image into Qwen2.5-VL and the VAE encoder to obtain semantic and reconstructive representations, respectively. This dual-encoding mechanism enables the editing module to strike a balance between preserving semantic consistency and maintaining visual fidelity. Qwen-Image achieves state-of-the-art performance, demonstrating its strong capabilities in both image generation and editing across multiple benchmarks.

Adversarial Diffusion Compression for Real-World Image Super-Resolution

Real-world image super-resolution (Real-ISR) aims to reconstruct high-resolution images from low-resolution inputs degraded by complex, unknown processes. While many Stable Diffusion (SD)-based Real-ISR methods have achieved remarkable success, their slow, multi-step inference hinders practical deployment. Recent SD-based one-step networks like OSEDiff and S3Diff alleviate this issue but still incur high computational costs due to their reliance on large pretrained SD models. This paper proposes a novel Real-ISR method, AdcSR, by distilling the one-step diffusion network OSEDiff into a streamlined diffusion-GAN model under our Adversarial Diffusion Compression (ADC) framework. We meticulously examine the modules of OSEDiff, categorizing them into two types: (1) Removable (VAE encoder, prompt extractor, text encoder, etc.) and (2) Prunable (denoising UNet and VAE decoder). Since direct removal and pruning can degrade the model's generation capability, we pretrain our pruned VAE decoder to restore its ability to decode images and employ adversarial distillation to compensate for performance loss. This ADC-based diffusion-GAN hybrid design effectively reduces complexity by 73% in inference time, 78% in computation, and 74% in parameters, while preserving the model's generation capability. Experiments manifest that our proposed AdcSR achieves competitive recovery quality on both synthetic and real-world datasets, offering up to 9.3times speedup over previous one-step diffusion-based methods. Code and models are available at https://github.com/Guaishou74851/AdcSR.

Enhancing High-Resolution 3D Generation through Pixel-wise Gradient Clipping

High-resolution 3D object generation remains a challenging task primarily due to the limited availability of comprehensive annotated training data. Recent advancements have aimed to overcome this constraint by harnessing image generative models, pretrained on extensive curated web datasets, using knowledge transfer techniques like Score Distillation Sampling (SDS). Efficiently addressing the requirements of high-resolution rendering often necessitates the adoption of latent representation-based models, such as the Latent Diffusion Model (LDM). In this framework, a significant challenge arises: To compute gradients for individual image pixels, it is necessary to backpropagate gradients from the designated latent space through the frozen components of the image model, such as the VAE encoder used within LDM. However, this gradient propagation pathway has never been optimized, remaining uncontrolled during training. We find that the unregulated gradients adversely affect the 3D model's capacity in acquiring texture-related information from the image generative model, leading to poor quality appearance synthesis. To address this overarching challenge, we propose an innovative operation termed Pixel-wise Gradient Clipping (PGC) designed for seamless integration into existing 3D generative models, thereby enhancing their synthesis quality. Specifically, we control the magnitude of stochastic gradients by clipping the pixel-wise gradients efficiently, while preserving crucial texture-related gradient directions. Despite this simplicity and minimal extra cost, extensive experiments demonstrate the efficacy of our PGC in enhancing the performance of existing 3D generative models for high-resolution object rendering.

Learn to Sing by Listening: Building Controllable Virtual Singer by Unsupervised Learning from Voice Recordings

The virtual world is being established in which digital humans are created indistinguishable from real humans. Producing their audio-related capabilities is crucial since voice conveys extensive personal characteristics. We aim to create a controllable audio-form virtual singer; however, supervised modeling and controlling all different factors of the singing voice, such as timbre, tempo, pitch, and lyrics, is extremely difficult since accurately labeling all such information needs enormous labor work. In this paper, we propose a framework that could digitize a person's voice by simply "listening" to the clean voice recordings of any content in a fully unsupervised manner and predict singing voices even only using speaking recordings. A variational auto-encoder (VAE) based framework is developed, which leverages a set of pre-trained models to encode the audio as various hidden embeddings representing different factors of the singing voice, and further decodes the embeddings into raw audio. By manipulating the hidden embeddings for different factors, the resulting singing voices can be controlled, and new virtual singers can also be further generated by interpolating between timbres. Evaluations of different types of experiments demonstrate the proposed method's effectiveness. The proposed method is the critical technique for producing the AI choir, which empowered the human-AI symbiotic orchestra in Hong Kong in July 2022.

Annotation-Efficient Learning for Medical Image Segmentation based on Noisy Pseudo Labels and Adversarial Learning

Despite that deep learning has achieved state-of-the-art performance for medical image segmentation, its success relies on a large set of manually annotated images for training that are expensive to acquire. In this paper, we propose an annotation-efficient learning framework for segmentation tasks that avoids annotations of training images, where we use an improved Cycle-Consistent Generative Adversarial Network (GAN) to learn from a set of unpaired medical images and auxiliary masks obtained either from a shape model or public datasets. We first use the GAN to generate pseudo labels for our training images under the implicit high-level shape constraint represented by a Variational Auto-encoder (VAE)-based discriminator with the help of the auxiliary masks, and build a Discriminator-guided Generator Channel Calibration (DGCC) module which employs our discriminator's feedback to calibrate the generator for better pseudo labels. To learn from the pseudo labels that are noisy, we further introduce a noise-robust iterative learning method using noise-weighted Dice loss. We validated our framework with two situations: objects with a simple shape model like optic disc in fundus images and fetal head in ultrasound images, and complex structures like lung in X-Ray images and liver in CT images. Experimental results demonstrated that 1) Our VAE-based discriminator and DGCC module help to obtain high-quality pseudo labels. 2) Our proposed noise-robust learning method can effectively overcome the effect of noisy pseudo labels. 3) The segmentation performance of our method without using annotations of training images is close or even comparable to that of learning from human annotations.

Ditto: Motion-Space Diffusion for Controllable Realtime Talking Head Synthesis

Recent advances in diffusion models have revolutionized audio-driven talking head synthesis. Beyond precise lip synchronization, diffusion-based methods excel in generating subtle expressions and natural head movements that are well-aligned with the audio signal. However, these methods are confronted by slow inference speed, insufficient fine-grained control over facial motions, and occasional visual artifacts largely due to an implicit latent space derived from Variational Auto-Encoders (VAE), which prevent their adoption in realtime interaction applications. To address these issues, we introduce Ditto, a diffusion-based framework that enables controllable realtime talking head synthesis. Our key innovation lies in bridging motion generation and photorealistic neural rendering through an explicit identity-agnostic motion space, replacing conventional VAE representations. This design substantially reduces the complexity of diffusion learning while enabling precise control over the synthesized talking heads. We further propose an inference strategy that jointly optimizes three key components: audio feature extraction, motion generation, and video synthesis. This optimization enables streaming processing, realtime inference, and low first-frame delay, which are the functionalities crucial for interactive applications such as AI assistants. Extensive experimental results demonstrate that Ditto generates compelling talking head videos and substantially outperforms existing methods in both motion control and realtime performance.

Generating Diverse Structure for Image Inpainting With Hierarchical VQ-VAE

Given an incomplete image without additional constraint, image inpainting natively allows for multiple solutions as long as they appear plausible. Recently, multiplesolution inpainting methods have been proposed and shown the potential of generating diverse results. However, these methods have difficulty in ensuring the quality of each solution, e.g. they produce distorted structure and/or blurry texture. We propose a two-stage model for diverse inpainting, where the first stage generates multiple coarse results each of which has a different structure, and the second stage refines each coarse result separately by augmenting texture. The proposed model is inspired by the hierarchical vector quantized variational auto-encoder (VQ-VAE), whose hierarchical architecture isentangles structural and textural information. In addition, the vector quantization in VQVAE enables autoregressive modeling of the discrete distribution over the structural information. Sampling from the distribution can easily generate diverse and high-quality structures, making up the first stage of our model. In the second stage, we propose a structural attention module inside the texture generation network, where the module utilizes the structural information to capture distant correlations. We further reuse the VQ-VAE to calculate two feature losses, which help improve structure coherence and texture realism, respectively. Experimental results on CelebA-HQ, Places2, and ImageNet datasets show that our method not only enhances the diversity of the inpainting solutions but also improves the visual quality of the generated multiple images. Code and models are available at: https://github.com/USTC-JialunPeng/Diverse-Structure-Inpainting.

Ultra-High-Resolution Image Synthesis: Data, Method and Evaluation

Ultra-high-resolution image synthesis holds significant potential, yet remains an underexplored challenge due to the absence of standardized benchmarks and computational constraints. In this paper, we establish Aesthetic-4K, a meticulously curated dataset containing dedicated training and evaluation subsets specifically designed for comprehensive research on ultra-high-resolution image synthesis. This dataset consists of high-quality 4K images accompanied by descriptive captions generated by GPT-4o. Furthermore, we propose Diffusion-4K, an innovative framework for the direct generation of ultra-high-resolution images. Our approach incorporates the Scale Consistent Variational Auto-Encoder (SC-VAE) and Wavelet-based Latent Fine-tuning (WLF), which are designed for efficient visual token compression and the capture of intricate details in ultra-high-resolution images, thereby facilitating direct training with photorealistic 4K data. This method is applicable to various latent diffusion models and demonstrates its efficacy in synthesizing highly detailed 4K images. Additionally, we propose novel metrics, namely the GLCM Score and Compression Ratio, to assess the texture richness and fine details in local patches, in conjunction with holistic measures such as FID, Aesthetics, and CLIPScore, enabling a thorough and multifaceted evaluation of ultra-high-resolution image synthesis. Consequently, Diffusion-4K achieves impressive performance in ultra-high-resolution image synthesis, particularly when powered by state-of-the-art large-scale diffusion models (eg, Flux-12B). The source code is publicly available at https://github.com/zhang0jhon/diffusion-4k.

Michelangelo: Conditional 3D Shape Generation based on Shape-Image-Text Aligned Latent Representation

We present a novel alignment-before-generation approach to tackle the challenging task of generating general 3D shapes based on 2D images or texts. Directly learning a conditional generative model from images or texts to 3D shapes is prone to producing inconsistent results with the conditions because 3D shapes have an additional dimension whose distribution significantly differs from that of 2D images and texts. To bridge the domain gap among the three modalities and facilitate multi-modal-conditioned 3D shape generation, we explore representing 3D shapes in a shape-image-text-aligned space. Our framework comprises two models: a Shape-Image-Text-Aligned Variational Auto-Encoder (SITA-VAE) and a conditional Aligned Shape Latent Diffusion Model (ASLDM). The former model encodes the 3D shapes into the shape latent space aligned to the image and text and reconstructs the fine-grained 3D neural fields corresponding to given shape embeddings via the transformer-based decoder. The latter model learns a probabilistic mapping function from the image or text space to the latent shape space. Our extensive experiments demonstrate that our proposed approach can generate higher-quality and more diverse 3D shapes that better semantically conform to the visual or textural conditional inputs, validating the effectiveness of the shape-image-text-aligned space for cross-modality 3D shape generation.

Direct3D: Scalable Image-to-3D Generation via 3D Latent Diffusion Transformer

Generating high-quality 3D assets from text and images has long been challenging, primarily due to the absence of scalable 3D representations capable of capturing intricate geometry distributions. In this work, we introduce Direct3D, a native 3D generative model scalable to in-the-wild input images, without requiring a multiview diffusion model or SDS optimization. Our approach comprises two primary components: a Direct 3D Variational Auto-Encoder (D3D-VAE) and a Direct 3D Diffusion Transformer (D3D-DiT). D3D-VAE efficiently encodes high-resolution 3D shapes into a compact and continuous latent triplane space. Notably, our method directly supervises the decoded geometry using a semi-continuous surface sampling strategy, diverging from previous methods relying on rendered images as supervision signals. D3D-DiT models the distribution of encoded 3D latents and is specifically designed to fuse positional information from the three feature maps of the triplane latent, enabling a native 3D generative model scalable to large-scale 3D datasets. Additionally, we introduce an innovative image-to-3D generation pipeline incorporating semantic and pixel-level image conditions, allowing the model to produce 3D shapes consistent with the provided conditional image input. Extensive experiments demonstrate the superiority of our large-scale pre-trained Direct3D over previous image-to-3D approaches, achieving significantly better generation quality and generalization ability, thus establishing a new state-of-the-art for 3D content creation. Project page: https://nju-3dv.github.io/projects/Direct3D/.

Beyond Vanilla Variational Autoencoders: Detecting Posterior Collapse in Conditional and Hierarchical Variational Autoencoders

The posterior collapse phenomenon in variational autoencoder (VAE), where the variational posterior distribution closely matches the prior distribution, can hinder the quality of the learned latent variables. As a consequence of posterior collapse, the latent variables extracted by the encoder in VAE preserve less information from the input data and thus fail to produce meaningful representations as input to the reconstruction process in the decoder. While this phenomenon has been an actively addressed topic related to VAE performance, the theory for posterior collapse remains underdeveloped, especially beyond the standard VAE. In this work, we advance the theoretical understanding of posterior collapse to two important and prevalent yet less studied classes of VAE: conditional VAE and hierarchical VAE. Specifically, via a non-trivial theoretical analysis of linear conditional VAE and hierarchical VAE with two levels of latent, we prove that the cause of posterior collapses in these models includes the correlation between the input and output of the conditional VAE and the effect of learnable encoder variance in the hierarchical VAE. We empirically validate our theoretical findings for linear conditional and hierarchical VAE and demonstrate that these results are also predictive for non-linear cases with extensive experiments.

Hi-VAE: Efficient Video Autoencoding with Global and Detailed Motion

Recent breakthroughs in video autoencoders (Video AEs) have advanced video generation, but existing methods fail to efficiently model spatio-temporal redundancies in dynamics, resulting in suboptimal compression factors. This shortfall leads to excessive training costs for downstream tasks. To address this, we introduce Hi-VAE, an efficient video autoencoding framework that hierarchically encode coarse-to-fine motion representations of video dynamics and formulate the decoding process as a conditional generation task. Specifically, Hi-VAE decomposes video dynamics into two latent spaces: Global Motion, capturing overarching motion patterns, and Detailed Motion, encoding high-frequency spatial details. Using separate self-supervised motion encoders, we compress video latents into compact motion representations to reduce redundancy significantly. A conditional diffusion decoder then reconstructs videos by combining hierarchical global and detailed motions, enabling high-fidelity video reconstructions. Extensive experiments demonstrate that Hi-VAE achieves a high compression factor of 1428times, almost 30times higher than baseline methods (e.g., Cosmos-VAE at 48times), validating the efficiency of our approach. Meanwhile, Hi-VAE maintains high reconstruction quality at such high compression rates and performs effectively in downstream generative tasks. Moreover, Hi-VAE exhibits interpretability and scalability, providing new perspectives for future exploration in video latent representation and generation.

Hyper3D: Efficient 3D Representation via Hybrid Triplane and Octree Feature for Enhanced 3D Shape Variational Auto-Encoders

Recent 3D content generation pipelines often leverage Variational Autoencoders (VAEs) to encode shapes into compact latent representations, facilitating diffusion-based generation. Efficiently compressing 3D shapes while preserving intricate geometric details remains a key challenge. Existing 3D shape VAEs often employ uniform point sampling and 1D/2D latent representations, such as vector sets or triplanes, leading to significant geometric detail loss due to inadequate surface coverage and the absence of explicit 3D representations in the latent space. Although recent work explores 3D latent representations, their large scale hinders high-resolution encoding and efficient training. Given these challenges, we introduce Hyper3D, which enhances VAE reconstruction through efficient 3D representation that integrates hybrid triplane and octree features. First, we adopt an octree-based feature representation to embed mesh information into the network, mitigating the limitations of uniform point sampling in capturing geometric distributions along the mesh surface. Furthermore, we propose a hybrid latent space representation that integrates a high-resolution triplane with a low-resolution 3D grid. This design not only compensates for the lack of explicit 3D representations but also leverages a triplane to preserve high-resolution details. Experimental results demonstrate that Hyper3D outperforms traditional representations by reconstructing 3D shapes with higher fidelity and finer details, making it well-suited for 3D generation pipelines.

BEAST: Efficient Tokenization of B-Splines Encoded Action Sequences for Imitation Learning

We present the B-spline Encoded Action Sequence Tokenizer (BEAST), a novel action tokenizer that encodes action sequences into compact discrete or continuous tokens using B-splines. In contrast to existing action tokenizers based on vector quantization or byte pair encoding, BEAST requires no separate tokenizer training and consistently produces tokens of uniform length, enabling fast action sequence generation via parallel decoding. Leveraging our B-spline formulation, BEAST inherently ensures generating smooth trajectories without discontinuities between adjacent segments. We extensively evaluate BEAST by integrating it with three distinct model architectures: a Variational Autoencoder (VAE) with continuous tokens, a decoder-only Transformer with discrete tokens, and Florence-2, a pretrained Vision-Language Model with an encoder-decoder architecture, demonstrating BEAST's compatibility and scalability with large pretrained models. We evaluate BEAST across three established benchmarks consisting of 166 simulated tasks and on three distinct robot settings with a total of 8 real-world tasks. Experimental results demonstrate that BEAST (i) significantly reduces both training and inference computational costs, and (ii) consistently generates smooth, high-frequency control signals suitable for continuous control tasks while (iii) reliably achieves competitive task success rates compared to state-of-the-art methods.

D$^2$iT: Dynamic Diffusion Transformer for Accurate Image Generation

Diffusion models are widely recognized for their ability to generate high-fidelity images. Despite the excellent performance and scalability of the Diffusion Transformer (DiT) architecture, it applies fixed compression across different image regions during the diffusion process, disregarding the naturally varying information densities present in these regions. However, large compression leads to limited local realism, while small compression increases computational complexity and compromises global consistency, ultimately impacting the quality of generated images. To address these limitations, we propose dynamically compressing different image regions by recognizing the importance of different regions, and introduce a novel two-stage framework designed to enhance the effectiveness and efficiency of image generation: (1) Dynamic VAE (DVAE) at first stage employs a hierarchical encoder to encode different image regions at different downsampling rates, tailored to their specific information densities, thereby providing more accurate and natural latent codes for the diffusion process. (2) Dynamic Diffusion Transformer (D^2iT) at second stage generates images by predicting multi-grained noise, consisting of coarse-grained (less latent code in smooth regions) and fine-grained (more latent codes in detailed regions), through an novel combination of the Dynamic Grain Transformer and the Dynamic Content Transformer. The strategy of combining rough prediction of noise with detailed regions correction achieves a unification of global consistency and local realism. Comprehensive experiments on various generation tasks validate the effectiveness of our approach. Code will be released at https://github.com/jiawn-creator/Dynamic-DiT.

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.

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.