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Aug 6

DesignSense: A Human Preference Dataset and Reward Modeling Framework for Graphic Layout Generation

Graphic layouts serve as an important and engaging medium for visual communication across different channels. While recent layout generation models have demonstrated impressive capabilities, they frequently fail to align with nuanced human aesthetic judgment. Existing preference datasets and reward models trained on text-to-image generation do not generalize to layout evaluation, where the spatial arrangement of identical elements determines quality. To address this critical gap, we introduce DesignSense-10k, a large-scale dataset of 10,235 human-annotated preference pairs for graphic layout evaluation. We propose a five-stage curation pipeline that generates visually coherent layout transformations across diverse aspect ratios, using semantic grouping, layout prediction, filtering, clustering, and VLM-based refinement to produce high-quality comparison pairs. Human preferences are annotated using a 4-class scheme (left, right, both good, both bad) to capture subjective ambiguity. Leveraging this dataset, we train DesignSense, a vision-language model-based classifier that substantially outperforms existing open-source and proprietary models across comprehensive evaluation metrics (54.6% improvement in Macro F1 over the strongest proprietary baseline). Our analysis shows that frontier VLMs remain unreliable overall and fail catastrophically on the full four-class task, underscoring the need for specialized, preference-aware models. Beyond the dataset, our reward model DesignSense yields tangible downstream gains in layout generation. Using our judge during RL based training improves generator win rate by about 3%, while inference-time scaling, which involves generating multiple candidates and selecting the best one, provides a 3.6% improvement. These results highlight the practical impact of specialized, layout-aware preference modeling on real-world layout generation quality.

  • 9 authors
·
Feb 25

ChemFM as a Scaling Law Guided Foundation Model Pre-trained on Informative Chemicals

Traditional AI methods often rely on task-specific model designs and training, which constrain both the scalability of model size and generalization across different tasks. Here, we introduce ChemFM, a large foundation model specifically developed for chemicals. By conducting a series of scaling experiments, we identify UniChem as the informative molecular database for pre-training the foundation model. ChemFM comprises 3 billion parameters and is pre-trained on 178 million molecules using self-supervised causal language modeling to extract generalizable molecular representations. This model can be adapted to diverse downstream chemical applications using either full-parameter or parameter-efficient fine-tuning methods. ChemFM consistently outperforms state-of-the-art task-specific AI models across all tested tasks. Notably, it achieves up to 67.48% performance improvement across 34 property prediction benchmarks, up to 33.80% reduction in mean average deviation between conditioned and actual properties of generated molecules in conditional molecular generation tasks, and up to 3.7% top-1 accuracy improvement across 4 reaction prediction datasets. Moreover, ChemFM demonstrates its superior performance in predicting antibiotic activity and cytotoxicity, highlighting its potential to advance the discovery of novel antibiotics. Furthermore, we demonstrate that, as a foundation model, ChemFM exhibits strong data efficiency, requiring significantly fewer labeled training samples to achieve state-of-the-art performance. We anticipate that ChemFM will significantly advance chemistry research by providing a foundation model capable of effectively generalizing across a broad range of tasks with minimal additional training.

  • 9 authors
·
Oct 28, 2024

Exploring Diffusion Transformer Designs via Grafting

Designing model architectures requires decisions such as selecting operators (e.g., attention, convolution) and configurations (e.g., depth, width). However, evaluating the impact of these decisions on model quality requires costly pretraining, limiting architectural investigation. Inspired by how new software is built on existing code, we ask: can new architecture designs be studied using pretrained models? To this end, we present grafting, a simple approach for editing pretrained diffusion transformers (DiTs) to materialize new architectures under small compute budgets. Informed by our analysis of activation behavior and attention locality, we construct a testbed based on the DiT-XL/2 design to study the impact of grafting on model quality. Using this testbed, we develop a family of hybrid designs via grafting: replacing softmax attention with gated convolution, local attention, and linear attention, and replacing MLPs with variable expansion ratio and convolutional variants. Notably, many hybrid designs achieve good quality (FID: 2.38-2.64 vs. 2.27 for DiT-XL/2) using <2% pretraining compute. We then graft a text-to-image model (PixArt-Sigma), achieving a 1.43x speedup with less than a 2% drop in GenEval score. Finally, we present a case study that restructures DiT-XL/2 by converting every pair of sequential transformer blocks into parallel blocks via grafting. This reduces model depth by 2x and yields better quality (FID: 2.77) than other models of comparable depth. Together, we show that new diffusion model designs can be explored by grafting pretrained DiTs, with edits ranging from operator replacement to architecture restructuring. Code and grafted models: https://grafting.stanford.edu

  • 12 authors
·
Jun 5, 2025

Interpret the Internal States of Recommendation Model with Sparse Autoencoder

Explainable recommendation systems are important to enhance transparency, accuracy, and fairness. Beyond result-level explanations, model-level interpretations can provide valuable insights that allow developers to optimize system designs and implement targeted improvements. However, most current approaches depend on specialized model designs, which often lack generalization capabilities. Given the various kinds of recommendation models, existing methods have limited ability to effectively interpret them. To address this issue, we propose RecSAE, an automatic, generalizable probing method for interpreting the internal states of Recommendation models with Sparse AutoEncoder. RecSAE serves as a plug-in module that does not affect original models during interpretations, while also enabling predictable modifications to their behaviors based on interpretation results. Firstly, we train an autoencoder with sparsity constraints to reconstruct internal activations of recommendation models, making the RecSAE latents more interpretable and monosemantic than the original neuron activations. Secondly, we automated the construction of concept dictionaries based on the relationship between latent activations and input item sequences. Thirdly, RecSAE validates these interpretations by predicting latent activations on new item sequences using the concept dictionary and deriving interpretation confidence scores from precision and recall. We demonstrate RecSAE's effectiveness on two datasets, identifying hundreds of highly interpretable concepts from pure ID-based models. Latent ablation studies further confirm that manipulating latent concepts produces corresponding changes in model output behavior, underscoring RecSAE's utility for both understanding and targeted tuning recommendation models. Code and data are publicly available at https://github.com/Alice1998/RecSAE.

  • 4 authors
·
Nov 9, 2024

Unicorn: Unified Neural Image Compression with One Number Reconstruction

Prevalent lossy image compression schemes can be divided into: 1) explicit image compression (EIC), including traditional standards and neural end-to-end algorithms; 2) implicit image compression (IIC) based on implicit neural representations (INR). The former is encountering impasses of either leveling off bitrate reduction at a cost of tremendous complexity while the latter suffers from excessive smoothing quality as well as lengthy decoder models. In this paper, we propose an innovative paradigm, which we dub Unicorn (Unified Neural Image Compression with One Nnumber Reconstruction). By conceptualizing the images as index-image pairs and learning the inherent distribution of pairs in a subtle neural network model, Unicorn can reconstruct a visually pleasing image from a randomly generated noise with only one index number. The neural model serves as the unified decoder of images while the noises and indexes corresponds to explicit representations. As a proof of concept, we propose an effective and efficient prototype of Unicorn based on latent diffusion models with tailored model designs. Quantitive and qualitative experimental results demonstrate that our prototype achieves significant bitrates reduction compared with EIC and IIC algorithms. More impressively, benefitting from the unified decoder, our compression ratio escalates as the quantity of images increases. We envision that more advanced model designs will endow Unicorn with greater potential in image compression. We will release our codes in https://github.com/uniqzheng/Unicorn-Laduree.

  • 11 authors
·
Dec 11, 2024

Towards Category Unification of 3D Single Object Tracking on Point Clouds

Category-specific models are provenly valuable methods in 3D single object tracking (SOT) regardless of Siamese or motion-centric paradigms. However, such over-specialized model designs incur redundant parameters, thus limiting the broader applicability of 3D SOT task. This paper first introduces unified models that can simultaneously track objects across all categories using a single network with shared model parameters. Specifically, we propose to explicitly encode distinct attributes associated to different object categories, enabling the model to adapt to cross-category data. We find that the attribute variances of point cloud objects primarily occur from the varying size and shape (e.g., large and square vehicles v.s. small and slender humans). Based on this observation, we design a novel point set representation learning network inheriting transformer architecture, termed AdaFormer, which adaptively encodes the dynamically varying shape and size information from cross-category data in a unified manner. We further incorporate the size and shape prior derived from the known template targets into the model's inputs and learning objective, facilitating the learning of unified representation. Equipped with such designs, we construct two category-unified models SiamCUT and MoCUT.Extensive experiments demonstrate that SiamCUT and MoCUT exhibit strong generalization and training stability. Furthermore, our category-unified models outperform the category-specific counterparts by a significant margin (e.g., on KITTI dataset, 12% and 3% performance gains on the Siamese and motion paradigms). Our code will be available.

  • 6 authors
·
Jan 20, 2024

Can World Models Benefit VLMs for World Dynamics?

Trained on internet-scale video data, generative world models are increasingly recognized as powerful world simulators that can generate consistent and plausible dynamics over structure, motion, and physics. This raises a natural question: with the advent of strong video foundational models, might they supplant conventional vision encoder paradigms for general-purpose multimodal understanding? While recent studies have begun to explore the potential of world models on common vision tasks, these explorations typically lack a systematic investigation of generic, multimodal tasks. In this work, we strive to investigate the capabilities when world model priors are transferred into Vision-Language Models: we re-purpose a video diffusion model as a generative encoder to perform a single denoising step and treat the resulting latents as a set of visual embedding. We empirically investigate this class of models, which we refer to as World-Language Models (WorldLMs), and we find that generative encoders can capture latents useful for downstream understanding that show distinctions from conventional encoders. Naming our best-performing variant Dynamic Vision Aligner (DyVA), we further discover that this method significantly enhances spatial reasoning abilities and enables single-image models to perform multi-frame reasoning. Through the curation of a suite of visual reasoning tasks, we find DyVA to surpass both open-source and proprietary baselines, achieving state-of-the-art or comparable performance. We attribute these gains to WorldLM's inherited motion-consistency internalization from video pre-training. Finally, we systematically explore extensive model designs to highlight promising directions for future work. We hope our study can pave the way for a new family of VLMs that leverage priors from world models and are on a promising path towards generalist vision learners.

PekingUniversity Peking University
·
Oct 1, 2025

RecurrentGPT: Interactive Generation of (Arbitrarily) Long Text

The fixed-size context of Transformer makes GPT models incapable of generating arbitrarily long text. In this paper, we introduce RecurrentGPT, a language-based simulacrum of the recurrence mechanism in RNNs. RecurrentGPT is built upon a large language model (LLM) such as ChatGPT and uses natural language to simulate the Long Short-Term Memory mechanism in an LSTM. At each timestep, RecurrentGPT generates a paragraph of text and updates its language-based long-short term memory stored on the hard drive and the prompt, respectively. This recurrence mechanism enables RecurrentGPT to generate texts of arbitrary length without forgetting. Since human users can easily observe and edit the natural language memories, RecurrentGPT is interpretable and enables interactive generation of long text. RecurrentGPT is an initial step towards next-generation computer-assisted writing systems beyond local editing suggestions. In addition to producing AI-generated content (AIGC), we also demonstrate the possibility of using RecurrentGPT as an interactive fiction that directly interacts with consumers. We call this usage of generative models by ``AI As Contents'' (AIAC), which we believe is the next form of conventional AIGC. We further demonstrate the possibility of using RecurrentGPT to create personalized interactive fiction that directly interacts with readers instead of interacting with writers. More broadly, RecurrentGPT demonstrates the utility of borrowing ideas from popular model designs in cognitive science and deep learning for prompting LLMs. Our code is available at https://github.com/aiwaves-cn/RecurrentGPT and an online demo is available at https://www.aiwaves.org/recurrentgpt.

  • 8 authors
·
May 22, 2023 2

Re^2TAL: Rewiring Pretrained Video Backbones for Reversible Temporal Action Localization

Temporal action localization (TAL) requires long-form reasoning to predict actions of various durations and complex content. Given limited GPU memory, training TAL end to end (i.e., from videos to predictions) on long videos is a significant challenge. Most methods can only train on pre-extracted features without optimizing them for the localization problem, consequently limiting localization performance. In this work, to extend the potential in TAL networks, we propose a novel end-to-end method Re2TAL, which rewires pretrained video backbones for reversible TAL. Re2TAL builds a backbone with reversible modules, where the input can be recovered from the output such that the bulky intermediate activations can be cleared from memory during training. Instead of designing one single type of reversible module, we propose a network rewiring mechanism, to transform any module with a residual connection to a reversible module without changing any parameters. This provides two benefits: (1) a large variety of reversible networks are easily obtained from existing and even future model designs, and (2) the reversible models require much less training effort as they reuse the pre-trained parameters of their original non-reversible versions. Re2TAL, only using the RGB modality, reaches 37.01% average mAP on ActivityNet-v1.3, a new state-of-the-art record, and mAP 64.9% at tIoU=0.5 on THUMOS-14, outperforming all other RGB-only methods.

  • 4 authors
·
Nov 25, 2022

Edge Deep Learning for Neural Implants

Implanted devices providing real-time neural activity classification and control are increasingly used to treat neurological disorders, such as epilepsy and Parkinson's disease. Classification performance is critical to identifying brain states appropriate for the therapeutic action. However, advanced algorithms that have shown promise in offline studies, in particular deep learning (DL) methods, have not been deployed on resource-restrained neural implants. Here, we designed and optimized three embedded DL models of commonly adopted architectures and evaluated their inference performance in a case study of seizure detection. A deep neural network (DNN), a convolutional neural network (CNN), and a long short-term memory (LSTM) network were designed to classify ictal, preictal, and interictal phases from the CHB-MIT scalp EEG database. After iterative model compression and quantization, the algorithms were deployed on a general-purpose, off-the-shelf microcontroller. Inference sensitivity, false positive rate, execution time, memory size, and power consumption were quantified. For seizure event detection, the sensitivity and FPR (h-1) for the DNN, CNN, and LSTM models were 87.36%/0.169, 96.70%/0.102, and 97.61%/0.071, respectively. Predicting seizures for early warnings was also feasible. The implemented compression and quantization achieved a significant saving of power and memory with an accuracy degradation of less than 0.5%. Edge DL models achieved performance comparable to many prior implementations that had no time or computational resource limitations. Generic microcontrollers can provide the required memory and computational resources, while model designs can be migrated to ASICs for further optimization. The results suggest that edge DL inference is a feasible option for future neural implants to improve classification performance and therapeutic outcomes.

  • 2 authors
·
Dec 1, 2020

Towards Data-centric Machine Learning on Directed Graphs: a Survey

In recent years, Graph Neural Networks (GNNs) have made significant advances in processing structured data. However, most of them primarily adopted a model-centric approach, which simplifies graphs by converting them into undirected formats and emphasizes model designs. This approach is inherently limited in real-world applications due to the unavoidable information loss in simple undirected graphs and the model optimization challenges that arise when exceeding the upper bounds of this sub-optimal data representational capacity. As a result, there has been a shift toward data-centric methods that prioritize improving graph quality and representation. Specifically, various types of graphs can be derived from naturally structured data, including heterogeneous graphs, hypergraphs, and directed graphs. Among these, directed graphs offer distinct advantages in topological systems by modeling causal relationships, and directed GNNs have been extensively studied in recent years. However, a comprehensive survey of this emerging topic is still lacking. Therefore, we aim to provide a comprehensive review of directed graph learning, with a particular focus on a data-centric perspective. Specifically, we first introduce a novel taxonomy for existing studies. Subsequently, we re-examine these methods from the data-centric perspective, with an emphasis on understanding and improving data representation. It demonstrates that a deep understanding of directed graphs and their quality plays a crucial role in model performance. Additionally, we explore the diverse applications of directed GNNs across 10+ domains, highlighting their broad applicability. Finally, we identify key opportunities and challenges within the field, offering insights that can guide future research and development in directed graph learning.

  • 6 authors
·
Nov 28, 2024

FourierGNN: Rethinking Multivariate Time Series Forecasting from a Pure Graph Perspective

Multivariate time series (MTS) forecasting has shown great importance in numerous industries. Current state-of-the-art graph neural network (GNN)-based forecasting methods usually require both graph networks (e.g., GCN) and temporal networks (e.g., LSTM) to capture inter-series (spatial) dynamics and intra-series (temporal) dependencies, respectively. However, the uncertain compatibility of the two networks puts an extra burden on handcrafted model designs. Moreover, the separate spatial and temporal modeling naturally violates the unified spatiotemporal inter-dependencies in real world, which largely hinders the forecasting performance. To overcome these problems, we explore an interesting direction of directly applying graph networks and rethink MTS forecasting from a pure graph perspective. We first define a novel data structure, hypervariate graph, which regards each series value (regardless of variates or timestamps) as a graph node, and represents sliding windows as space-time fully-connected graphs. This perspective considers spatiotemporal dynamics unitedly and reformulates classic MTS forecasting into the predictions on hypervariate graphs. Then, we propose a novel architecture Fourier Graph Neural Network (FourierGNN) by stacking our proposed Fourier Graph Operator (FGO) to perform matrix multiplications in Fourier space. FourierGNN accommodates adequate expressiveness and achieves much lower complexity, which can effectively and efficiently accomplish the forecasting. Besides, our theoretical analysis reveals FGO's equivalence to graph convolutions in the time domain, which further verifies the validity of FourierGNN. Extensive experiments on seven datasets have demonstrated our superior performance with higher efficiency and fewer parameters compared with state-of-the-art methods.

  • 9 authors
·
Nov 9, 2023

DrugGen 2: A disease-aware language model for enhancing drug discovery

Current computational approaches for drug design typically focus on generating molecules conditioned on specific targets or general molecular properties, often neglecting the influence of disease context on target behavior and therapeutic outcomes. To address this gap, we introduce DrugGen-2, a novel generative model that designs small molecules conditioned on both disease ontology and target protein sequences. DrugGen-2 was developed by fine-tuning a pre-trained GPT-2 model on a curated dataset of approved drugs linked to their diseases and targets, using a two-step strategy of supervised fine-tuning followed by reinforcement learning via group relative policy optimization (GRPO). This process was guided by reward functions optimizing for chemical validity, novelty, diversity, and high predicted binding affinity. When evaluated on five protein targets relevant to diabetic nephropathy, DrugGen-2 significantly outperformed baseline models (DrugGPT and DrugGen). It demonstrated a superior capacity to generate unique molecules, exhibited greater structural similarity to approved drugs, and achieved improved predicted binding affinities across all targets. Molecular docking analyses further supported these findings, identifying candidate ligands with strong binding potential, including compounds with predicted affinities (-9.917, -9.485, and -9.367) exceeding those of reference drugs such as enalapril for angiotensin-converting enzyme (-8.283). By integrating disease-specific context into molecular generation, DrugGen-2 advances AI-assisted drug discovery, offering a powerful tool for de novo design and drug repurposing that accounts for the complex interplay between diseases and molecular targets.

  • 7 authors
·
Jul 8 3

Generative AI Beyond LLMs: System Implications of Multi-Modal Generation

As the development of large-scale Generative AI models evolve beyond text (1D) generation to include image (2D) and video (3D) generation, processing spatial and temporal information presents unique challenges to quality, performance, and efficiency. We present the first work towards understanding this new system design space for multi-modal text-to-image (TTI) and text-to-video (TTV) generation models. Current model architecture designs are bifurcated into 2 categories: Diffusion- and Transformer-based models. Our systematic performance characterization on a suite of eight representative TTI/TTV models shows that after state-of-the-art optimization techniques such as Flash Attention are applied, Convolution accounts for up to 44% of execution time for Diffusion-based TTI models, while Linear layers consume up to 49% of execution time for Transformer-based models. We additionally observe that Diffusion-based TTI models resemble the Prefill stage of LLM inference, and benefit from 1.1-2.5x greater speedup from Flash Attention than Transformer-based TTI models that resemble the Decode phase. Since optimizations designed for LLMs do not map directly onto TTI/TTV models, we must conduct a thorough characterization of these workloads to gain insights for new optimization opportunities. In doing so, we define sequence length in the context of TTI/TTV models and observe sequence length can vary up to 4x in Diffusion model inference. We additionally observe temporal aspects of TTV workloads pose unique system bottlenecks, with Temporal Attention accounting for over 60% of total Attention time. Overall, our in-depth system performance characterization is a critical first step towards designing efficient and deployable systems for emerging TTI/TTV workloads.

  • 11 authors
·
Dec 21, 2023 1

Single-Rollout Asynchronous Optimization for Agentic Reinforcement Learning

Reinforcement learning (RL) is becoming increasingly important for post-training large language models (LLMs). Previous RL pipelines for LLMs were mostly synchronous and batch-interleaved, which is inefficient for long-horizon agentic tasks. Recently, asynchronous RL has emerged as a more efficient alternative by updating the model as rollouts arrive. However, existing asynchronous RL systems often emphasize throughput, while leaving training stability and task effectiveness largely underexplored. For example, a key challenge is that group-wise sampling in the widely-used GRPO framework does not naturally fit asynchronous agentic training. In this paper, we present Single-rollout Asynchronous Optimization (SAO) to address the stability and off-policy challenges in asynchronous RL. To reduce off-policy effects and improve generalization, we replace group-wise sampling with single-rollout sampling, that is, using one rollout per prompt. We further improve this single-rollout strategy with practical value-model training designs. To improve optimization stability, we introduce a strict double-side token-level clipping strategy. SAO is able to train stably for one thousand steps and consistently outperform GRPO and its variants on agentic coding and reasoning benchmarks, such as SWE-Bench Verified, BeyondAIME, and IMOAnswerBench. We also demonstrate that single-rollout RL is particularly effective in a simulated online learning setting, where the model must adapt to changing evolving environments. To this end, SAO is successfully deployed in the agentic RL pipeline for training the open GLM-5.2 model (750B-A40B).

zai-org Z.ai
·
Jul 7 2

SimSD: Simple Speculative Decoding in Diffusion Language Models

Diffusion large language models (dLLMs) have recently emerged as a promising alternative to autoregressive (AR) LLMs, offering faster inference through parallel or blockwise decoding. However, their masked language modeling formulation remains incompatible with standard token-level speculative decoding, one of the most effective acceleration techniques for AR models. In AR decoding, the causal mask preserves temporally valid token-level contexts, enabling a target model to verify multiple drafted tokens in a single forward pass. In contrast, dLLMs rely on mask tokens and bidirectional attention, causing the effective context to change across denoising steps and preventing direct token-level speculative verification. To bridge this gap, we propose a simple but effective speculative decoding algorithm for diffusion language models, named SimSD, which mainly adopts a plug-and-play masking strategy that equips dLLMs with temporally valid token-level contexts for speculative decoding. Our method explicitly introduces reference tokens from draft-model predictions and designs an attention mask that regulates their interaction with current-step tokens, allowing dLLMs to compute valid logits for drafted tokens in a single forward pass. This restores the key verification ability provided by causal masking in AR models while preserving the parallel decoding advantages of dLLMs. The proposed method is training-free and can be flexibly integrated with other acceleration techniques such as KV cache and blockwise decoding. Experiments on SDAR-family dLLMs across four benchmarks show that our method achieves up to 7.46x higher decoding throughput while maintaining and even improving average generation quality.

  • 12 authors
·
May 31

BlackMarks: Blackbox Multibit Watermarking for Deep Neural Networks

Deep Neural Networks have created a paradigm shift in our ability to comprehend raw data in various important fields ranging from computer vision and natural language processing to intelligence warfare and healthcare. While DNNs are increasingly deployed either in a white-box setting where the model internal is publicly known, or a black-box setting where only the model outputs are known, a practical concern is protecting the models against Intellectual Property (IP) infringement. We propose BlackMarks, the first end-to-end multi-bit watermarking framework that is applicable in the black-box scenario. BlackMarks takes the pre-trained unmarked model and the owner's binary signature as inputs and outputs the corresponding marked model with a set of watermark keys. To do so, BlackMarks first designs a model-dependent encoding scheme that maps all possible classes in the task to bit '0' and bit '1' by clustering the output activations into two groups. Given the owner's watermark signature (a binary string), a set of key image and label pairs are designed using targeted adversarial attacks. The watermark (WM) is then embedded in the prediction behavior of the target DNN by fine-tuning the model with generated WM key set. To extract the WM, the remote model is queried by the WM key images and the owner's signature is decoded from the corresponding predictions according to the designed encoding scheme. We perform a comprehensive evaluation of BlackMarks's performance on MNIST, CIFAR10, ImageNet datasets and corroborate its effectiveness and robustness. BlackMarks preserves the functionality of the original DNN and incurs negligible WM embedding runtime overhead as low as 2.054%.

  • 3 authors
·
Mar 31, 2019

DeepSpeed-MoE: Advancing Mixture-of-Experts Inference and Training to Power Next-Generation AI Scale

As the training of giant dense models hits the boundary on the availability and capability of the hardware resources today, Mixture-of-Experts (MoE) models become one of the most promising model architectures due to their significant training cost reduction compared to a quality-equivalent dense model. Its training cost saving is demonstrated from encoder-decoder models (prior works) to a 5x saving for auto-aggressive language models (this work along with parallel explorations). However, due to the much larger model size and unique architecture, how to provide fast MoE model inference remains challenging and unsolved, limiting its practical usage. To tackle this, we present DeepSpeed-MoE, an end-to-end MoE training and inference solution as part of the DeepSpeed library, including novel MoE architecture designs and model compression techniques that reduce MoE model size by up to 3.7x, and a highly optimized inference system that provides 7.3x better latency and cost compared to existing MoE inference solutions. DeepSpeed-MoE offers an unprecedented scale and efficiency to serve massive MoE models with up to 4.5x faster and 9x cheaper inference compared to quality-equivalent dense models. We hope our innovations and systems help open a promising path to new directions in the large model landscape, a shift from dense to sparse MoE models, where training and deploying higher-quality models with fewer resources becomes more widely possible.

  • 8 authors
·
Jan 14, 2022

How to Build a Pre-trained Multimodal model for Simultaneously Chatting and Decision-making?

Existing large pre-trained models typically map text input to text output in an end-to-end manner, such as ChatGPT, or map a segment of text input to a hierarchy of action decisions, such as OpenVLA. However, humans can simultaneously generate text and actions when receiving specific input signals. For example, a driver can make precise driving decisions while conversing with a friend in the passenger seat. Motivated by this observation, we consider the following question in this work: is it possible to construct a pre-trained model that can provide both language interaction and precise decision-making capabilities in dynamic open scenarios. We provide a definitive answer to this question by developing a new model architecture termed Visual Language Action model for Chatting and Decision Making (VLA4CD), and further demonstrating its performance in challenging autonomous driving tasks. Specifically, we leverage LoRA to fine-tune a pre-trained LLM with data of multiple modalities covering language, visual, and action. Unlike the existing LoRA operations used for LLM fine-tuning, we have designed new computational modules and training cost functions for VLA4CD. These designs enable VLA4CD to provide continuous-valued action decisions while outputting text responses. In contrast, existing LLMs can only output text responses, and current VLA models can only output action decisions. Moreover, these VLA models handle action data by discretizing and then tokenizing the discretized actions, a method unsuitable for complex decision-making tasks involving high-dimensional continuous-valued action vectors, such as autonomous driving. The experimental results on CARLA validate that: (1) our proposed model construction method is effective; (2) compared to the SOTA VLA model, VLA4CD can provide more accurate real-time decision-making while retaining the text interaction capability inherent to LLMs.

  • 6 authors
·
Oct 21, 2024

Dasheng AudioGen: A Unified Model for Generating Coherent Audio Scenes from Text

Audio generation has long been fragmented, with speech, music, and sound effects produced by domain-specific models that fail to jointly generate coherent audio scenes from a single description. The key obstacles are insufficient fine-grained supervision for real-world mixed audio and limited acoustic representations for modeling concurrent audio components. We present Dasheng AudioGen, a unified framework for generating general mixed-audio scenes from text. Dasheng AudioGen introduces structured multi-view captions, which explicitly decouple complex acoustic scenes into complementary description views, thereby enabling fine-grained control over audio layers. Furthermore, we employ a high-dimensional unified semantic-acoustic representation as the shared latent space. It injects semantic priors that facilitate cross-modal training convergence, while its high-dimensional feature space provides sufficient capacity to disentangle and fuse concurrent audio components effectively. With these designs, a simple flow-matching DiT achieves high-quality end-to-end audio scene generation. We also establish a comprehensive evaluation pipeline for audio scene generation. Experiments demonstrate that Dasheng AudioGen achieves performance approaching real-world recordings in mixed-audio categories, while remaining competitive with specialized models in single-type generation tasks. Demos are available at https://nieeim.github.io/Dasheng-AudioGen-Web/.

  • 10 authors
·
May 26

RDT-1B: a Diffusion Foundation Model for Bimanual Manipulation

Bimanual manipulation is essential in robotics, yet developing foundation models is extremely challenging due to the inherent complexity of coordinating two robot arms (leading to multi-modal action distributions) and the scarcity of training data. In this paper, we present the Robotics Diffusion Transformer (RDT), a pioneering diffusion foundation model for bimanual manipulation. RDT builds on diffusion models to effectively represent multi-modality, with innovative designs of a scalable Transformer to deal with the heterogeneity of multi-modal inputs and to capture the nonlinearity and high frequency of robotic data. To address data scarcity, we further introduce a Physically Interpretable Unified Action Space, which can unify the action representations of various robots while preserving the physical meanings of original actions, facilitating learning transferrable physical knowledge. With these designs, we managed to pre-train RDT on the largest collection of multi-robot datasets to date and scaled it up to 1.2B parameters, which is the largest diffusion-based foundation model for robotic manipulation. We finally fine-tuned RDT on a self-created multi-task bimanual dataset with over 6K+ episodes to refine its manipulation capabilities. Experiments on real robots demonstrate that RDT significantly outperforms existing methods. It exhibits zero-shot generalization to unseen objects and scenes, understands and follows language instructions, learns new skills with just 1~5 demonstrations, and effectively handles complex, dexterous tasks. We refer to https://rdt-robotics.github.io/rdt-robotics/ for the code and videos.

  • 9 authors
·
Oct 10, 2024

Large Depth Completion Model from Sparse Observations

This work presents the Large Depth Completion Model (LDCM), a simple, effective, and robust framework for single-view metric depth estimation with sparse observations. Without relying on complex architectural designs, LDCM generates metric-accurate dense depth maps using a transformer. It outperforms existing approaches across diverse datasets and sparse observations. We achieve this from two key perspectives: (1) leveraging existing monocular foundation models to improve the quality of sparse depth inputs, and (2) reformulating training objectives to better capture geometric structure and metric consistency. Specifically, a Poisson-based depth initialization strategy is first introduced to generate a uniform coarse dense depth map from diverse sparse observations, providing a strong structural prior for the network. Regarding the training objective, we replace the conventional depth head with a point map head that regresses per-pixel 3D coordinates in camera space, enabling the model to directly learn the underlying 3D scene structure instead of performing pixel-wise depth map restoration. Moreover, this design eliminates the need for camera intrinsic parameters, allowing LDCM to naturally produce metric-scaled 3D point maps. Extensive experiments demonstrate that LDCM consistently outperforms state-of-the-art methods across multiple benchmarks and varying sparsity levels in both depth completion and point map estimation, showcasing its effectiveness and strong generalization to unseen data distributions.

  • 10 authors
·
May 27

SATURN: SAT-based Reinforcement Learning to Unleash Language Model Reasoning

How to design reinforcement learning (RL) tasks that effectively unleash the reasoning capability of large language models (LLMs) remains an open question. Existing RL tasks (e.g., math, programming, and constructing reasoning tasks) suffer from three key limitations: (1) Scalability. They rely heavily on human annotation or expensive LLM synthesis to generate sufficient training data. (2) Verifiability. LLMs' outputs are hard to verify automatically and reliably. (3) Controllable Difficulty. Most tasks lack fine-grained difficulty control, making it hard to train LLMs to develop reasoning ability from easy to hard. To address these limitations, we propose Saturn, a SAT-based RL framework that uses Boolean Satisfiability (SAT) problems to train and evaluate LLM reasoning. Saturn enables scalable task construction, rule-based verification, and precise difficulty control. Saturn designs a curriculum learning pipeline that continuously improves LLMs' reasoning capability by constructing SAT tasks of increasing difficulty and training LLMs from easy to hard. To ensure stable training, we design a principled mechanism to control difficulty transitions. We introduce Saturn-2.6k, a dataset of 2,660 SAT problems with varying difficulty. It supports the evaluation of how LLM reasoning changes with problem difficulty. We apply Saturn to DeepSeek-R1-Distill-Qwen and obtain Saturn-1.5B and Saturn-7B. We achieve several notable results: (1) On SAT problems, Saturn-1.5B and Saturn-7B achieve average pass@3 improvements of +14.0 and +28.1, respectively. (2) On math and programming tasks, Saturn-1.5B and Saturn-7B improve average scores by +4.9 and +1.8 on benchmarks (e.g., AIME, LiveCodeBench). (3) Compared to the state-of-the-art (SOTA) approach in constructing RL tasks, Saturn achieves further improvements of +8.8%. We release the source code, data, and models to support future research.

  • 6 authors
·
May 22, 2025

DiffusionEdge: Diffusion Probabilistic Model for Crisp Edge Detection

Limited by the encoder-decoder architecture, learning-based edge detectors usually have difficulty predicting edge maps that satisfy both correctness and crispness. With the recent success of the diffusion probabilistic model (DPM), we found it is especially suitable for accurate and crisp edge detection since the denoising process is directly applied to the original image size. Therefore, we propose the first diffusion model for the task of general edge detection, which we call DiffusionEdge. To avoid expensive computational resources while retaining the final performance, we apply DPM in the latent space and enable the classic cross-entropy loss which is uncertainty-aware in pixel level to directly optimize the parameters in latent space in a distillation manner. We also adopt a decoupled architecture to speed up the denoising process and propose a corresponding adaptive Fourier filter to adjust the latent features of specific frequencies. With all the technical designs, DiffusionEdge can be stably trained with limited resources, predicting crisp and accurate edge maps with much fewer augmentation strategies. Extensive experiments on four edge detection benchmarks demonstrate the superiority of DiffusionEdge both in correctness and crispness. On the NYUDv2 dataset, compared to the second best, we increase the ODS, OIS (without post-processing) and AC by 30.2%, 28.1% and 65.1%, respectively. Code: https://github.com/GuHuangAI/DiffusionEdge.

  • 5 authors
·
Jan 3, 2024

MegaScale: Scaling Large Language Model Training to More Than 10,000 GPUs

We present the design, implementation and engineering experience in building and deploying MegaScale, a production system for training large language models (LLMs) at the scale of more than 10,000 GPUs. Training LLMs at this scale brings unprecedented challenges to training efficiency and stability. We take a full-stack approach that co-designs the algorithmic and system components across model block and optimizer design, computation and communication overlapping, operator optimization, data pipeline, and network performance tuning. Maintaining high efficiency throughout the training process (i.e., stability) is an important consideration in production given the long extent of LLM training jobs. Many hard stability issues only emerge at large scale, and in-depth observability is the key to address them. We develop a set of diagnosis tools to monitor system components and events deep in the stack, identify root causes, and derive effective techniques to achieve fault tolerance and mitigate stragglers. MegaScale achieves 55.2% Model FLOPs Utilization (MFU) when training a 175B LLM model on 12,288 GPUs, improving the MFU by 1.34x compared to Megatron-LM. We share our operational experience in identifying and fixing failures and stragglers. We hope by articulating the problems and sharing our experience from a systems perspective, this work can inspire future LLM systems research.

  • 32 authors
·
Feb 23, 2024 2

Generative Discovery of Novel Chemical Designs using Diffusion Modeling and Transformer Deep Neural Networks with Application to Deep Eutectic Solvents

We report a series of deep learning models to solve complex forward and inverse design problems in molecular modeling and design. Using both diffusion models inspired by nonequilibrium thermodynamics and attention-based transformer architectures, we demonstrate a flexible framework to capture complex chemical structures. First trained on the QM9 dataset and a series of quantum mechanical properties (e.g. homo, lumo, free energy, heat capacity, etc.), we then generalize the model to study and design key properties of deep eutectic solvents. In addition to separate forward and inverse models, we also report an integrated fully prompt-based multi-task generative pretrained transformer model that solves multiple forward, inverse design, and prediction tasks, flexibly and within one model. We show that the multi-task generative model has the overall best performance and allows for flexible integration of multiple objectives, within one model, and for distinct chemistries, suggesting that synergies emerge during training of this large language model. Trained jointly in tasks related to the QM9 dataset and deep eutectic solvents (DESs), the model can predict various quantum mechanical properties and critical properties to achieve deep eutectic solvent behavior. Several novel combinations of DESs are proposed based on this framework.

  • 3 authors
·
Apr 24, 2023

DeepJEB++: Foundation Model-Driven Large-Scale 3D Engineering Dataset via 2D Latent Space Augmentation

Data-driven engineering design is constrained by the lack of large-scale 3D datasets that pair geometry with physics-based performance labels. In particular, existing 3D data augmentation techniques have limitations in preserving subtle and diverse geometric variations, and it remains difficult to automate the subsequent simulation-labeling process, where boundary conditions vary depending on the generated geometry. We present DeepJEB++, a foundation-model-driven data-augmentation framework that expands a small seed set of jet engine brackets into a large, simulation-labeled 3D dataset under constrained resources. Our key idea is to augment in the data-rich 2D latent space, then transfer to 3D. In Stage 1, we fine-tune a pretrained 2D latent diffusion model on multi-view renders and synthesize novel views by latent interpolation, retaining manufacturable designs through a vision-language-model (VLM) quality filter. In Stage 2, the validated images are lifted to 3D meshes by a domain-adapted generative foundation model. In Stage 3, an automated pipeline recognizes the load and bolt interfaces on each mesh and assigns finite-element labels -- mass, stress, and displacement -- without manual intervention. We assess augmentation quality along three intrinsic axes: manufacturability, label fidelity against the SimJEB ground truth, and distributional consistency. Starting from fewer than 400 seed designs, DeepJEB++ yields 15,360 simulation-labeled 3D brackets -- a 40x expansion -- using a single GPU per stage. The dataset will be made publicly available to support reproducible engineering-AI research.

  • 7 authors
·
Jun 11

VOSR: A Vision-Only Generative Model for Image Super-Resolution

Most of the recent generative image super-resolution (SR) methods rely on adapting large text-to-image (T2I) diffusion models pretrained on web-scale text-image data. While effective, this paradigm starts from a generic T2I generator, despite that SR is fundamentally a low-resolution (LR) input-conditioned image restoration task. In this work, we investigate whether an SR model trained purely on visual data can rival T2I-based ones. To this end, we propose VOSR, a Vision-Only generative framework for SR. We first extract semantically rich and spatially grounded features from the LR input using a pretrained vision encoder as visual semantic guidance. We then revisit classifier-free guidance for training generative models and show that the standard unconditional branch is ill-suited to restoration models trained from scratch. We therefore replace it with a restoration-oriented guidance strategy that preserves weak LR anchors. Built upon these designs, we first train a multi-step VOSR model from scratch and then distill it into a one-step model for efficient inference. VOSR requires less than one-tenth of the training cost of representative T2I-based SR methods, yet in both multi-step and one-step settings, it achieves competitive or even better perceptual quality and efficiency, while producing more faithful structures with fewer hallucinations on both synthetic and real-world benchmarks. Our results, for the first time, show that high-quality generative SR can be achieved without multimodal pretraining. The code and models can be found at https://github.com/cswry/VOSR.

  • 7 authors
·
Apr 2

Foundation Model Empowered Synesthesia of Machines (SoM): AI-native Intelligent Multi-Modal Sensing-Communication Integration

To support future intelligent multifunctional sixth-generation (6G) wireless communication networks, Synesthesia of Machines (SoM) is proposed as a novel paradigm for artificial intelligence (AI)-native intelligent multi-modal sensing-communication integration. However, existing SoM system designs rely on task-specific AI models and face challenges such as scarcity of massive high-quality datasets, constrained modeling capability, poor generalization, and limited universality. Recently, foundation models (FMs) have emerged as a new deep learning paradigm and have been preliminarily applied to SoM-related tasks, but a systematic design framework is still lacking. In this paper, we for the first time present a systematic categorization of FMs for SoM system design, dividing them into general-purpose FMs, specifically large language models (LLMs), and SoM domain-specific FMs, referred to as wireless foundation models. Furthermore, we derive key characteristics of FMs in addressing existing challenges in SoM systems and propose two corresponding roadmaps, i.e., LLM-based and wireless foundation model-based design. For each roadmap, we provide a framework containing key design steps as a guiding pipeline and several representative case studies of FM-empowered SoM system design. Specifically, we propose LLM-based path loss generation (LLM4PG) and scatterer generation (LLM4SG) schemes, and wireless channel foundation model (WiCo) for SoM mechanism exploration, LLM-based wireless multi-task SoM transceiver (LLM4WM) and wireless foundation model (WiFo) for SoM-enhanced transceiver design, and wireless cooperative perception foundation model (WiPo) for SoM-enhanced cooperative perception, demonstrating the significant superiority of FMs over task-specific models. Finally, we summarize and highlight potential directions for future research.

  • 5 authors
·
Jun 8, 2025

Light-T2M: A Lightweight and Fast Model for Text-to-motion Generation

Despite the significant role text-to-motion (T2M) generation plays across various applications, current methods involve a large number of parameters and suffer from slow inference speeds, leading to high usage costs. To address this, we aim to design a lightweight model to reduce usage costs. First, unlike existing works that focus solely on global information modeling, we recognize the importance of local information modeling in the T2M task by reconsidering the intrinsic properties of human motion, leading us to propose a lightweight Local Information Modeling Module. Second, we introduce Mamba to the T2M task, reducing the number of parameters and GPU memory demands, and we have designed a novel Pseudo-bidirectional Scan to replicate the effects of a bidirectional scan without increasing parameter count. Moreover, we propose a novel Adaptive Textual Information Injector that more effectively integrates textual information into the motion during generation. By integrating the aforementioned designs, we propose a lightweight and fast model named Light-T2M. Compared to the state-of-the-art method, MoMask, our Light-T2M model features just 10\% of the parameters (4.48M vs 44.85M) and achieves a 16\% faster inference time (0.152s vs 0.180s), while surpassing MoMask with an FID of 0.040 (vs. 0.045) on HumanML3D dataset and 0.161 (vs. 0.228) on KIT-ML dataset. The code is available at https://github.com/qinghuannn/light-t2m.

  • 4 authors
·
Dec 14, 2024

Boosting Distributed Training Performance of the Unpadded BERT Model

Pre-training models are an important tool in Natural Language Processing (NLP), while the BERT model is a classic pre-training model whose structure has been widely adopted by followers. It was even chosen as the reference model for the MLPerf training benchmark. The distributed training performance optimization of BERT models plays an important role in accelerating the solutions of most NLP tasks. BERT model often uses padding tensors as its inputs, leading to excessive redundant computations. Thus, removing these redundant computations is essential to improve the distributed training performance. This paper designs a new approach to train BERT models with variable-length inputs efficiently. Firstly, we propose a general structure for the variable-length BERT models, and accelerate the encoder layer via our grouped multi-stream FMHA (Fused Multi-Head Attention) method. Secondly, through data exchange, we address the unbalanced workload problem caused by the variable-length inputs, which overlaps highly with the training process. Finally, we optimize the overall performance of the BERT model, such as kernel fusion, and operator optimization. Our experimental results show that our highly optimized BERT model achieves state-of-the-art throughput and ranks first in MLPerf Training v2.0 within the same GPU configuration. The optimizations in this paper can be applied to more BERT-like models in our future works.

  • 7 authors
·
Aug 17, 2022

Naju: A Native Discrete State-Space Model with Independent Retention and Writing for Long-Sequence Memory

Long-sequence memory tracking places two opposing demands on a recurrent state: near-lossless retention of stored bindings over long horizons, and active overwriting of stale ones. In our diagnostic suite, the strongest efficient baselines tend to solve only one side well. Continuous-time-parameterized state-space models (SSMs) such as Mamba obtain their discrete recurrence by zero-order-hold discretization of a continuous-time system; we argue that this detour is unnecessary for memory tracking and parameterize the discrete transition directly. Naju (Native Adaptive Junction Unit) factorizes the recurrent update, schematically x_n = f_nodot x_{n-1} + i_nodot(B_n u_n), into an explicit discrete pole (a learned forget gate f_n), an independent write gain i_n, and input-dependent write/read maps. Since the sigmoid pole satisfies 0<f_n<1, each frozen local coordinate is Schur-stable by construction, and the full time-varying recurrence satisfies a fading-memory/BIBO bound under uniform boundedness assumptions, with no stability regularizer. We formalize the key structural limitation of coupled designs: any non-expansive complementary single-gate recurrence ties the effective retention r and write gain w through |r|+wle 1, so near-complete retention forces weak writing; decoupling f_n from i_n removes this constraint. Empirically, Naju is the only evaluated model that remains strong on both retention and overwriting at 4x the training length. Beyond the diagnostic suite, we evaluate Naju on WikiText-103 language modeling, Long Range Arena, and multi-query associative recall. Across these settings, Naju consistently combines strong long-range memory with competitive or superior performance, outperforming the Mamba baselines in the principal comparisons while remaining competitive with the Transformer and preserving linear-time, linear-memory scaling.

  • 2 authors
·
Jul 22

SiFo: Wireless Foundation Model for Low-Overhead Site-Specific CSI Feedback

SiFo, a wireless foundation model-based framework, is proposed for low-overhead site-specific channel state information (CSI) feedback. In 3GPP NR, Type-II feedback provides an expressive codebook-based CSI representation, but it requires substantial reference-signal overhead, UE-side search, and feedback. Learning-based site-specific feedback can reduce these online costs while retaining high-quality subspace representation by exploiting deployment-dependent propagation structure. However, existing site-specific designs typically train a dedicated neural network for each new site, which limits scalability when the number of deployments is large. SiFo addresses this scalability issue by pretraining a CSI feedback model across source sites and adapting it to a target site through lightweight calibration. A small set of target-site users reports low-dimensional reference signal received power (RSRP) fingerprints, and their full-CSI-based subspace labels are stored as calibration memory. During online operation, a served user is matched to calibrated users through the same SSB probing and RSRP reporting procedure, so nearby calibration samples provide site-specific subspace guidance without updating model parameters. SiFo therefore transfers common propagation knowledge while retaining local adaptation. Numerical results across ten city scenarios demonstrate that SiFo (i) achieves higher CSI-capture efficiency than separately trained site-specific learning baselines under the same target-site labeled budget, (ii) approaches the high-overhead 3GPP NR Type-II feedback reference using only RSRP measurements collected during online SSB probing, and (iii) converts the high CSI-capture efficiency and low overhead into effective spectral efficiency improvement under limited target-site data.

  • 4 authors
·
May 14

OpenECAD: An Efficient Visual Language Model for Editable 3D-CAD Design

Computer-aided design (CAD) tools are utilized in the manufacturing industry for modeling everything from cups to spacecraft. These programs are complex to use and typically require years of training and experience to master. Structured and well-constrained 2D sketches and 3D constructions are crucial components of CAD modeling. A well-executed CAD model can be seamlessly integrated into the manufacturing process, thereby enhancing production efficiency. Deep generative models of 3D shapes and 3D object reconstruction models have garnered significant research interest. However, most of these models produce discrete forms of 3D objects that are not editable. Moreover, the few models based on CAD operations often have substantial input restrictions. In this work, we fine-tuned pre-trained models to create OpenECAD models (0.55B, 0.89B, 2.4B and 3.1B), leveraging the visual, logical, coding, and general capabilities of visual language models. OpenECAD models can process images of 3D designs as input and generate highly structured 2D sketches and 3D construction commands, ensuring that the designs are editable. These outputs can be directly used with existing CAD tools' APIs to generate project files. To train our network, we created a series of OpenECAD datasets. These datasets are derived from existing public CAD datasets, adjusted and augmented to meet the specific requirements of vision language model (VLM) training. Additionally, we have introduced an approach that utilizes dependency relationships to define and generate sketches, further enriching the content and functionality of the datasets.

  • 3 authors
·
Jun 14, 2024

Vitruvion: A Generative Model of Parametric CAD Sketches

Parametric computer-aided design (CAD) tools are the predominant way that engineers specify physical structures, from bicycle pedals to airplanes to printed circuit boards. The key characteristic of parametric CAD is that design intent is encoded not only via geometric primitives, but also by parameterized constraints between the elements. This relational specification can be viewed as the construction of a constraint program, allowing edits to coherently propagate to other parts of the design. Machine learning offers the intriguing possibility of accelerating the design process via generative modeling of these structures, enabling new tools such as autocompletion, constraint inference, and conditional synthesis. In this work, we present such an approach to generative modeling of parametric CAD sketches, which constitute the basic computational building blocks of modern mechanical design. Our model, trained on real-world designs from the SketchGraphs dataset, autoregressively synthesizes sketches as sequences of primitives, with initial coordinates, and constraints that reference back to the sampled primitives. As samples from the model match the constraint graph representation used in standard CAD software, they may be directly imported, solved, and edited according to downstream design tasks. In addition, we condition the model on various contexts, including partial sketches (primers) and images of hand-drawn sketches. Evaluation of the proposed approach demonstrates its ability to synthesize realistic CAD sketches and its potential to aid the mechanical design workflow.

  • 4 authors
·
Sep 28, 2021

XiHe: A Data-Driven Model for Global Ocean Eddy-Resolving Forecasting

The leading operational Global Ocean Forecasting Systems (GOFSs) use physics-driven numerical forecasting models that solve the partial differential equations with expensive computation. Recently, specifically in atmosphere weather forecasting, data-driven models have demonstrated significant potential for speeding up environmental forecasting by orders of magnitude, but there is still no data-driven GOFS that matches the forecasting accuracy of the numerical GOFSs. In this paper, we propose the first data-driven 1/12° resolution global ocean eddy-resolving forecasting model named XiHe, which is established from the 25-year France Mercator Ocean International's daily GLORYS12 reanalysis data. XiHe is a hierarchical transformer-based framework coupled with two special designs. One is the land-ocean mask mechanism for focusing exclusively on the global ocean circulation. The other is the ocean-specific block for effectively capturing both local ocean information and global teleconnection. Extensive experiments are conducted under satellite observations, in situ observations, and the IV-TT Class 4 evaluation framework of the world's leading operational GOFSs from January 2019 to December 2020. The results demonstrate that XiHe achieves stronger forecast performance in all testing variables than existing leading operational numerical GOFSs including Mercator Ocean Physical SYstem (PSY4), Global Ice Ocean Prediction System (GIOPS), BLUElinK OceanMAPS (BLK), and Forecast Ocean Assimilation Model (FOAM). Particularly, the accuracy of ocean current forecasting of XiHe out to 60 days is even better than that of PSY4 in just 10 days. Additionally, XiHe is able to forecast the large-scale circulation and the mesoscale eddies. Furthermore, it can make a 10-day forecast in only 0.35 seconds, which accelerates the forecast speed by thousands of times compared to the traditional numerical GOFSs.

  • 19 authors
·
Oct 21, 2024

GenieDrive: Towards Physics-Aware Driving World Model with 4D Occupancy Guided Video Generation

Physics-aware driving world model is essential for drive planning, out-of-distribution data synthesis, and closed-loop evaluation. However, existing methods often rely on a single diffusion model to directly map driving actions to videos, which makes learning difficult and leads to physically inconsistent outputs. To overcome these challenges, we propose GenieDrive, a novel framework designed for physics-aware driving video generation. Our approach starts by generating 4D occupancy, which serves as a physics-informed foundation for subsequent video generation. 4D occupancy contains rich physical information, including high-resolution 3D structures and dynamics. To facilitate effective compression of such high-resolution occupancy, we propose a VAE that encodes occupancy into a latent tri-plane representation, reducing the latent size to only 58% of that used in previous methods. We further introduce Mutual Control Attention (MCA) to accurately model the influence of control on occupancy evolution, and we jointly train the VAE and the subsequent prediction module in an end-to-end manner to maximize forecasting accuracy. Together, these designs yield a 7.2% improvement in forecasting mIoU at an inference speed of 41 FPS, while using only 3.47 M parameters. Additionally, a Normalized Multi-View Attention is introduced in the video generation model to generate multi-view driving videos with guidance from our 4D occupancy, significantly improving video quality with a 20.7% reduction in FVD. Experiments demonstrate that GenieDrive enables highly controllable, multi-view consistent, and physics-aware driving video generation.

  • 9 authors
·
Dec 14, 2025 2

Meta-Learning an In-Context Transformer Model of Human Higher Visual Cortex

Understanding functional representations within higher visual cortex is a fundamental question in computational neuroscience. While artificial neural networks pretrained on large-scale datasets exhibit striking representational alignment with human neural responses, learning image-computable models of visual cortex relies on individual-level, large-scale fMRI datasets. The necessity for expensive, time-intensive, and often impractical data acquisition limits the generalizability of encoders to new subjects and stimuli. BraInCoRL uses in-context learning to predict voxelwise neural responses from few-shot examples without any additional finetuning for novel subjects and stimuli. We leverage a transformer architecture that can flexibly condition on a variable number of in-context image stimuli, learning an inductive bias over multiple subjects. During training, we explicitly optimize the model for in-context learning. By jointly conditioning on image features and voxel activations, our model learns to directly generate better performing voxelwise models of higher visual cortex. We demonstrate that BraInCoRL consistently outperforms existing voxelwise encoder designs in a low-data regime when evaluated on entirely novel images, while also exhibiting strong test-time scaling behavior. The model also generalizes to an entirely new visual fMRI dataset, which uses different subjects and fMRI data acquisition parameters. Further, BraInCoRL facilitates better interpretability of neural signals in higher visual cortex by attending to semantically relevant stimuli. Finally, we show that our framework enables interpretable mappings from natural language queries to voxel selectivity.

  • 9 authors
·
May 21, 2025 2

DiskGNN: Bridging I/O Efficiency and Model Accuracy for Out-of-Core GNN Training

Graph neural networks (GNNs) are machine learning models specialized for graph data and widely used in many applications. To train GNNs on large graphs that exceed CPU memory, several systems store data on disk and conduct out-of-core processing. However, these systems suffer from either read amplification when reading node features that are usually smaller than a disk page or degraded model accuracy by treating the graph as disconnected partitions. To close this gap, we build a system called DiskGNN, which achieves high I/O efficiency and thus fast training without hurting model accuracy. The key technique used by DiskGNN is offline sampling, which helps decouple graph sampling from model computation. In particular, by conducting graph sampling beforehand, DiskGNN acquires the node features that will be accessed by model computation, and such information is utilized to pack the target node features contiguously on disk to avoid read amplification. Besides, also adopts designs including four-level feature store to fully utilize the memory hierarchy to cache node features and reduce disk access, batched packing to accelerate the feature packing process, and pipelined training to overlap disk access with other operations. We compare DiskGNN with Ginex and MariusGNN, which are state-of-the-art systems for out-of-core GNN training. The results show that DiskGNN can speed up the baselines by over 8x while matching their best model accuracy.

  • 8 authors
·
May 8, 2024

Customizing a Large Language Model for VHDL Design of High-Performance Microprocessors

The use of Large Language Models (LLMs) in hardware design has taken off in recent years, principally through its incorporation in tools that increase chip designer productivity. There has been considerable discussion about the use of LLMs in RTL specifications of chip designs, for which the two most popular languages are Verilog and VHDL. LLMs and their use in Verilog design has received significant attention due to the higher popularity of the language, but little attention so far has been given to VHDL despite its continued popularity in the industry. There has also been little discussion about the unique needs of organizations that engage in high-performance processor design, and techniques to deploy AI solutions in these settings. In this paper, we describe our journey in developing a Large Language Model (LLM) specifically for the purpose of explaining VHDL code, a task that has particular importance in an organization with decades of experience and assets in high-performance processor design. We show how we developed test sets specific to our needs and used them for evaluating models as we performed extended pretraining (EPT) of a base LLM. Expert evaluation of the code explanations produced by the EPT model increased to 69% compared to a base model rating of 43%. We further show how we developed an LLM-as-a-judge to gauge models similar to expert evaluators. This led us to deriving and evaluating a host of new models, including an instruction-tuned version of the EPT model with an expected expert evaluator rating of 71%. Our experiments also indicate that with the potential use of newer base models, this rating can be pushed to 85% and beyond. We conclude with a discussion on further improving the quality of hardware design LLMs using exciting new developments in the Generative AI world.

  • 10 authors
·
May 14, 2025

BigMac: A Communication-Efficient Mixture-of-Experts Model Structure for Fast Training and Inference

The Mixture-of-Experts (MoE) structure scales the Transformer-based large language models (LLMs) and improves their performance with only the sub-linear increase in computation resources. Recently, a fine-grained DeepSeekMoE structure is proposed, which can further improve the computing efficiency of MoE without performance degradation. However, the All-to-All communication introduced by MoE has become a bottleneck, especially for the fine-grained structure, which typically involves and activates more experts, hence contributing to heavier communication overhead. In this paper, we propose a novel MoE structure named BigMac, which is also fine-grained but with high communication efficiency. The innovation of BigMac is mainly due to that we abandon the communicate-descend-ascend-communicate (CDAC) manner used by fine-grained MoE, which leads to the All-to-All communication always taking place at the highest dimension. Instead, BigMac designs an efficient descend-communicate-communicate-ascend (DCCA) manner. Specifically, we add a descending and ascending projection at the entrance and exit of the expert, respectively, which enables the communication to perform at a very low dimension. Furthermore, to adapt to DCCA, we re-design the structure of small experts, ensuring that the expert in BigMac has enough complexity to address tokens. Experimental results show that BigMac achieves comparable or even better model quality than fine-grained MoEs with the same number of experts and a similar number of total parameters. Equally importantly, BigMac reduces the end-to-end latency by up to 3.09times for training and increases the throughput by up to 3.11times for inference on state-of-the-art AI computing frameworks including Megatron, Tutel, and DeepSpeed-Inference.

  • 8 authors
·
Feb 24, 2025

Bidirectional Learning for Offline Model-based Biological Sequence Design

Offline model-based optimization aims to maximize a black-box objective function with a static dataset of designs and their scores. In this paper, we focus on biological sequence design to maximize some sequence score. A recent approach employs bidirectional learning, combining a forward mapping for exploitation and a backward mapping for constraint, and it relies on the neural tangent kernel (NTK) of an infinitely wide network to build a proxy model. Though effective, the NTK cannot learn features because of its parametrization, and its use prevents the incorporation of powerful pre-trained Language Models (LMs) that can capture the rich biophysical information in millions of biological sequences. We adopt an alternative proxy model, adding a linear head to a pre-trained LM, and propose a linearization scheme. This yields a closed-form loss and also takes into account the biophysical information in the pre-trained LM. In addition, the forward mapping and the backward mapping play different roles and thus deserve different weights during sequence optimization. To achieve this, we train an auxiliary model and leverage its weak supervision signal via a bi-level optimization framework to effectively learn how to balance the two mappings. Further, by extending the framework, we develop the first learning rate adaptation module Adaptive-eta, which is compatible with all gradient-based algorithms for offline model-based optimization. Experimental results on DNA/protein sequence design tasks verify the effectiveness of our algorithm. Our code is available~https://anonymous.4open.science/r/BIB-ICLR2023-Submission/README.md{here.}

  • 4 authors
·
Jan 7, 2023

HERMES++: Toward a Unified Driving World Model for 3D Scene Understanding and Generation

Driving world models serve as a pivotal technology for autonomous driving by simulating environmental dynamics. However, existing approaches predominantly focus on future scene generation, often overlooking comprehensive 3D scene understanding. Conversely, while Large Language Models (LLMs) demonstrate impressive reasoning capabilities, they lack the capacity to predict future geometric evolution, creating a significant disparity between semantic interpretation and physical simulation. To bridge this gap, we propose HERMES++, a unified driving world model that integrates 3D scene understanding and future geometry prediction within a single framework. Our approach addresses the distinct requirements of these tasks through synergistic designs. First, a BEV representation consolidates multi-view spatial information into a structure compatible with LLMs. Second, we introduce LLM-enhanced world queries to facilitate knowledge transfer from the understanding branch. Third, a Current-to-Future Link is designed to bridge the temporal gap, conditioning geometric evolution on semantic context. Finally, to enforce structural integrity, we employ a Joint Geometric Optimization strategy that integrates explicit geometric constraints with implicit latent regularization to align internal representations with geometry-aware priors. Extensive evaluations on multiple benchmarks validate the effectiveness of our method. HERMES++ achieves strong performance, outperforming specialist approaches in both future point cloud prediction and 3D scene understanding tasks. The model and code will be publicly released at https://github.com/H-EmbodVis/HERMESV2.

H-EmbodVis H-EmbodVis
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Apr 29 2

Vision Mamba: Efficient Visual Representation Learning with Bidirectional State Space Model

Recently the state space models (SSMs) with efficient hardware-aware designs, i.e., Mamba, have shown great potential for long sequence modeling. Building efficient and generic vision backbones purely upon SSMs is an appealing direction. However, representing visual data is challenging for SSMs due to the position-sensitivity of visual data and the requirement of global context for visual understanding. In this paper, we show that the reliance of visual representation learning on self-attention is not necessary and propose a new generic vision backbone with bidirectional Mamba blocks (Vim), which marks the image sequences with position embeddings and compresses the visual representation with bidirectional state space models. On ImageNet classification, COCO object detection, and ADE20k semantic segmentation tasks, Vim achieves higher performance compared to well-established vision transformers like DeiT, while also demonstrating significantly improved computation & memory efficiency. For example, Vim is 2.8times faster than DeiT and saves 86.8% GPU memory when performing batch inference to extract features on images with a resolution of 1248times1248. The results demonstrate that Vim is capable of overcoming the computation & memory constraints on performing Transformer-style understanding for high-resolution images and it has great potential to become the next-generation backbone for vision foundation models. Code is available at https://github.com/hustvl/Vim.

  • 6 authors
·
Jan 17, 2024 3

FiTv2: Scalable and Improved Flexible Vision Transformer for Diffusion Model

Nature is infinitely resolution-free. In the context of this reality, existing diffusion models, such as Diffusion Transformers, often face challenges when processing image resolutions outside of their trained domain. To address this limitation, we conceptualize images as sequences of tokens with dynamic sizes, rather than traditional methods that perceive images as fixed-resolution grids. This perspective enables a flexible training strategy that seamlessly accommodates various aspect ratios during both training and inference, thus promoting resolution generalization and eliminating biases introduced by image cropping. On this basis, we present the Flexible Vision Transformer (FiT), a transformer architecture specifically designed for generating images with unrestricted resolutions and aspect ratios. We further upgrade the FiT to FiTv2 with several innovative designs, includingthe Query-Key vector normalization, the AdaLN-LoRA module, a rectified flow scheduler, and a Logit-Normal sampler. Enhanced by a meticulously adjusted network structure, FiTv2 exhibits 2times convergence speed of FiT. When incorporating advanced training-free extrapolation techniques, FiTv2 demonstrates remarkable adaptability in both resolution extrapolation and diverse resolution generation. Additionally, our exploration of the scalability of the FiTv2 model reveals that larger models exhibit better computational efficiency. Furthermore, we introduce an efficient post-training strategy to adapt a pre-trained model for the high-resolution generation. Comprehensive experiments demonstrate the exceptional performance of FiTv2 across a broad range of resolutions. We have released all the codes and models at https://github.com/whlzy/FiT to promote the exploration of diffusion transformer models for arbitrary-resolution image generation.

  • 6 authors
·
Oct 17, 2024 3

Stereo World Model: Camera-Guided Stereo Video Generation

We present StereoWorld, a camera-conditioned stereo world model that jointly learns appearance and binocular geometry for end-to-end stereo video generation.Unlike monocular RGB or RGBD approaches, StereoWorld operates exclusively within the RGB modality, while simultaneously grounding geometry directly from disparity. To efficiently achieve consistent stereo generation, our approach introduces two key designs: (1) a unified camera-frame RoPE that augments latent tokens with camera-aware rotary positional encoding, enabling relative, view- and time-consistent conditioning while preserving pretrained video priors via a stable attention initialization; and (2) a stereo-aware attention decomposition that factors full 4D attention into 3D intra-view attention plus horizontal row attention, leveraging the epipolar prior to capture disparity-aligned correspondences with substantially lower compute. Across benchmarks, StereoWorld improves stereo consistency, disparity accuracy, and camera-motion fidelity over strong monocular-then-convert pipelines, achieving more than 3x faster generation with an additional 5% gain in viewpoint consistency. Beyond benchmarks, StereoWorld enables end-to-end binocular VR rendering without depth estimation or inpainting, enhances embodied policy learning through metric-scale depth grounding, and is compatible with long-video distillation for extended interactive stereo synthesis.

  • 7 authors
·
Mar 18 2

One Model for All Tasks: Leveraging Efficient World Models in Multi-Task Planning

In heterogeneous multi-task decision-making, tasks not only exhibit diverse observation and action spaces but also vary substantially in their underlying complexities. While conventional multi-task world models like UniZero excel in single-task settings, we find that when handling a broad and diverse suite of tasks, gradient conflicts and the loss of model plasticity often constrain their sample efficiency. In this work, we address these challenges from two complementary perspectives: the single learning iteration and the overall learning process. First, to mitigate the gradient conflicts, we systematically investigate key architectural designs for extending UniZero. Our investigation identifies a Mixture-of-Experts (MoE) architecture as the most effective approach. We demonstrate, both theoretically and empirically, that this architecture alleviates gradient conflicts by routing task-specific representations to specialized sub-networks. This finding leads to our proposed model, ScaleZero. Second, to dynamically allocate model capacity throughout the learning process, we introduce an online Dynamic Parameter Scaling (DPS) strategy. This strategy progressively integrates LoRA adapters in response to task-specific progress, enabling adaptive knowledge retention and parameter expansion. Evaluations on a diverse set of standard benchmarks (Atari, DMC, Jericho) demonstrate that ScaleZero, utilizing solely online reinforcement learning with one model, performs on par with specialized single-task agents. With the DPS strategy, it remains competitive while using just 71.5% of the environment interactions. These findings underscore the potential of ScaleZero for effective multi-task planning. Our code is available at magenta{https://github.com/opendilab/LightZero}.

  • 6 authors
·
Sep 9, 2025

PoET: A generative model of protein families as sequences-of-sequences

Generative protein language models are a natural way to design new proteins with desired functions. However, current models are either difficult to direct to produce a protein from a specific family of interest, or must be trained on a large multiple sequence alignment (MSA) from the specific family of interest, making them unable to benefit from transfer learning across families. To address this, we propose Protein Evolutionary Transformer (PoET), an autoregressive generative model of whole protein families that learns to generate sets of related proteins as sequences-of-sequences across tens of millions of natural protein sequence clusters. PoET can be used as a retrieval-augmented language model to generate and score arbitrary modifications conditioned on any protein family of interest, and can extrapolate from short context lengths to generalize well even for small families. This is enabled by a unique Transformer layer; we model tokens sequentially within sequences while attending between sequences order invariantly, allowing PoET to scale to context lengths beyond those used during training. In extensive experiments on deep mutational scanning datasets, we show that PoET outperforms existing protein language models and evolutionary sequence models for variant function prediction across proteins of all MSA depths. We also demonstrate PoET's ability to controllably generate new protein sequences.

  • 2 authors
·
Jun 9, 2023

Counterfactuals for Design: A Model-Agnostic Method For Design Recommendations

We introduce Multi-Objective Counterfactuals for Design (MCD), a novel method for counterfactual optimization in design problems. Counterfactuals are hypothetical situations that can lead to a different decision or choice. In this paper, the authors frame the counterfactual search problem as a design recommendation tool that can help identify modifications to a design, leading to better functional performance. MCD improves upon existing counterfactual search methods by supporting multi-objective queries, which are crucial in design problems, and by decoupling the counterfactual search and sampling processes, thus enhancing efficiency and facilitating objective tradeoff visualization. The paper demonstrates MCD's core functionality using a two-dimensional test case, followed by three case studies of bicycle design that showcase MCD's effectiveness in real-world design problems. In the first case study, MCD excels at recommending modifications to query designs that can significantly enhance functional performance, such as weight savings and improvements to the structural safety factor. The second case study demonstrates that MCD can work with a pre-trained language model to suggest design changes based on a subjective text prompt effectively. Lastly, the authors task MCD with increasing a query design's similarity to a target image and text prompt while simultaneously reducing weight and improving structural performance, demonstrating MCD's performance on a complex multimodal query. Overall, MCD has the potential to provide valuable recommendations for practitioners and design automation researchers looking for answers to their ``What if'' questions by exploring hypothetical design modifications and their impact on multiple design objectives. The code, test problems, and datasets used in the paper are available to the public at decode.mit.edu/projects/counterfactuals/.

  • 3 authors
·
May 18, 2023

DuplexSLA: A Full-Duplex Spoken Language Model with Synchronized Speech, Language, and Action

Recent advances in spoken dialogue language models have shifted from turn-based to full-duplex designs, where the model continuously listens to the user while generating responses. However, existing duplex backbones still lack a native channel for in-conversation planning and tool calling, leaving real-time agentic behaviour either tied to turn boundaries or relegated to an external cascade. We propose DuplexSLA, a native full-duplex Speech-Language-Action foundation model that decodes assistant audio together with a structured action stream on a shared 160 ms chunk timeline. DuplexSLA is built on a dual-stream three-channel formulation: a continuous user audio channel, a discrete assistant audio channel, and a rate-limited textual action channel, all decoded jointly by a single backbone, so that listening, speaking, planning, and tool calling unfold on one shared clock. Two capabilities define the model: (1) semantic-driven turn-taking control, where interruption, pause, and backchannel are handled inside the same backbone instead of by an external semantic VAD; and (2) in-conversation planning and tool calling, where planning text and structured tool calls are emitted on the action channel without halting assistant audio, so that multi-action and backchannel-triggered tool use are interleaved with ongoing speech. To evaluate these capabilities together, we further construct DuplexSLA-Bench, a duplex benchmark covering pause, interrupt, and backchannel turn-taking together with three styles of in-conversation tool calling. Our project page, interactive demos, and the DuplexSLA-Bench evaluation suite are publicly available at https://github.com/hyzhang24/DuplexSLA.

  • 16 authors
·
Jun 10

Spatio-Temporal Data Enhanced Vision-Language Model for Traffic Scene Understanding

Nowadays, navigation and ride-sharing apps have collected numerous images with spatio-temporal data. A core technology for analyzing such images, associated with spatiotemporal information, is Traffic Scene Understanding (TSU), which aims to provide a comprehensive description of the traffic scene. Unlike traditional spatio-temporal data analysis tasks, the dependence on both spatio-temporal and visual-textual data introduces distinct challenges to TSU task. However, recent research often treats TSU as a common image understanding task, ignoring the spatio-temporal information and overlooking the interrelations between different aspects of the traffic scene. To address these issues, we propose a novel SpatioTemporal Enhanced Model based on CILP (ST-CLIP) for TSU. Our model uses the classic vision-language model, CLIP, as the backbone, and designs a Spatio-temporal Context Aware Multiaspect Prompt (SCAMP) learning method to incorporate spatiotemporal information into TSU. The prompt learning method consists of two components: A dynamic spatio-temporal context representation module that extracts representation vectors of spatio-temporal data for each traffic scene image, and a bi-level ST-aware multi-aspect prompt learning module that integrates the ST-context representation vectors into word embeddings of prompts for the CLIP model. The second module also extracts low-level visual features and image-wise high-level semantic features to exploit interactive relations among different aspects of traffic scenes. To the best of our knowledge, this is the first attempt to integrate spatio-temporal information into visionlanguage models to facilitate TSU task. Experiments on two realworld datasets demonstrate superior performance in the complex scene understanding scenarios with a few-shot learning strategy.

  • 5 authors
·
Nov 11, 2025

Dragonfly: Multi-Resolution Zoom Supercharges Large Visual-Language Model

Recent advances in large multimodal models (LMMs) suggest that higher image resolution enhances the fine-grained understanding of image details, crucial for tasks such as visual commonsense reasoning and analyzing biomedical images. However, increasing input resolution poses two main challenges: 1) It extends the context length required by the language model, leading to inefficiencies and hitting the model's context limit; 2) It increases the complexity of visual features, necessitating more training data or more complex architecture. We introduce Dragonfly, a new LMM architecture that enhances fine-grained visual understanding and reasoning about image regions to address these challenges. Dragonfly employs two key strategies: multi-resolution visual encoding and zoom-in patch selection. These strategies allow the model to process high-resolution images efficiently while maintaining reasonable context length. Our experiments on eight popular benchmarks demonstrate that Dragonfly achieves competitive or better performance compared to other architectures, highlighting the effectiveness of our design. Additionally, we finetuned Dragonfly on biomedical instructions, achieving state-of-the-art results on multiple biomedical tasks requiring fine-grained visual understanding, including 92.3% accuracy on the Path-VQA dataset (compared to 83.3% for Med-Gemini) and the highest reported results on biomedical image captioning. To support model training, we curated a visual instruction-tuning dataset with 5.5 million image-instruction samples in the general domain and 1.4 million samples in the biomedical domain. We also conducted ablation studies to characterize the impact of various architectural designs and image resolutions, providing insights for future research on visual instruction alignment. The codebase and model are available at https://github.com/togethercomputer/Dragonfly.

  • 6 authors
·
Jun 3, 2024

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

GradSign: Model Performance Inference with Theoretical Insights

A key challenge in neural architecture search (NAS) is quickly inferring the predictive performance of a broad spectrum of networks to discover statistically accurate and computationally efficient ones. We refer to this task as model performance inference (MPI). The current practice for efficient MPI is gradient-based methods that leverage the gradients of a network at initialization to infer its performance. However, existing gradient-based methods rely only on heuristic metrics and lack the necessary theoretical foundations to consolidate their designs. We propose GradSign, an accurate, simple, and flexible metric for model performance inference with theoretical insights. The key idea behind GradSign is a quantity {\Psi} to analyze the optimization landscape of different networks at the granularity of individual training samples. Theoretically, we show that both the network's training and true population losses are proportionally upper-bounded by {\Psi} under reasonable assumptions. In addition, we design GradSign, an accurate and simple approximation of {\Psi} using the gradients of a network evaluated at a random initialization state. Evaluation on seven NAS benchmarks across three training datasets shows that GradSign generalizes well to real-world networks and consistently outperforms state-of-the-art gradient-based methods for MPI evaluated by Spearman's {\rho} and Kendall's Tau. Additionally, we integrate GradSign into four existing NAS algorithms and show that the GradSign-assisted NAS algorithms outperform their vanilla counterparts by improving the accuracies of best-discovered networks by up to 0.3%, 1.1%, and 1.0% on three real-world tasks.

  • 2 authors
·
Oct 16, 2021

CLAY: A Controllable Large-scale Generative Model for Creating High-quality 3D Assets

In the realm of digital creativity, our potential to craft intricate 3D worlds from imagination is often hampered by the limitations of existing digital tools, which demand extensive expertise and efforts. To narrow this disparity, we introduce CLAY, a 3D geometry and material generator designed to effortlessly transform human imagination into intricate 3D digital structures. CLAY supports classic text or image inputs as well as 3D-aware controls from diverse primitives (multi-view images, voxels, bounding boxes, point clouds, implicit representations, etc). At its core is a large-scale generative model composed of a multi-resolution Variational Autoencoder (VAE) and a minimalistic latent Diffusion Transformer (DiT), to extract rich 3D priors directly from a diverse range of 3D geometries. Specifically, it adopts neural fields to represent continuous and complete surfaces and uses a geometry generative module with pure transformer blocks in latent space. We present a progressive training scheme to train CLAY on an ultra large 3D model dataset obtained through a carefully designed processing pipeline, resulting in a 3D native geometry generator with 1.5 billion parameters. For appearance generation, CLAY sets out to produce physically-based rendering (PBR) textures by employing a multi-view material diffusion model that can generate 2K resolution textures with diffuse, roughness, and metallic modalities. We demonstrate using CLAY for a range of controllable 3D asset creations, from sketchy conceptual designs to production ready assets with intricate details. Even first time users can easily use CLAY to bring their vivid 3D imaginations to life, unleashing unlimited creativity.

  • 9 authors
·
May 30, 2024 2