Gene-Metabolite Association Prediction with Interactive Knowledge Transfer Enhanced Graph for Metabolite Production

In the rapidly evolving field of metabolic engineering, the quest for efficient and precise gene target identification for metabolite production enhancement presents significant challenges. Traditional approaches, whether knowledge-based or model-based, are notably time-consuming and labor-intensive, due to the vast scale of research literature and the approximation nature of genome-scale metabolic model (GEM) simulations. Therefore, we propose a new task, Gene-Metabolite Association Prediction based on metabolic graphs, to automate the process of candidate gene discovery for a given pair of metabolite and candidate-associated genes, as well as presenting the first benchmark containing 2474 metabolites and 1947 genes of two commonly used microorganisms Saccharomyces cerevisiae (SC) and Issatchenkia orientalis (IO). This task is challenging due to the incompleteness of the metabolic graphs and the heterogeneity among distinct metabolisms. To overcome these limitations, we propose an Interactive Knowledge Transfer mechanism based on Metabolism Graph (IKT4Meta), which improves the association prediction accuracy by integrating the knowledge from different metabolism graphs. First, to build a bridge between two graphs for knowledge transfer, we utilize Pretrained Language Models (PLMs) with external knowledge of genes and metabolites to help generate inter-graph links, significantly alleviating the impact of heterogeneity. Second, we propagate intra-graph links from different metabolic graphs using inter-graph links as anchors. Finally, we conduct the gene-metabolite association prediction based on the enriched metabolism graphs, which integrate the knowledge from multiple microorganisms. Experiments on both types of organisms demonstrate that our proposed methodology outperforms baselines by up to 12.3% across various link prediction frameworks.

SANA: Efficient High-Resolution Image Synthesis with Linear Diffusion Transformers

We introduce Sana, a text-to-image framework that can efficiently generate images up to 4096$\times$4096 resolution. Sana can synthesize high-resolution, high-quality images with strong text-image alignment at a remarkably fast speed, deployable on laptop GPU. Core designs include: (1) Deep compression autoencoder: unlike traditional AEs, which compress images only 8$\times$, we trained an AE that can compress images 32$\times$, effectively reducing the number of latent tokens. (2) Linear DiT: we replace all vanilla attention in DiT with linear attention, which is more efficient at high resolutions without sacrificing quality. (3) Decoder-only text encoder: we replaced T5 with modern decoder-only small LLM as the text encoder and designed complex human instruction with in-context learning to enhance the image-text alignment. (4) Efficient training and sampling: we propose Flow-DPM-Solver to reduce sampling steps, with efficient caption labeling and selection to accelerate convergence. As a result, Sana-0.6B is very competitive with modern giant diffusion model (e.g. Flux-12B), being 20 times smaller and 100+ times faster in measured throughput. Moreover, Sana-0.6B can be deployed on a 16GB laptop GPU, taking less than 1 second to generate a 1024$\times$1024 resolution image. Sana enables content creation at low cost. Code and model will be publicly released.

Deep Compression Autoencoder for Efficient High-Resolution Diffusion Models

We present Deep Compression Autoencoder (DC-AE), a new family of autoencoder models for accelerating high-resolution diffusion models. Existing autoencoder models have demonstrated impressive results at a moderate spatial compression ratio (e.g., 8x), but fail to maintain satisfactory reconstruction accuracy for high spatial compression ratios (e.g., 64x). We address this challenge by introducing two key techniques: (1) Residual Autoencoding, where we design our models to learn residuals based on the space-to-channel transformed features to alleviate the optimization difficulty of high spatial-compression autoencoders; (2) Decoupled High-Resolution Adaptation, an efficient decoupled three-phases training strategy for mitigating the generalization penalty of high spatial-compression autoencoders. With these designs, we improve the autoencoder's spatial compression ratio up to 128 while maintaining the reconstruction quality. Applying our DC-AE to latent diffusion models, we achieve significant speedup without accuracy drop. For example, on ImageNet 512x512, our DC-AE provides 19.1x inference speedup and 17.9x training speedup on H100 GPU for UViT-H while achieving a better FID, compared with the widely used SD-VAE-f8 autoencoder. Our code is available at https://github.com/mit-han-lab/efficientvit.

HART: Efficient Visual Generation with Hybrid Autoregressive Transformer

We introduce Hybrid Autoregressive Transformer (HART), an autoregressive (AR) visual generation model capable of directly generating 1024x1024 images, rivaling diffusion models in image generation quality. Existing AR models face limitations due to the poor image reconstruction quality of their discrete tokenizers and the prohibitive training costs associated with generating 1024px images. To address these challenges, we present the hybrid tokenizer, which decomposes the continuous latents from the autoencoder into two components: discrete tokens representing the big picture and continuous tokens representing the residual components that cannot be represented by the discrete tokens. The discrete component is modeled by a scalable-resolution discrete AR model, while the continuous component is learned with a lightweight residual diffusion module with only 37M parameters. Compared with the discrete-only VAR tokenizer, our hybrid approach improves reconstruction FID from 2.11 to 0.30 on MJHQ-30K, leading to a 31% generation FID improvement from 7.85 to 5.38. HART also outperforms state-of-the-art diffusion models in both FID and CLIP score, with 4.5-7.7x higher throughput and 6.9-13.4x lower MACs. Our code is open sourced at https://github.com/mit-han-lab/hart.

Unsupervised Learning of Multi-modal Affine Registration for PET/CT

Affine registration plays a crucial role in PET/CT imaging, where aligning PET with CT images is challenging due to their respective functional and anatomical representations. Despite the significant promise shown by recent deep learning (DL)-based methods in various medical imaging applications, their application to multi-modal PET/CT affine registration remains relatively unexplored. This study investigates a DL-based approach for PET/CT affine registration. We introduce a novel method using Parzen windowing to approximate the correlation ratio, which acts as the image similarity measure for training DNNs in multi-modal registration. Additionally, we propose a multi-scale, instance-specific optimization scheme that iteratively refines the DNN-generated affine parameters across multiple image resolutions. Our method was evaluated against the widely used mutual information metric and a popular optimization-based technique from the ANTs package, using a large public FDG-PET/CT dataset with synthetic affine transformations. Our approach achieved a mean Dice Similarity Coefficient (DSC) of 0.870, outperforming the compared methods and demonstrating its effectiveness in multi-modal PET/CT image registration.

VILA-U: a Unified Foundation Model Integrating Visual Understanding and Generation

VILA-U is a Unified foundation model that integrates Video, Image, Language understanding and generation. Traditional visual language models (VLMs) use separate modules for understanding and generating visual content, which can lead to misalignment and increased complexity. In contrast, VILA-U employs a single autoregressive next-token prediction framework for both tasks, eliminating the need for additional components like diffusion models. This approach not only simplifies the model but also achieves near state-of-the-art performance in visual language understanding and generation. The success of VILA-U is attributed to two main factors: the unified vision tower that aligns discrete visual tokens with textual inputs during pretraining, which enhances visual perception, and autoregressive image generation can achieve similar quality as diffusion models with high-quality dataset. This allows VILA-U to perform comparably to more complex models using a fully token-based autoregressive framework.

RSEA-MVGNN: Multi-View Graph Neural Network with Reliable Structural Enhancement and Aggregation

Graph Neural Networks (GNNs) have exhibited remarkable efficacy in learning from multi-view graph data. In the framework of multi-view graph neural networks, a critical challenge lies in effectively combining diverse views, where each view has distinct graph structure features (GSFs). Existing approaches to this challenge primarily focus on two aspects: 1) prioritizing the most important GSFs, 2) utilizing GNNs for feature aggregation. However, prioritizing the most important GSFs can lead to limited feature diversity, and existing GNN-based aggregation strategies equally treat each view without considering view quality. To address these issues, we propose a novel Multi-View Graph Neural Network with Reliable Structural Enhancement and Aggregation (RSEA-MVGNN). Firstly, we estimate view-specific uncertainty employing subjective logic. Based on this uncertainty, we design reliable structural enhancement by feature de-correlation algorithm. This approach enables each enhancement to focus on different GSFs, thereby achieving diverse feature representation in the enhanced structure. Secondly, the model learns view-specific beliefs and uncertainty as opinions, which are utilized to evaluate view quality. Based on these opinions, the model enables high-quality views to dominate GNN aggregation, thereby facilitating representation learning. Experimental results conducted on five real-world datasets demonstrate that RSEA-MVGNN outperforms several state-of-the-art GNN-based methods.

Revisiting Multi-Modal LLM Evaluation

With the advent of multi-modal large language models (MLLMs), datasets used for visual question answering (VQA) and referring expression comprehension have seen a resurgence. However, the most popular datasets used to evaluate MLLMs are some of the earliest ones created, and they have many known problems, including extreme bias, spurious correlations, and an inability to permit fine-grained analysis. In this paper, we pioneer evaluating recent MLLMs (LLaVA 1.5, LLaVA-NeXT, BLIP2, InstructBLIP, GPT-4V, and GPT-4o) on datasets designed to address weaknesses in earlier ones. We assess three VQA datasets: 1) TDIUC, which permits fine-grained analysis on 12 question types; 2) TallyQA, which has simple and complex counting questions; and 3) DVQA, which requires optical character recognition for chart understanding. We also study VQDv1, a dataset that requires identifying all image regions that satisfy a given query. Our experiments reveal the weaknesses of many MLLMs that have not previously been reported. Our code is integrated into the widely used LAVIS framework for MLLM evaluation, enabling the rapid assessment of future MLLMs. Project webpage: https://kevinlujian.github.io/MLLM_Evaluations/

Vector Field Attention for Deformable Image Registration

Deformable image registration establishes non-linear spatial correspondences between fixed and moving images. Deep learning-based deformable registration methods have been widely studied in recent years due to their speed advantage over traditional algorithms as well as their better accuracy. Most existing deep learning-based methods require neural networks to encode location information in their feature maps and predict displacement or deformation fields though convolutional or fully connected layers from these high-dimensional feature maps. In this work, we present Vector Field Attention (VFA), a novel framework that enhances the efficiency of the existing network design by enabling direct retrieval of location correspondences. VFA uses neural networks to extract multi-resolution feature maps from the fixed and moving images and then retrieves pixel-level correspondences based on feature similarity. The retrieval is achieved with a novel attention module without the need of learnable parameters. VFA is trained end-to-end in either a supervised or unsupervised manner. We evaluated VFA for intra- and inter-modality registration and for unsupervised and semi-supervised registration using public datasets, and we also evaluated it on the Learn2Reg challenge. Experimental results demonstrate the superior performance of VFA compared to existing methods. The source code of VFA is publicly available at https://github.com/yihao6/vfa/.

From Registration Uncertainty to Segmentation Uncertainty

Understanding the uncertainty inherent in deep learning-based image registration models has been an ongoing area of research. Existing methods have been developed to quantify both transformation and appearance uncertainties related to the registration process, elucidating areas where the model may exhibit ambiguity regarding the generated deformation. However, our study reveals that neither uncertainty effectively estimates the potential errors when the registration model is used for label propagation. Here, we propose a novel framework to concurrently estimate both the epistemic and aleatoric segmentation uncertainties for image registration. To this end, we implement a compact deep neural network (DNN) designed to transform the appearance discrepancy in the warping into aleatoric segmentation uncertainty by minimizing a negative log-likelihood loss function. Furthermore, we present epistemic segmentation uncertainty within the label propagation process as the entropy of the propagated labels. By introducing segmentation uncertainty along with existing methods for estimating registration uncertainty, we offer vital insights into the potential uncertainties at different stages of image registration. We validated our proposed framework using publicly available datasets, and the results prove that the segmentation uncertainties estimated with the proposed method correlate well with errors in label propagation, all while achieving superior registration performance.