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 Zhu, Ruijie


A Comprehensive Survey on Long Context Language Modeling

arXiv.org Artificial Intelligence

Efficient processing of long contexts has been a persistent pursuit in Natural Language Processing. With the growing number of long documents, dialogues, and other textual data, it is important to develop Long Context Language Models (LCLMs) that can process and analyze extensive inputs in an effective and efficient way. In this paper, we present a comprehensive survey on recent advances in long-context modeling for large language models. Our survey is structured around three key aspects: how to obtain effective and efficient LCLMs, how to train and deploy LCLMs efficiently, and how to evaluate and analyze LCLMs comprehensively. For the first aspect, we discuss data strategies, architectural designs, and workflow approaches oriented with long context processing. For the second aspect, we provide a detailed examination of the infrastructure required for LCLM training and inference. For the third aspect, we present evaluation paradigms for long-context comprehension and long-form generation, as well as behavioral analysis and mechanism interpretability of LCLMs. Beyond these three key aspects, we thoroughly explore the diverse application scenarios where existing LCLMs have been deployed and outline promising future development directions. This survey provides an up-to-date review of the literature on long-context LLMs, which we wish to serve as a valuable resource for both researchers and engineers. An associated GitHub repository collecting the latest papers and repos is available at: \href{https://github.com/LCLM-Horizon/A-Comprehensive-Survey-For-Long-Context-Language-Modeling}{\color[RGB]{175,36,67}{LCLM-Horizon}}.


Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

arXiv.org Artificial Intelligence

Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions. The submissions spanned seven key application areas and demonstrated the diverse utility of LLMs for applications in (1) molecular and material property prediction; (2) molecular and material design; (3) automation and novel interfaces; (4) scientific communication and education; (5) research data management and automation; (6) hypothesis generation and evaluation; and (7) knowledge extraction and reasoning from scientific literature. Each team submission is presented in a summary table with links to the code and as brief papers in the appendix. Beyond team results, we discuss the hackathon event and its hybrid format, which included physical hubs in Toronto, Montreal, San Francisco, Berlin, Lausanne, and Tokyo, alongside a global online hub to enable local and virtual collaboration. Overall, the event highlighted significant improvements in LLM capabilities since the previous year's hackathon, suggesting continued expansion of LLMs for applications in materials science and chemistry research. These outcomes demonstrate the dual utility of LLMs as both multipurpose models for diverse machine learning tasks and platforms for rapid prototyping custom applications in scientific research.


MetaLA: Unified Optimal Linear Approximation to Softmax Attention Map

arXiv.org Artificial Intelligence

Various linear complexity models, such as Linear Transformer (LinFormer), State Space Model (SSM), and Linear RNN (LinRNN), have been proposed to replace the conventional softmax attention in Transformer structures. However, the optimal design of these linear models is still an open question. In this work, we attempt to answer this question by finding the best linear approximation to softmax attention from a theoretical perspective. We start by unifying existing linear complexity models as the linear attention form and then identify three conditions for the optimal linear attention design: i) Dynamic memory ability; ii) Static approximation ability; iii) Least parameter approximation. We find that none of the current linear models meet all three conditions, resulting in suboptimal performance. Instead, we propose Meta Linear Attention (MetaLA) as a solution that satisfies these conditions. Our experiments on Multi-Query Associative Recall (MQAR) task, language modeling, image classification, and Long-Range Arena (LRA) benchmark demonstrate that MetaLA is more effective than the existing linear models.


MotionGS: Exploring Explicit Motion Guidance for Deformable 3D Gaussian Splatting

arXiv.org Artificial Intelligence

Dynamic scene reconstruction is a long-term challenge in the field of 3D vision. Recently, the emergence of 3D Gaussian Splatting has provided new insights into this problem. Although subsequent efforts rapidly extend static 3D Gaussian to dynamic scenes, they often lack explicit constraints on object motion, leading to optimization difficulties and performance degradation. To address the above issues, we propose a novel deformable 3D Gaussian splatting framework called MotionGS, which explores explicit motion priors to guide the deformation of 3D Gaussians. Specifically, we first introduce an optical flow decoupling module that decouples optical flow into camera flow and motion flow, corresponding to camera movement and object motion respectively. Then the motion flow can effectively constrain the deformation of 3D Gaussians, thus simulating the motion of dynamic objects. Additionally, a camera pose refinement module is proposed to alternately optimize 3D Gaussians and camera poses, mitigating the impact of inaccurate camera poses. Extensive experiments in the monocular dynamic scenes validate that MotionGS surpasses state-of-the-art methods and exhibits significant superiority in both qualitative and quantitative results.


ChronoMagic-Bench: A Benchmark for Metamorphic Evaluation of Text-to-Time-lapse Video Generation

arXiv.org Artificial Intelligence

We propose a novel text-to-video (T2V) generation benchmark, ChronoMagic-Bench, to evaluate the temporal and metamorphic capabilities of the T2V models (e.g. Sora and Lumiere) in time-lapse video generation. In contrast to existing benchmarks that focus on the visual quality and textual relevance of generated videos, ChronoMagic-Bench focuses on the model's ability to generate time-lapse videos with significant metamorphic amplitude and temporal coherence. The benchmark probes T2V models for their physics, biology, and chemistry capabilities, in a free-form text query. For these purposes, ChronoMagic-Bench introduces 1,649 prompts and real-world videos as references, categorized into four major types of time-lapse videos: biological, human-created, meteorological, and physical phenomena, which are further divided into 75 subcategories. This categorization comprehensively evaluates the model's capacity to handle diverse and complex transformations. To accurately align human preference with the benchmark, we introduce two new automatic metrics, MTScore and CHScore, to evaluate the videos' metamorphic attributes and temporal coherence. MTScore measures the metamorphic amplitude, reflecting the degree of change over time, while CHScore assesses the temporal coherence, ensuring the generated videos maintain logical progression and continuity. Based on the ChronoMagic-Bench, we conduct comprehensive manual evaluations of ten representative T2V models, revealing their strengths and weaknesses across different categories of prompts, and providing a thorough evaluation framework that addresses current gaps in video generation research. Moreover, we create a large-scale ChronoMagic-Pro dataset, containing 460k high-quality pairs of 720p time-lapse videos and detailed captions ensuring high physical pertinence and large metamorphic amplitude.


Tensor Decomposition Based Attention Module for Spiking Neural Networks

arXiv.org Artificial Intelligence

The attention mechanism has been proven to be an effective way to improve spiking neural network (SNN). However, based on the fact that the current SNN input data flow is split into tensors to process on GPUs, none of the previous works consider the properties of tensors to implement an attention module. This inspires us to rethink current SNN from the perspective of tensor-relevant theories. Using tensor decomposition, we design the \textit{projected full attention} (PFA) module, which demonstrates excellent results with linearly growing parameters. Specifically, PFA is composed by the \textit{linear projection of spike tensor} (LPST) module and \textit{attention map composing} (AMC) module. In LPST, we start by compressing the original spike tensor into three projected tensors using a single property-preserving strategy with learnable parameters for each dimension. Then, in AMC, we exploit the inverse procedure of the tensor decomposition process to combine the three tensors into the attention map using a so-called connecting factor. To validate the effectiveness of the proposed PFA module, we integrate it into the widely used VGG and ResNet architectures for classification tasks. Our method achieves state-of-the-art performance on both static and dynamic benchmark datasets, surpassing the existing SNN models with Transformer-based and CNN-based backbones.


End-to-end AI framework for interpretable prediction of molecular and crystal properties

arXiv.org Artificial Intelligence

We introduce an end-to-end computational framework that allows for hyperparameter optimization using the DeepHyper library, accelerated model training, and interpretable AI inference. The framework is based on state-of-the-art AI models including CGCNN, PhysNet, SchNet, MPNN, MPNN-transformer, and TorchMD-NET. We employ these AI models along with the benchmark QM9, hMOF, and MD17 datasets to showcase how the models can predict user-specified material properties within modern computing environments. We demonstrate transferable applications in the modeling of small molecules, inorganic crystals and nanoporous metal organic frameworks with a unified, standalone framework. We have deployed and tested this framework in the ThetaGPU supercomputer at the Argonne Leadership Computing Facility, and in the Delta supercomputer at the National Center for Supercomputing Applications to provide researchers with modern tools to conduct accelerated AI-driven discovery in leadership-class computing environments. We release these digital assets as open source scientific software in GitLab, and ready-to-use Jupyter notebooks in Google Colab.


The RoboDepth Challenge: Methods and Advancements Towards Robust Depth Estimation

arXiv.org Artificial Intelligence

Accurate depth estimation under out-of-distribution (OoD) scenarios, such as adverse weather conditions, sensor failure, and noise contamination, is desirable for safety-critical applications. Existing depth estimation systems, however, suffer inevitably from real-world corruptions and perturbations and are struggled to provide reliable depth predictions under such cases. In this paper, we summarize the winning solutions from the RoboDepth Challenge -- an academic competition designed to facilitate and advance robust OoD depth estimation. This challenge was developed based on the newly established KITTI-C and NYUDepth2-C benchmarks. We hosted two stand-alone tracks, with an emphasis on robust self-supervised and robust fully-supervised depth estimation, respectively. Out of more than two hundred participants, nine unique and top-performing solutions have appeared, with novel designs ranging from the following aspects: spatial- and frequency-domain augmentations, masked image modeling, image restoration and super-resolution, adversarial training, diffusion-based noise suppression, vision-language pre-training, learned model ensembling, and hierarchical feature enhancement. Extensive experimental analyses along with insightful observations are drawn to better understand the rationale behind each design. We hope this challenge could lay a solid foundation for future research on robust and reliable depth estimation and beyond. The datasets, competition toolkit, workshop recordings, and source code from the winning teams are publicly available on the challenge website.


GHP-MOFassemble: Diffusion modeling, high throughput screening, and molecular dynamics for rational discovery of novel metal-organic frameworks for carbon capture at scale

arXiv.org Artificial Intelligence

We introduce GHP-MOFassemble, a Generative artificial intelligence (AI), High Performance framework to accelerate the rational design of metal-organic frameworks (MOFs) with high CO2 capacity and synthesizable linkers. Our framework combines a diffusion model, a class of generative AI, to generate novel linkers that are assembled with one of three pre-selected nodes into MOFs in a primitive cubic (pcu) topology. The CO2 capacities of these AI-generated MOFs are predicted using a modified version of the crystal graph convolutional neural network model. We then use the LAMMPS code to perform molecular dynamics simulations to relax the AI-generated MOF structures, and identify those that converge to stable structures, and maintain their porous properties throughout the simulations. Among 120,000 pcu MOF candidates generated by the GHP-MOFassemble framework, with three distinct metal nodes (Cu paddlewheel, Zn paddlewheel, Zn tetramer), a total of 102 structures completed molecular dynamics simulations at 1 bar with predicted CO2 capacity higher than 2 mmol/g at 0.1 bar, which corresponds to the top 5% of hMOFs in the hypothetical MOF (hMOF) dataset in the MOFX-DB database. Among these candidates, 18 have change in density lower than 1% during molecular dynamics simulations, indicating their stability. We also found that the top five GHP-MOFassemble's MOF structures have CO2 capacities higher than 96.9% of hMOF structures. This new approach combines generative AI, graph modeling, large-scale molecular dynamics simulations, and extreme scale computing to open up new pathways for the accelerated discovery of novel MOF structures at scale.