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Nov 20

Joint Generative Modeling of Scene Graphs and Images via Diffusion Models

In this paper, we present a novel generative task: joint scene graph - image generation. While previous works have explored image generation conditioned on scene graphs or layouts, our task is distinctive and important as it involves generating scene graphs themselves unconditionally from noise, enabling efficient and interpretable control for image generation. Our task is challenging, requiring the generation of plausible scene graphs with heterogeneous attributes for nodes (objects) and edges (relations among objects), including continuous object bounding boxes and discrete object and relation categories. We introduce a novel diffusion model, DiffuseSG, that jointly models the adjacency matrix along with heterogeneous node and edge attributes. We explore various types of encodings for the categorical data, relaxing it into a continuous space. With a graph transformer being the denoiser, DiffuseSG successively denoises the scene graph representation in a continuous space and discretizes the final representation to generate the clean scene graph. Additionally, we introduce an IoU regularization to enhance the empirical performance. Our model significantly outperforms existing methods in scene graph generation on the Visual Genome and COCO-Stuff datasets, both on standard and newly introduced metrics that better capture the problem complexity. Moreover, we demonstrate the additional benefits of our model in two downstream applications: 1) excelling in a series of scene graph completion tasks, and 2) improving scene graph detection models by using extra training samples generated from DiffuseSG.

  • 5 authors
·
Jan 2, 2024

FBNetV5: Neural Architecture Search for Multiple Tasks in One Run

Neural Architecture Search (NAS) has been widely adopted to design accurate and efficient image classification models. However, applying NAS to a new computer vision task still requires a huge amount of effort. This is because 1) previous NAS research has been over-prioritized on image classification while largely ignoring other tasks; 2) many NAS works focus on optimizing task-specific components that cannot be favorably transferred to other tasks; and 3) existing NAS methods are typically designed to be "proxyless" and require significant effort to be integrated with each new task's training pipelines. To tackle these challenges, we propose FBNetV5, a NAS framework that can search for neural architectures for a variety of vision tasks with much reduced computational cost and human effort. Specifically, we design 1) a search space that is simple yet inclusive and transferable; 2) a multitask search process that is disentangled with target tasks' training pipeline; and 3) an algorithm to simultaneously search for architectures for multiple tasks with a computational cost agnostic to the number of tasks. We evaluate the proposed FBNetV5 targeting three fundamental vision tasks -- image classification, object detection, and semantic segmentation. Models searched by FBNetV5 in a single run of search have outperformed the previous stateof-the-art in all the three tasks: image classification (e.g., +1.3% ImageNet top-1 accuracy under the same FLOPs as compared to FBNetV3), semantic segmentation (e.g., +1.8% higher ADE20K val. mIoU than SegFormer with 3.6x fewer FLOPs), and object detection (e.g., +1.1% COCO val. mAP with 1.2x fewer FLOPs as compared to YOLOX).

  • 9 authors
·
Nov 18, 2021

Efficient Deep Neural Networks

The success of deep neural networks (DNNs) is attributable to three factors: increased compute capacity, more complex models, and more data. These factors, however, are not always present, especially for edge applications such as autonomous driving, augmented reality, and internet-of-things. Training DNNs requires a large amount of data, which is difficult to obtain. Edge devices such as mobile phones have limited compute capacity, and therefore, require specialized and efficient DNNs. However, due to the enormous design space and prohibitive training costs, designing efficient DNNs for different target devices is challenging. So the question is, with limited data, compute capacity, and model complexity, can we still successfully apply deep neural networks? This dissertation focuses on the above problems and improving the efficiency of deep neural networks at four levels. Model efficiency: we designed neural networks for various computer vision tasks and achieved more than 10x faster speed and lower energy. Data efficiency: we developed an advanced tool that enables 6.2x faster annotation of a LiDAR point cloud. We also leveraged domain adaptation to utilize simulated data, bypassing the need for real data. Hardware efficiency: we co-designed neural networks and hardware accelerators and achieved 11.6x faster inference. Design efficiency: the process of finding the optimal neural networks is time-consuming. Our automated neural architecture search algorithms discovered, using 421x lower computational cost than previous search methods, models with state-of-the-art accuracy and efficiency.

  • 1 authors
·
Aug 20, 2019

FBNet: Hardware-Aware Efficient ConvNet Design via Differentiable Neural Architecture Search

Designing accurate and efficient ConvNets for mobile devices is challenging because the design space is combinatorially large. Due to this, previous neural architecture search (NAS) methods are computationally expensive. ConvNet architecture optimality depends on factors such as input resolution and target devices. However, existing approaches are too expensive for case-by-case redesigns. Also, previous work focuses primarily on reducing FLOPs, but FLOP count does not always reflect actual latency. To address these, we propose a differentiable neural architecture search (DNAS) framework that uses gradient-based methods to optimize ConvNet architectures, avoiding enumerating and training individual architectures separately as in previous methods. FBNets, a family of models discovered by DNAS surpass state-of-the-art models both designed manually and generated automatically. FBNet-B achieves 74.1% top-1 accuracy on ImageNet with 295M FLOPs and 23.1 ms latency on a Samsung S8 phone, 2.4x smaller and 1.5x faster than MobileNetV2-1.3 with similar accuracy. Despite higher accuracy and lower latency than MnasNet, we estimate FBNet-B's search cost is 420x smaller than MnasNet's, at only 216 GPU-hours. Searched for different resolutions and channel sizes, FBNets achieve 1.5% to 6.4% higher accuracy than MobileNetV2. The smallest FBNet achieves 50.2% accuracy and 2.9 ms latency (345 frames per second) on a Samsung S8. Over a Samsung-optimized FBNet, the iPhone-X-optimized model achieves a 1.4x speedup on an iPhone X.

  • 10 authors
·
Dec 9, 2018

Transformers to SSMs: Distilling Quadratic Knowledge to Subquadratic Models

Transformer architectures have become a dominant paradigm for domains like language modeling but suffer in many inference settings due to their quadratic-time self-attention. Recently proposed subquadratic architectures, such as Mamba, have shown promise, but have been pretrained with substantially less computational resources than the strongest Transformer models. In this work, we present a method that is able to distill a pretrained Transformer architecture into alternative architectures such as state space models (SSMs). The key idea to our approach is that we can view both Transformers and SSMs as applying different forms of mixing matrices over the token sequences. We can thus progressively distill the Transformer architecture by matching different degrees of granularity in the SSM: first matching the mixing matrices themselves, then the hidden units at each block, and finally the end-to-end predictions. Our method, called MOHAWK, is able to distill a Mamba-2 variant based on the Phi-1.5 architecture (Phi-Mamba) using only 3B tokens and a hybrid version (Hybrid Phi-Mamba) using 5B tokens. Despite using less than 1% of the training data typically used to train models from scratch, Phi-Mamba boasts substantially stronger performance compared to all past open-source non-Transformer models. MOHAWK allows models like SSMs to leverage computational resources invested in training Transformer-based architectures, highlighting a new avenue for building such models.

  • 5 authors
·
Aug 19, 2024

FlowVid: Taming Imperfect Optical Flows for Consistent Video-to-Video Synthesis

Diffusion models have transformed the image-to-image (I2I) synthesis and are now permeating into videos. However, the advancement of video-to-video (V2V) synthesis has been hampered by the challenge of maintaining temporal consistency across video frames. This paper proposes a consistent V2V synthesis framework by jointly leveraging spatial conditions and temporal optical flow clues within the source video. Contrary to prior methods that strictly adhere to optical flow, our approach harnesses its benefits while handling the imperfection in flow estimation. We encode the optical flow via warping from the first frame and serve it as a supplementary reference in the diffusion model. This enables our model for video synthesis by editing the first frame with any prevalent I2I models and then propagating edits to successive frames. Our V2V model, FlowVid, demonstrates remarkable properties: (1) Flexibility: FlowVid works seamlessly with existing I2I models, facilitating various modifications, including stylization, object swaps, and local edits. (2) Efficiency: Generation of a 4-second video with 30 FPS and 512x512 resolution takes only 1.5 minutes, which is 3.1x, 7.2x, and 10.5x faster than CoDeF, Rerender, and TokenFlow, respectively. (3) High-quality: In user studies, our FlowVid is preferred 45.7% of the time, outperforming CoDeF (3.5%), Rerender (10.2%), and TokenFlow (40.4%).

  • 11 authors
·
Dec 29, 2023 1

What are the Desired Characteristics of Calibration Sets? Identifying Correlates on Long Form Scientific Summarization

Summarization models often generate text that is poorly calibrated to quality metrics because they are trained to maximize the likelihood of a single reference (MLE). To address this, recent work has added a calibration step, which exposes a model to its own ranked outputs to improve relevance or, in a separate line of work, contrasts positive and negative sets to improve faithfulness. While effective, much of this work has focused on how to generate and optimize these sets. Less is known about why one setup is more effective than another. In this work, we uncover the underlying characteristics of effective sets. For each training instance, we form a large, diverse pool of candidates and systematically vary the subsets used for calibration fine-tuning. Each selection strategy targets distinct aspects of the sets, such as lexical diversity or the size of the gap between positive and negatives. On three diverse scientific long-form summarization datasets (spanning biomedical, clinical, and chemical domains), we find, among others, that faithfulness calibration is optimal when the negative sets are extractive and more likely to be generated, whereas for relevance calibration, the metric margin between candidates should be maximized and surprise--the disagreement between model and metric defined candidate rankings--minimized. Code to create, select, and optimize calibration sets is available at https://github.com/griff4692/calibrating-summaries

  • 10 authors
·
May 12, 2023 1

Open-Vocabulary Semantic Segmentation with Mask-adapted CLIP

Open-vocabulary semantic segmentation aims to segment an image into semantic regions according to text descriptions, which may not have been seen during training. Recent two-stage methods first generate class-agnostic mask proposals and then leverage pre-trained vision-language models, e.g., CLIP, to classify masked regions. We identify the performance bottleneck of this paradigm to be the pre-trained CLIP model, since it does not perform well on masked images. To address this, we propose to finetune CLIP on a collection of masked image regions and their corresponding text descriptions. We collect training data by mining an existing image-caption dataset (e.g., COCO Captions), using CLIP to match masked image regions to nouns in the image captions. Compared with the more precise and manually annotated segmentation labels with fixed classes (e.g., COCO-Stuff), we find our noisy but diverse dataset can better retain CLIP's generalization ability. Along with finetuning the entire model, we utilize the "blank" areas in masked images using a method we dub mask prompt tuning. Experiments demonstrate mask prompt tuning brings significant improvement without modifying any weights of CLIP, and it can further improve a fully finetuned model. In particular, when trained on COCO and evaluated on ADE20K-150, our best model achieves 29.6% mIoU, which is +8.5% higher than the previous state-of-the-art. For the first time, open-vocabulary generalist models match the performance of supervised specialist models in 2017 without dataset-specific adaptations.

  • 9 authors
·
Oct 8, 2022

VNHSGE: VietNamese High School Graduation Examination Dataset for Large Language Models

The VNHSGE (VietNamese High School Graduation Examination) dataset, developed exclusively for evaluating large language models (LLMs), is introduced in this article. The dataset, which covers nine subjects, was generated from the Vietnamese National High School Graduation Examination and comparable tests. 300 literary essays have been included, and there are over 19,000 multiple-choice questions on a range of topics. The dataset assesses LLMs in multitasking situations such as question answering, text generation, reading comprehension, visual question answering, and more by including both textual data and accompanying images. Using ChatGPT and BingChat, we evaluated LLMs on the VNHSGE dataset and contrasted their performance with that of Vietnamese students to see how well they performed. The results show that ChatGPT and BingChat both perform at a human level in a number of areas, including literature, English, history, geography, and civics education. They still have space to grow, though, especially in the areas of mathematics, physics, chemistry, and biology. The VNHSGE dataset seeks to provide an adequate benchmark for assessing the abilities of LLMs with its wide-ranging coverage and variety of activities. We intend to promote future developments in the creation of LLMs by making this dataset available to the scientific community, especially in resolving LLMs' limits in disciplines involving mathematics and the natural sciences.

  • 8 authors
·
May 20, 2023

Precision Where It Matters: A Novel Spike Aware Mixed-Precision Quantization Strategy for LLaMA-based Language Models

Large Language Models (LLMs) have demonstrated remarkable capabilities in various natural language processing tasks. However, their size presents significant challenges for deployment and inference. This paper investigates the quantization of LLMs, focusing on the LLaMA architecture and its derivatives. We challenge existing assumptions about activation outliers in LLMs and propose a novel mixed-precision quantization approach tailored for LLaMA-like models. Our method leverages the observation that activation spikes in LLaMA architectures are predominantly concentrated in specific projection layers. By applying higher precision (FP16 or FP8) to these layers while quantizing the rest of the model to lower bit-widths, we achieve superior performance compared to existing quantization techniques. Experimental results on LLaMA2, LLaMA3, and Mistral models demonstrate significant improvements in perplexity and zero-shot accuracy, particularly for 8-bit per-tensor quantization. Our approach outperforms general-purpose methods designed to handle outliers across all architecture types, highlighting the benefits of architecture-specific quantization strategies. This research contributes to the ongoing efforts to make LLMs more efficient and deployable, potentially enabling their use in resource-constrained environments. Our findings emphasize the importance of considering model-specific characteristics in developing effective quantization pipelines for state-of-the-art language models by identifying and targeting a small number of projections that concentrate activation spikes.

  • 4 authors
·
Apr 30

AAD-LLM: Neural Attention-Driven Auditory Scene Understanding

Auditory foundation models, including auditory large language models (LLMs), process all sound inputs equally, independent of listener perception. However, human auditory perception is inherently selective: listeners focus on specific speakers while ignoring others in complex auditory scenes. Existing models do not incorporate this selectivity, limiting their ability to generate perception-aligned responses. To address this, we introduce Intention-Informed Auditory Scene Understanding (II-ASU) and present Auditory Attention-Driven LLM (AAD-LLM), a prototype system that integrates brain signals to infer listener attention. AAD-LLM extends an auditory LLM by incorporating intracranial electroencephalography (iEEG) recordings to decode which speaker a listener is attending to and refine responses accordingly. The model first predicts the attended speaker from neural activity, then conditions response generation on this inferred attentional state. We evaluate AAD-LLM on speaker description, speech transcription and extraction, and question answering in multitalker scenarios, with both objective and subjective ratings showing improved alignment with listener intention. By taking a first step toward intention-aware auditory AI, this work explores a new paradigm where listener perception informs machine listening, paving the way for future listener-centered auditory systems. Demo and code available: https://aad-llm.github.io.

  • 9 authors
·
Feb 23 3

HyPINO: Multi-Physics Neural Operators via HyperPINNs and the Method of Manufactured Solutions

We present HyPINO, a multi-physics neural operator designed for zero-shot generalization across a broad class of parametric PDEs without requiring task-specific fine-tuning. Our approach combines a Swin Transformer-based hypernetwork with mixed supervision: (i) labeled data from analytical solutions generated via the Method of Manufactured Solutions (MMS), and (ii) unlabeled samples optimized using physics-informed objectives. The model maps PDE parametrizations to target Physics-Informed Neural Networks (PINNs) and can handle linear elliptic, hyperbolic, and parabolic equations in two dimensions with varying source terms, geometries, and mixed Dirichlet/Neumann boundary conditions, including interior boundaries. HyPINO achieves strong zero-shot accuracy on seven benchmark problems from PINN literature, outperforming U-Nets, Poseidon, and Physics-Informed Neural Operators (PINO). Further, we introduce an iterative refinement procedure that compares the physics of the generated PINN to the requested PDE and uses the discrepancy to generate a "delta" PINN. Summing their contributions and repeating this process forms an ensemble whose combined solution progressively reduces the error on six benchmarks and achieves over 100x gain in average L_2 loss in the best case, while retaining forward-only inference. Additionally, we evaluate the fine-tuning behavior of PINNs initialized by HyPINO and show that they converge faster and to lower final error than both randomly initialized and Reptile-meta-learned PINNs on five benchmarks, performing on par on the remaining two. Our results highlight the potential of this scalable approach as a foundation for extending neural operators toward solving increasingly complex, nonlinear, and high-dimensional PDE problems with significantly improved accuracy and reduced computational cost.

  • 5 authors
·
Sep 5

Diffusion Sequence Models for Enhanced Protein Representation and Generation

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language Models (pLMs) aim to unlock insights from the vast space of unlabeled protein sequences by learning rich, semantic representations from primary sequences via masked language modeling. However, these models typically exhibit limited generative capacity. In this work, we introduce the Diffusion Sequence Model (DSM), a novel pLM trained with masked diffusion to enable both high-quality representation learning and generative protein design. DSM builds upon the ESM2 architecture by incorporating a masked forward diffusion process inspired by the LLaDA framework. After training, DSM is capable of generating diverse, biomimetic sequences that align with expected amino acid compositions, secondary structures, and predicted functions, even with 90\% token corruption. Furthermore, DSM's learned representations match or exceed those of similarly sized pLMs on downstream tasks. We also introduce DSM(ppi), a variant fine-tuned to generate protein binders by attending to target sequences. We demonstrate DSM(ppi)'s effectiveness on the challenging Bench-tested Binder Benchmark (BenchBB), where both DSM and DSM(ppi) produce candidates with superior predicted binding affinity compared to known binders. Our results establish masked diffusion as a powerful paradigm for unifying protein representation and generation in a single framework.

  • 4 authors
·
Jun 9

FaR: Enhancing Multi-Concept Text-to-Image Diffusion via Concept Fusion and Localized Refinement

Generating multiple new concepts remains a challenging problem in the text-to-image task. Current methods often overfit when trained on a small number of samples and struggle with attribute leakage, particularly for class-similar subjects (e.g., two specific dogs). In this paper, we introduce Fuse-and-Refine (FaR), a novel approach that tackles these challenges through two key contributions: Concept Fusion technique and Localized Refinement loss function. Concept Fusion systematically augments the training data by separating reference subjects from backgrounds and recombining them into composite images to increase diversity. This augmentation technique tackles the overfitting problem by mitigating the narrow distribution of the limited training samples. In addition, Localized Refinement loss function is introduced to preserve subject representative attributes by aligning each concept's attention map to its correct region. This approach effectively prevents attribute leakage by ensuring that the diffusion model distinguishes similar subjects without mixing their attention maps during the denoising process. By fine-tuning specific modules at the same time, FaR balances the learning of new concepts with the retention of previously learned knowledge. Empirical results show that FaR not only prevents overfitting and attribute leakage while maintaining photorealism, but also outperforms other state-of-the-art methods.

  • 7 authors
·
Apr 4

CoDeNet: Efficient Deployment of Input-Adaptive Object Detection on Embedded FPGAs

Deploying deep learning models on embedded systems has been challenging due to limited computing resources. The majority of existing work focuses on accelerating image classification, while other fundamental vision problems, such as object detection, have not been adequately addressed. Compared with image classification, detection problems are more sensitive to the spatial variance of objects, and therefore, require specialized convolutions to aggregate spatial information. To address this need, recent work introduces dynamic deformable convolution to augment regular convolutions. However, this will lead to inefficient memory accesses of inputs with existing hardware. In this work, we harness the flexibility of FPGAs to develop a novel object detection pipeline with deformable convolutions. We show the speed-accuracy tradeoffs for a set of algorithm modifications including irregular-access versus limited-range and fixed-shape. We then Co-Design a Network CoDeNet with the modified deformable convolution and quantize it to 4-bit weights and 8-bit activations. With our high-efficiency implementation, our solution reaches 26.9 frames per second with a tiny model size of 0.76 MB while achieving 61.7 AP50 on the standard object detection dataset, Pascal VOC. With our higher accuracy implementation, our model gets to 67.1 AP50 on Pascal VOC with only 2.9 MB of parameters-20.9x smaller but 10% more accurate than Tiny-YOLO.

  • 9 authors
·
Jun 12, 2020

T-JEPA: Augmentation-Free Self-Supervised Learning for Tabular Data

Self-supervision is often used for pre-training to foster performance on a downstream task by constructing meaningful representations of samples. Self-supervised learning (SSL) generally involves generating different views of the same sample and thus requires data augmentations that are challenging to construct for tabular data. This constitutes one of the main challenges of self-supervision for structured data. In the present work, we propose a novel augmentation-free SSL method for tabular data. Our approach, T-JEPA, relies on a Joint Embedding Predictive Architecture (JEPA) and is akin to mask reconstruction in the latent space. It involves predicting the latent representation of one subset of features from the latent representation of a different subset within the same sample, thereby learning rich representations without augmentations. We use our method as a pre-training technique and train several deep classifiers on the obtained representation. Our experimental results demonstrate a substantial improvement in both classification and regression tasks, outperforming models trained directly on samples in their original data space. Moreover, T-JEPA enables some methods to consistently outperform or match the performance of traditional methods likes Gradient Boosted Decision Trees. To understand why, we extensively characterize the obtained representations and show that T-JEPA effectively identifies relevant features for downstream tasks without access to the labels. Additionally, we introduce regularization tokens, a novel regularization method critical for training of JEPA-based models on structured data.

  • 5 authors
·
Oct 7, 2024

FBNetV3: Joint Architecture-Recipe Search using Predictor Pretraining

Neural Architecture Search (NAS) yields state-of-the-art neural networks that outperform their best manually-designed counterparts. However, previous NAS methods search for architectures under one set of training hyper-parameters (i.e., a training recipe), overlooking superior architecture-recipe combinations. To address this, we present Neural Architecture-Recipe Search (NARS) to search both (a) architectures and (b) their corresponding training recipes, simultaneously. NARS utilizes an accuracy predictor that scores architecture and training recipes jointly, guiding both sample selection and ranking. Furthermore, to compensate for the enlarged search space, we leverage "free" architecture statistics (e.g., FLOP count) to pretrain the predictor, significantly improving its sample efficiency and prediction reliability. After training the predictor via constrained iterative optimization, we run fast evolutionary searches in just CPU minutes to generate architecture-recipe pairs for a variety of resource constraints, called FBNetV3. FBNetV3 makes up a family of state-of-the-art compact neural networks that outperform both automatically and manually-designed competitors. For example, FBNetV3 matches both EfficientNet and ResNeSt accuracy on ImageNet with up to 2.0x and 7.1x fewer FLOPs, respectively. Furthermore, FBNetV3 yields significant performance gains for downstream object detection tasks, improving mAP despite 18% fewer FLOPs and 34% fewer parameters than EfficientNet-based equivalents.

  • 11 authors
·
Jun 3, 2020

Algorithm-hardware Co-design for Deformable Convolution

FPGAs provide a flexible and efficient platform to accelerate rapidly-changing algorithms for computer vision. The majority of existing work focuses on accelerating image classification, while other fundamental vision problems, including object detection and instance segmentation, have not been adequately addressed. Compared with image classification, detection problems are more sensitive to the spatial variance of objects, and therefore, require specialized convolutions to aggregate spatial information. To address this, recent work proposes dynamic deformable convolution to augment regular convolutions. Regular convolutions process a fixed grid of pixels across all the spatial locations in an image, while dynamic deformable convolutions may access arbitrary pixels in the image and the access pattern is input-dependent and varies per spatial location. These properties lead to inefficient memory accesses of inputs with existing hardware. In this work, we first investigate the overhead of the deformable convolution on embedded FPGA SoCs, and then show the accuracy-latency tradeoffs for a set of algorithm modifications including full versus depthwise, fixed-shape, and limited-range. These modifications benefit the energy efficiency for embedded devices in general as they reduce the compute complexity. We then build an efficient object detection network with modified deformable convolutions and quantize the network using state-of-the-art quantization methods. We implement a unified hardware engine on FPGA to support all the operations in the network. Preliminary experiments show that little accuracy is compromised and speedup can be achieved with our co-design optimization for the deformable convolution.

  • 8 authors
·
Feb 18, 2020

Retina U-Net: Embarrassingly Simple Exploitation of Segmentation Supervision for Medical Object Detection

The task of localizing and categorizing objects in medical images often remains formulated as a semantic segmentation problem. This approach, however, only indirectly solves the coarse localization task by predicting pixel-level scores, requiring ad-hoc heuristics when mapping back to object-level scores. State-of-the-art object detectors on the other hand, allow for individual object scoring in an end-to-end fashion, while ironically trading in the ability to exploit the full pixel-wise supervision signal. This can be particularly disadvantageous in the setting of medical image analysis, where data sets are notoriously small. In this paper, we propose Retina U-Net, a simple architecture, which naturally fuses the Retina Net one-stage detector with the U-Net architecture widely used for semantic segmentation in medical images. The proposed architecture recaptures discarded supervision signals by complementing object detection with an auxiliary task in the form of semantic segmentation without introducing the additional complexity of previously proposed two-stage detectors. We evaluate the importance of full segmentation supervision on two medical data sets, provide an in-depth analysis on a series of toy experiments and show how the corresponding performance gain grows in the limit of small data sets. Retina U-Net yields strong detection performance only reached by its more complex two-staged counterparts. Our framework including all methods implemented for operation on 2D and 3D images is available at github.com/pfjaeger/medicaldetectiontoolkit.

  • 7 authors
·
Nov 21, 2018

MatterGen: a generative model for inorganic materials design

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly generating entirely novel materials given desired property constraints. Despite recent progress, current generative models have low success rate in proposing stable crystals, or can only satisfy a very limited set of property constraints. Here, we present MatterGen, a model that generates stable, diverse inorganic materials across the periodic table and can further be fine-tuned to steer the generation towards a broad range of property constraints. To enable this, we introduce a new diffusion-based generative process that produces crystalline structures by gradually refining atom types, coordinates, and the periodic lattice. We further introduce adapter modules to enable fine-tuning towards any given property constraints with a labeled dataset. Compared to prior generative models, structures produced by MatterGen are more than twice as likely to be novel and stable, and more than 15 times closer to the local energy minimum. After fine-tuning, MatterGen successfully generates stable, novel materials with desired chemistry, symmetry, as well as mechanical, electronic and magnetic properties. Finally, we demonstrate multi-property materials design capabilities by proposing structures that have both high magnetic density and a chemical composition with low supply-chain risk. We believe that the quality of generated materials and the breadth of MatterGen's capabilities represent a major advancement towards creating a universal generative model for materials design.

  • 21 authors
·
Dec 6, 2023