A Fast AI Surrogate for Coastal Ocean Circulation Models

Nearly 900 million people live in low-lying coastal zones around the world and bear the brunt of impacts from more frequent and severe hurricanes and storm surges. Oceanographers simulate ocean current circulation along the coasts to develop early warning systems that save lives and prevent loss and damage to property from coastal hazards. Traditionally, such simulations are conducted using coastal ocean circulation models such as the Regional Ocean Modeling System (ROMS), which usually runs on an HPC cluster with multiple CPU cores. However, the process is time-consuming and energy expensive. While coarse-grained ROMS simulations offer faster alternatives, they sacrifice detail and accuracy, particularly in complex coastal environments. Recent advances in deep learning and GPU architecture have enabled the development of faster AI (neural network) surrogates. This paper introduces an AI surrogate based on a 4D Swin Transformer to simulate coastal tidal wave propagation in an estuary for both hindcast and forecast (up to 12 days). Our approach not only accelerates simulations but also incorporates a physics-based constraint to detect and correct inaccurate results, ensuring reliability while minimizing manual intervention. We develop a fully GPU-accelerated workflow, optimizing the model training and inference pipeline on NVIDIA DGX-2 A100 GPUs. Our experiments demonstrate that our AI surrogate reduces the time cost of 12-day forecasting of traditional ROMS simulations from 9,908 seconds (on 512 CPU cores) to 22 seconds (on one A100 GPU), achieving over 450$\times$ speedup while maintaining high-quality simulation results. This work contributes to oceanographic modeling by offering a fast, accurate, and physically consistent alternative to traditional simulation models, particularly for real-time forecasting in rapid disaster response.

Self-Comparison for Dataset-Level Membership Inference in Large (Vision-)Language Models

Large Language Models (LLMs) and Vision-Language Models (VLMs) have made significant advancements in a wide range of natural language processing and vision-language tasks. Access to large web-scale datasets has been a key factor in their success. However, concerns have been raised about the unauthorized use of copyrighted materials and potential copyright infringement. Existing methods, such as sample-level Membership Inference Attacks (MIA) and distribution-based dataset inference, distinguish member data (data used for training) and non-member data by leveraging the common observation that models tend to memorize and show greater confidence in member data. Nevertheless, these methods face challenges when applied to LLMs and VLMs, such as the requirement for ground-truth member data or non-member data that shares the same distribution as the test data. In this paper, we propose a novel dataset-level membership inference method based on Self-Comparison. We find that a member prefix followed by a non-member suffix (paraphrased from a member suffix) can further trigger the model's memorization on training data. Instead of directly comparing member and non-member data, we introduce paraphrasing to the second half of the sequence and evaluate how the likelihood changes before and after paraphrasing. Unlike prior approaches, our method does not require access to ground-truth member data or non-member data in identical distribution, making it more practical. Extensive experiments demonstrate that our proposed method outperforms traditional MIA and dataset inference techniques across various datasets and models, including including public models, fine-tuned models, and API-based commercial models.

Light-Weight Fault Tolerant Attention for Large Language Model Training

Large Language Models (LLMs) have demonstrated remarkable performance in various natural language processing tasks. However, the training of these models is computationally intensive and susceptible to faults, particularly in the attention mechanism, which is a critical component of transformer-based LLMs. In this paper, we investigate the impact of faults on LLM training, focusing on INF, NaN, and near-INF values in the computation results with systematic fault injection experiments. We observe the propagation patterns of these errors, which can trigger non-trainable states in the model and disrupt training, forcing the procedure to load from checkpoints.To mitigate the impact of these faults, we propose ATTNChecker, the first Algorithm-Based Fault Tolerance (ABFT) technique tailored for the attention mechanism in LLMs. ATTNChecker is designed based on fault propagation patterns of LLM and incorporates performance optimization to adapt to both system reliability and model vulnerability while providing lightweight protection for fast LLM training. Evaluations on four LLMs show that ATTNChecker on average incurs on average 7% overhead on training while detecting and correcting all extreme errors. Compared with the state-of-the-art checkpoint/restore approach, ATTNChecker reduces recovery overhead by up to 49x.

Ctrl-GenAug: Controllable Generative Augmentation for Medical Sequence Classification

In the medical field, the limited availability of large-scale datasets and labor-intensive annotation processes hinder the performance of deep models. Diffusion-based generative augmentation approaches present a promising solution to this issue, having been proven effective in advancing downstream medical recognition tasks. Nevertheless, existing works lack sufficient semantic and sequential steerability for challenging video/3D sequence generation, and neglect quality control of noisy synthesized samples, resulting in unreliable synthetic databases and severely limiting the performance of downstream tasks. In this work, we present Ctrl-GenAug, a novel and general generative augmentation framework that enables highly semantic- and sequential-customized sequence synthesis and suppresses incorrectly synthesized samples, to aid medical sequence classification. Specifically, we first design a multimodal conditions-guided sequence generator for controllably synthesizing diagnosis-promotive samples. A sequential augmentation module is integrated to enhance the temporal/stereoscopic coherence of generated samples. Then, we propose a noisy synthetic data filter to suppress unreliable cases at semantic and sequential levels. Extensive experiments on 3 medical datasets, using 11 networks trained on 3 paradigms, comprehensively analyze the effectiveness and generality of Ctrl-GenAug, particularly in underrepresented high-risk populations and out-domain conditions.

Toward Capturing Genetic Epistasis From Multivariate Genome-Wide Association Studies Using Mixed-Precision Kernel Ridge Regression

We exploit the widening margin in tensor-core performance between [FP64/FP32/FP16/INT8,FP64/FP32/FP16/FP8/INT8] on NVIDIA [Ampere,Hopper] GPUs to boost the performance of output accuracy-preserving mixed-precision computation of Genome-Wide Association Studies (GWAS) of 305K patients from the UK BioBank, the largest-ever GWAS cohort studied for genetic epistasis using a multivariate approach. Tile-centric adaptive-precision linear algebraic techniques motivated by reducing data motion gain enhanced significance with low-precision GPU arithmetic. At the core of Kernel Ridge Regression (KRR) techniques for GWAS lie compute-bound cubic-complexity matrix operations that inhibit scaling to aspirational dimensions of the population, genotypes, and phenotypes. We accelerate KRR matrix generation by redesigning the computation for Euclidean distances to engage INT8 tensor cores while exploiting symmetry.We accelerate solution of the regularized KRR systems by deploying a new four-precision Cholesky-based solver, which, at 1.805 mixed-precision ExaOp/s on a nearly full Alps system, outperforms the state-of-the-art CPU-only REGENIE GWAS software by five orders of magnitude.

Six-CD: Benchmarking Concept Removals for Benign Text-to-image Diffusion Models

Text-to-image (T2I) diffusion models have shown exceptional capabilities in generating images that closely correspond to textual prompts. However, the advancement of T2I diffusion models presents significant risks, as the models could be exploited for malicious purposes, such as generating images with violence or nudity, or creating unauthorized portraits of public figures in inappropriate contexts. To mitigate these risks, concept removal methods have been proposed. These methods aim to modify diffusion models to prevent the generation of malicious and unwanted concepts. Despite these efforts, existing research faces several challenges: (1) a lack of consistent comparisons on a comprehensive dataset, (2) ineffective prompts in harmful and nudity concepts, (3) overlooked evaluation of the ability to generate the benign part within prompts containing malicious concepts. To address these gaps, we propose to benchmark the concept removal methods by introducing a new dataset, Six-CD, along with a novel evaluation metric. In this benchmark, we conduct a thorough evaluation of concept removals, with the experimental observations and discussions offering valuable insights in the field.

Construction of Functional Materials Knowledge Graph in Multidisciplinary Materials Science via Large Language Model

The convergence of materials science and artificial intelligence has unlocked new opportunities for gathering, analyzing, and generating novel materials sourced from extensive scientific literature. Despite the potential benefits, persistent challenges such as manual annotation, precise extraction, and traceability issues remain. Large language models have emerged as promising solutions to address these obstacles. This paper introduces Functional Materials Knowledge Graph (FMKG), a multidisciplinary materials science knowledge graph. Through the utilization of advanced natural language processing techniques, extracting millions of entities to form triples from a corpus comprising all high-quality research papers published in the last decade. It organizes unstructured information into nine distinct labels, covering Name, Formula, Acronym, Structure/Phase, Properties, Descriptor, Synthesis, Characterization Method, Application, and Domain, seamlessly integrating papers' Digital Object Identifiers. As the latest structured database for functional materials, FMKG acts as a powerful catalyst for expediting the development of functional materials and a fundation for building a more comprehensive material knowledge graph using full paper text. Furthermore, our research lays the groundwork for practical text-mining-based knowledge management systems, not only in intricate materials systems but also applicable to other specialized domains.

MLDT: Multi-Level Decomposition for Complex Long-Horizon Robotic Task Planning with Open-Source Large Language Model

In the realm of data-driven AI technology, the application of open-source large language models (LLMs) in robotic task planning represents a significant milestone. Recent robotic task planning methods based on open-source LLMs typically leverage vast task planning datasets to enhance models' planning abilities. While these methods show promise, they struggle with complex long-horizon tasks, which require comprehending more context and generating longer action sequences. This paper addresses this limitation by proposing MLDT, theMulti-Level Decomposition Task planning method. This method innovatively decomposes tasks at the goal-level, task-level, and action-level to mitigate the challenge of complex long-horizon tasks. In order to enhance open-source LLMs' planning abilities, we introduce a goal-sensitive corpus generation method to create high-quality training data and conduct instruction tuning on the generated corpus. Since the complexity of the existing datasets is not high enough, we construct a more challenging dataset, LongTasks, to specifically evaluate planning ability on complex long-horizon tasks. We evaluate our method using various LLMs on four datasets in VirtualHome. Our results demonstrate a significant performance enhancement in robotic task planning, showcasing MLDT's effectiveness in overcoming the limitations of existing methods based on open-source LLMs as well as its practicality in complex, real-world scenarios.

Unveiling and Mitigating Memorization in Text-to-image Diffusion Models through Cross Attention

Recent advancements in text-to-image diffusion models have demonstrated their remarkable capability to generate high-quality images from textual prompts. However, increasing research indicates that these models memorize and replicate images from their training data, raising tremendous concerns about potential copyright infringement and privacy risks. In our study, we provide a novel perspective to understand this memorization phenomenon by examining its relationship with cross-attention mechanisms. We reveal that during memorization, the cross-attention tends to focus disproportionately on the embeddings of specific tokens. The diffusion model is overfitted to these token embeddings, memorizing corresponding training images. To elucidate this phenomenon, we further identify and discuss various intrinsic findings of cross-attention that contribute to memorization. Building on these insights, we introduce an innovative approach to detect and mitigate memorization in diffusion models. The advantage of our proposed method is that it will not compromise the speed of either the training or the inference processes in these models while preserving the quality of generated images. Our code is available at https://github.com/renjie3/MemAttn .

The Good and The Bad: Exploring Privacy Issues in Retrieval-Augmented Generation

Retrieval-augmented generation (RAG) is a powerful technique to facilitate language model with proprietary and private data, where data privacy is a pivotal concern. Whereas extensive research has demonstrated the privacy risks of large language models (LLMs), the RAG technique could potentially reshape the inherent behaviors of LLM generation, posing new privacy issues that are currently under-explored. In this work, we conduct extensive empirical studies with novel attack methods, which demonstrate the vulnerability of RAG systems on leaking the private retrieval database. Despite the new risk brought by RAG on the retrieval data, we further reveal that RAG can mitigate the leakage of the LLMs' training data. Overall, we provide new insights in this paper for privacy protection of retrieval-augmented LLMs, which benefit both LLMs and RAG systems builders. Our code is available at https://github.com/phycholosogy/RAG-privacy.