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Developing a universal and precise design framework is crucial to search high-performance catalysts, but it remains a giant challenge due to the diverse structures and sites across various types of catalysts. To address this challenge, herein, we developed a novel framework by the refined local atomic environment descriptors (i.e., weighted Atomic Center Symmetry Function, wACSF) combined with machine learning (ML), microkinetic modeling, and computational high-throughput screening. This framework is successfully integrated into the Digital Catalysis Database (DigCat), enabling efficient screening for 2e- water oxidation reaction (2e- WOR) catalysts across four material categories (i.e., metal alloys, metal oxides and perovskites, and single-atom catalysts) within a ML model. The proposed wACSF descriptors integrating both geometric and chemical features are proven effective in predicting the adsorption free energies with ML. Excitingly, based on the wACSF descriptors, the ML models accurately predict the adsorption free energies of hydroxyl ({\Delta}GOH*) and oxygen ({\Delta}GO*) for such a wide range of catalysts, achieving R2 values of 0.84 and 0.91, respectively. Through density functional theory calculations and microkinetic modeling, a universal 2e- WOR microkinetic volcano model was derived with excellent agreement with experimental observations reported to date, which was further used to rapidly screen high-performance catalysts with the input of ML-predicted {\Delta}GOH*. Most importantly, this universal framework can significantly improve the efficiency of catalyst design by considering multiple types of materials at the same time, which can dramatically accelerate the screening of high-performance catalysts., Comment: 33

Visual language models (VLMs) have made significant advances in accuracy in recent years. However, their efficiency has received much less attention. This paper introduces NVILA, a family of open VLMs designed to optimize both efficiency and accuracy. Building on top of VILA, we improve its model architecture by first scaling up the spatial and temporal resolutions, and then compressing visual tokens. This "scale-then-compress" approach enables NVILA to efficiently process high-resolution images and long videos. We also conduct a systematic investigation to enhance the efficiency of NVILA throughout its entire lifecycle, from training and fine-tuning to deployment. NVILA matches or surpasses the accuracy of many leading open and proprietary VLMs across a wide range of image and video benchmarks. At the same time, it reduces training costs by 4.5X, fine-tuning memory usage by 3.4X, pre-filling latency by 1.6-2.2X, and decoding latency by 1.2-2.8X. We will soon make our code and models available to facilitate reproducibility.

Generalist vision language models (VLMs) have made significant strides in computer vision, but they fall short in specialized fields like healthcare, where expert knowledge is essential. In traditional computer vision tasks, creative or approximate answers may be acceptable, but in healthcare, precision is paramount.Current large multimodal models like Gemini and GPT-4o are insufficient for medical tasks due to their reliance on memorized internet knowledge rather than the nuanced expertise required in healthcare. VLMs are usually trained in three stages: vision pre-training, vision-language pre-training, and instruction fine-tuning (IFT). IFT has been typically applied using a mixture of generic and healthcare data. In contrast, we propose that for medical VLMs, a fourth stage of specialized IFT is necessary, which focuses on medical data and includes information from domain expert models. Domain expert models developed for medical use are crucial because they are specifically trained for certain clinical tasks, e.g. to detect tumors and classify abnormalities through segmentation and classification, which learn fine-grained features of medical data$-$features that are often too intricate for a VLM to capture effectively especially in radiology. This paper introduces a new framework, VILA-M3, for medical VLMs that utilizes domain knowledge via expert models. Through our experiments, we show an improved state-of-the-art (SOTA) performance with an average improvement of ~9% over the prior SOTA model Med-Gemini and ~6% over models trained on the specific tasks. Our approach emphasizes the importance of domain expertise in creating precise, reliable VLMs for medical applications.

Long-context capability is critical for multi-modal foundation models, especially for long video understanding. We introduce LongVILA, a full-stack solution for long-context visual-language models by co-designing the algorithm and system. For model training, we upgrade existing VLMs to support long video understanding by incorporating two additional stages, i.e., long context extension and long video supervised fine-tuning. However, training on long video is computationally and memory intensive. We introduce the long-context Multi-Modal Sequence Parallelism (MM-SP) system that efficiently parallelizes long video training and inference, enabling 2M context length training on 256 GPUs without any gradient checkpointing. LongVILA efficiently extends the number of video frames of VILA from 8 to 2048, achieving 99.8% accuracy in 6,000-frame (more than 1 million tokens) video needle-in-a-haystack. LongVILA-7B demonstrates strong accuracy on 9 popular video benchmarks, e.g. 65.1% VideoMME with subtitle. Besides, MM-SP is 2.1x - 5.7x faster than ring style sequence parallelism and 1.1x - 1.4x faster than Megatron with a hybrid context and tensor parallelism. Moreover, it seamlessly integrates with Hugging Face Transformers., Comment: Code and models are available at https://github.com/NVlabs/VILA/tree/main/longvila

Semantic segmentation empowers numerous real-world applications, such as autonomous driving and augmented/mixed reality. These applications often operate on high-resolution images (e.g., 8 megapixels) to capture the fine details. However, this comes at the cost of considerable computational complexity, hindering the deployment in latency-sensitive scenarios. In this paper, we introduce SparseRefine, a novel approach that enhances dense low-resolution predictions with sparse high-resolution refinements. Based on coarse low-resolution outputs, SparseRefine first uses an entropy selector to identify a sparse set of pixels with high entropy. It then employs a sparse feature extractor to efficiently generate the refinements for those pixels of interest. Finally, it leverages a gated ensembler to apply these sparse refinements to the initial coarse predictions. SparseRefine can be seamlessly integrated into any existing semantic segmentation model, regardless of CNN- or ViT-based. SparseRefine achieves significant speedup: 1.5 to 3.7 times when applied to HRNet-W48, SegFormer-B5, Mask2Former-T/L and SegNeXt-L on Cityscapes, with negligible to no loss of accuracy. Our "dense+sparse" paradigm paves the way for efficient high-resolution visual computing., Comment: ECCV 2024. The first two authors contributed equally to this work. Project page: https://sparserefine.mit.edu

We present LidarDM, a novel LiDAR generative model capable of producing realistic, layout-aware, physically plausible, and temporally coherent LiDAR videos. LidarDM stands out with two unprecedented capabilities in LiDAR generative modeling: (i) LiDAR generation guided by driving scenarios, offering significant potential for autonomous driving simulations, and (ii) 4D LiDAR point cloud generation, enabling the creation of realistic and temporally coherent sequences. At the heart of our model is a novel integrated 4D world generation framework. Specifically, we employ latent diffusion models to generate the 3D scene, combine it with dynamic actors to form the underlying 4D world, and subsequently produce realistic sensory observations within this virtual environment. Our experiments indicate that our approach outperforms competing algorithms in realism, temporal coherency, and layout consistency. We additionally show that LidarDM can be used as a generative world model simulator for training and testing perception models.

We introduce StreamDiffusion, a real-time diffusion pipeline designed for interactive image generation. Existing diffusion models are adept at creating images from text or image prompts, yet they often fall short in real-time interaction. This limitation becomes particularly evident in scenarios involving continuous input, such as Metaverse, live video streaming, and broadcasting, where high throughput is imperative. To address this, we present a novel approach that transforms the original sequential denoising into the batching denoising process. Stream Batch eliminates the conventional wait-and-interact approach and enables fluid and high throughput streams. To handle the frequency disparity between data input and model throughput, we design a novel input-output queue for parallelizing the streaming process. Moreover, the existing diffusion pipeline uses classifier-free guidance(CFG), which requires additional U-Net computation. To mitigate the redundant computations, we propose a novel residual classifier-free guidance (RCFG) algorithm that reduces the number of negative conditional denoising steps to only one or even zero. Besides, we introduce a stochastic similarity filter(SSF) to optimize power consumption. Our Stream Batch achieves around 1.5x speedup compared to the sequential denoising method at different denoising levels. The proposed RCFG leads to speeds up to 2.05x higher than the conventional CFG. Combining the proposed strategies and existing mature acceleration tools makes the image-to-image generation achieve up-to 91.07fps on one RTX4090, improving the throughputs of AutoPipline developed by Diffusers over 59.56x. Furthermore, our proposed StreamDiffusion also significantly reduces the energy consumption by 2.39x on one RTX3060 and 1.99x on one RTX4090, respectively., Comment: tech report, the code is available at https://github.com/cumulo-autumn/StreamDiffusion

This paper is not motivated to seek innovation within the attention mechanism. Instead, it focuses on overcoming the existing trade-offs between accuracy and efficiency within the context of point cloud processing, leveraging the power of scale. Drawing inspiration from recent advances in 3D large-scale representation learning, we recognize that model performance is more influenced by scale than by intricate design. Therefore, we present Point Transformer V3 (PTv3), which prioritizes simplicity and efficiency over the accuracy of certain mechanisms that are minor to the overall performance after scaling, such as replacing the precise neighbor search by KNN with an efficient serialized neighbor mapping of point clouds organized with specific patterns. This principle enables significant scaling, expanding the receptive field from 16 to 1024 points while remaining efficient (a 3x increase in processing speed and a 10x improvement in memory efficiency compared with its predecessor, PTv2). PTv3 attains state-of-the-art results on over 20 downstream tasks that span both indoor and outdoor scenarios. Further enhanced with multi-dataset joint training, PTv3 pushes these results to a higher level., Comment: CVPR 2024, code available at Pointcept (https://github.com/Pointcept/PointTransformerV3)

Sparse convolution plays a pivotal role in emerging workloads, including point cloud processing in AR/VR, autonomous driving, and graph understanding in recommendation systems. Since the computation pattern is sparse and irregular, specialized high-performance kernels are required. Existing GPU libraries offer two dataflow types for sparse convolution. The gather-GEMM-scatter dataflow is easy to implement but not optimal in performance, while the dataflows with overlapped computation and memory access (e.g.implicit GEMM) are highly performant but have very high engineering costs. In this paper, we introduce TorchSparse++, a new GPU library that achieves the best of both worlds. We create a highly efficient Sparse Kernel Generator that generates performant sparse convolution kernels at less than one-tenth of the engineering cost of the current state-of-the-art system. On top of this, we design the Sparse Autotuner, which extends the design space of existing sparse convolution libraries and searches for the best dataflow configurations for training and inference workloads. Consequently, TorchSparse++ achieves 2.9x, 3.3x, 2.2x and 1.7x measured end-to-end speedup on an NVIDIA A100 GPU over state-of-the-art MinkowskiEngine, SpConv 1.2, TorchSparse and SpConv v2 in inference; and is 1.2-1.3x faster than SpConv v2 in mixed precision training across seven representative autonomous driving benchmarks. It also seamlessly supports graph convolutions, achieving 2.6-7.6x faster inference speed compared with state-of-the-art graph deep learning libraries., Comment: MICRO 2023; Haotian Tang and Shang Yang contributed equally to this project

We present LongLoRA, an efficient fine-tuning approach that extends the context sizes of pre-trained large language models (LLMs), with limited computation cost. Typically, training LLMs with long context sizes is computationally expensive, requiring extensive training hours and GPU resources. For example, training on the context length of 8192 needs 16x computational costs in self-attention layers as that of 2048. In this paper, we speed up the context extension of LLMs in two aspects. On the one hand, although dense global attention is needed during inference, fine-tuning the model can be effectively and efficiently done by sparse local attention. The proposed shifted sparse attention effectively enables context extension, leading to non-trivial computation saving with similar performance to fine-tuning with vanilla attention. Particularly, it can be implemented with only two lines of code in training, while being optional in inference. On the other hand, we revisit the parameter-efficient fine-tuning regime for context expansion. Notably, we find that LoRA for context extension works well under the premise of trainable embedding and normalization. LongLoRA combines this improved LoRA with S^2-Attn. LongLoRA demonstrates strong empirical results on various tasks on Llama2 models from 7B/13B to 70B. LongLoRA extends Llama2 7B from 4k context to 100k, or Llama2 70B to 32k on a single 8x A100 machine. LongLoRA extends models' context while retaining their original architectures, and is compatible with most existing techniques, like Flash-Attention2. In addition, we further conduct supervised fine-tuning with LongLoRA and our long instruction-following LongAlpaca dataset., Comment: Code, models, dataset, and demo are available at https://github.com/dvlab-research/LongLoRA

Despite tremendous advancements in bird's-eye view (BEV) perception, existing models fall short in generating realistic and coherent semantic map layouts, and they fail to account for uncertainties arising from partial sensor information (such as occlusion or limited coverage). In this work, we introduce MapPrior, a novel BEV perception framework that combines a traditional discriminative BEV perception model with a learned generative model for semantic map layouts. Our MapPrior delivers predictions with better accuracy, realism, and uncertainty awareness. We evaluate our model on the large-scale nuScenes benchmark. At the time of submission, MapPrior outperforms the strongest competing method, with significantly improved MMD and ECE scores in camera- and LiDAR-based BEV perception.

Automatic hardhat wearing detection can strengthen the safety management in construction sites, which is still challenging due to complicated video surveillance scenes. To deal with the poor generalization of previous deep learning based methods, a novel anchor-free deep learning framework called CA-CentripetalNet is proposed for hardhat wearing detection. Two novel schemes are proposed to improve the feature extraction and utilization ability of CA-CentripetalNet, which are vertical-horizontal corner pooling and bounding constrained center attention. The former is designed to realize the comprehensive utilization of marginal features and internal features. The latter is designed to enforce the backbone to pay attention to internal features, which is only used during the training rather than during the detection. Experimental results indicate that the CA-CentripetalNet achieves better performance with the 86.63% mAP (mean Average Precision) with less memory consumption at a reasonable speed than the existing deep learning based methods, especially in case of small-scale hardhats and non-worn-hardhats., Comment: It has been accepted for the journal of Signal, Image and Video Processing, which is a complete version. It is noted that it has been deleted for future publishing

High-resolution images enable neural networks to learn richer visual representations. However, this improved performance comes at the cost of growing computational complexity, hindering their usage in latency-sensitive applications. As not all pixels are equal, skipping computations for less-important regions offers a simple and effective measure to reduce the computation. This, however, is hard to be translated into actual speedup for CNNs since it breaks the regularity of the dense convolution workload. In this paper, we introduce SparseViT that revisits activation sparsity for recent window-based vision transformers (ViTs). As window attentions are naturally batched over blocks, actual speedup with window activation pruning becomes possible: i.e., ~50% latency reduction with 60% sparsity. Different layers should be assigned with different pruning ratios due to their diverse sensitivities and computational costs. We introduce sparsity-aware adaptation and apply the evolutionary search to efficiently find the optimal layerwise sparsity configuration within the vast search space. SparseViT achieves speedups of 1.5x, 1.4x, and 1.3x compared to its dense counterpart in monocular 3D object detection, 2D instance segmentation, and 2D semantic segmentation, respectively, with negligible to no loss of accuracy., Comment: CVPR 2023. The first two authors contributed equally to this work. Project page: https://sparsevit.mit.edu

Transformer, as an alternative to CNN, has been proven effective in many modalities (e.g., texts and images). For 3D point cloud transformers, existing efforts focus primarily on pushing their accuracy to the state-of-the-art level. However, their latency lags behind sparse convolution-based models (3x slower), hindering their usage in resource-constrained, latency-sensitive applications (such as autonomous driving). This inefficiency comes from point clouds' sparse and irregular nature, whereas transformers are designed for dense, regular workloads. This paper presents FlatFormer to close this latency gap by trading spatial proximity for better computational regularity. We first flatten the point cloud with window-based sorting and partition points into groups of equal sizes rather than windows of equal shapes. This effectively avoids expensive structuring and padding overheads. We then apply self-attention within groups to extract local features, alternate sorting axis to gather features from different directions, and shift windows to exchange features across groups. FlatFormer delivers state-of-the-art accuracy on Waymo Open Dataset with 4.6x speedup over (transformer-based) SST and 1.4x speedup over (sparse convolutional) CenterPoint. This is the first point cloud transformer that achieves real-time performance on edge GPUs and is faster than sparse convolutional methods while achieving on-par or even superior accuracy on large-scale benchmarks., Comment: CVPR 2023. The first two authors contributed equally to this work. Project page: https://flatformer.mit.edu

Multi-sensor fusion is essential for an accurate and reliable autonomous driving system. Recent approaches are based on point-level fusion: augmenting the LiDAR point cloud with camera features. However, the camera-to-LiDAR projection throws away the semantic density of camera features, hindering the effectiveness of such methods, especially for semantic-oriented tasks (such as 3D scene segmentation). In this paper, we break this deeply-rooted convention with BEVFusion, an efficient and generic multi-task multi-sensor fusion framework. It unifies multi-modal features in the shared bird's-eye view (BEV) representation space, which nicely preserves both geometric and semantic information. To achieve this, we diagnose and lift key efficiency bottlenecks in the view transformation with optimized BEV pooling, reducing latency by more than 40x. BEVFusion is fundamentally task-agnostic and seamlessly supports different 3D perception tasks with almost no architectural changes. It establishes the new state of the art on nuScenes, achieving 1.3% higher mAP and NDS on 3D object detection and 13.6% higher mIoU on BEV map segmentation, with 1.9x lower computation cost. Code to reproduce our results is available at https://github.com/mit-han-lab/bevfusion., Comment: ICRA 2023. The first two authors contributed equally to this work. Project page: https://bevfusion.mit.edu

3D neural networks are widely used in real-world applications (e.g., AR/VR headsets, self-driving cars). They are required to be fast and accurate; however, limited hardware resources on edge devices make these requirements rather challenging. Previous work processes 3D data using either voxel-based or point-based neural networks, but both types of 3D models are not hardware-efficient due to the large memory footprint and random memory access. In this paper, we study 3D deep learning from the efficiency perspective. We first systematically analyze the bottlenecks of previous 3D methods. We then combine the best from point-based and voxel-based models together and propose a novel hardware-efficient 3D primitive, Point-Voxel Convolution (PVConv). We further enhance this primitive with the sparse convolution to make it more effective in processing large (outdoor) scenes. Based on our designed 3D primitive, we introduce 3D Neural Architecture Search (3D-NAS) to explore the best 3D network architecture given a resource constraint. We evaluate our proposed method on six representative benchmark datasets, achieving state-of-the-art performance with 1.8-23.7x measured speedup. Furthermore, our method has been deployed to the autonomous racing vehicle of MIT Driverless, achieving larger detection range, higher accuracy and lower latency., Comment: Journal extension of arXiv:1907.03739 and arXiv:2007.16100 (IEEE TPAMI, 2021). The first two authors contributed equally to this work

Deep neural networks (DNNs) have achieved unprecedented success in the field of artificial intelligence (AI), including computer vision, natural language processing and speech recognition. However, their superior performance comes at the considerable cost of computational complexity, which greatly hinders their applications in many resource-constrained devices, such as mobile phones and Internet of Things (IoT) devices. Therefore, methods and techniques that are able to lift the efficiency bottleneck while preserving the high accuracy of DNNs are in great demand in order to enable numerous edge AI applications. This paper provides an overview of efficient deep learning methods, systems and applications. We start from introducing popular model compression methods, including pruning, factorization, quantization as well as compact model design. To reduce the large design cost of these manual solutions, we discuss the AutoML framework for each of them, such as neural architecture search (NAS) and automated pruning and quantization. We then cover efficient on-device training to enable user customization based on the local data on mobile devices. Apart from general acceleration techniques, we also showcase several task-specific accelerations for point cloud, video and natural language processing by exploiting their spatial sparsity and temporal/token redundancy. Finally, to support all these algorithmic advancements, we introduce the efficient deep learning system design from both software and hardware perspectives., Comment: Journal preprint (ACM TODAES, 2021). The first seven authors contributed equally to this work and are listed in the alphabetical order

Deep learning on point clouds has received increased attention thanks to its wide applications in AR/VR and autonomous driving. These applications require low latency and high accuracy to provide real-time user experience and ensure user safety. Unlike conventional dense workloads, the sparse and irregular nature of point clouds poses severe challenges to running sparse CNNs efficiently on the general-purpose hardware. Furthermore, existing sparse acceleration techniques for 2D images do not translate to 3D point clouds. In this paper, we introduce TorchSparse, a high-performance point cloud inference engine that accelerates the sparse convolution computation on GPUs. TorchSparse directly optimizes the two bottlenecks of sparse convolution: irregular computation and data movement. It applies adaptive matrix multiplication grouping to trade computation for better regularity, achieving 1.4-1.5x speedup for matrix multiplication. It also optimizes the data movement by adopting vectorized, quantized and fused locality-aware memory access, reducing the memory movement cost by 2.7x. Evaluated on seven representative models across three benchmark datasets, TorchSparse achieves 1.6x and 1.5x measured end-to-end speedup over the state-of-the-art MinkowskiEngine and SpConv, respectively., Comment: MLSys 2022. The first three authors contributed equally to this work. Project page: https://torchsparse.mit.edu