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Invasive brain-computer interfaces have garnered significant attention due to their high performance. The current intracranial stereoElectroEncephaloGraphy (sEEG) foundation models typically build univariate representations based on a single channel. Some of them further use Transformer to model the relationship among channels. However, due to the locality and specificity of brain computation, their performance on more difficult tasks, e.g., speech decoding, which demands intricate processing in specific brain regions, is yet to be fully investigated. We hypothesize that building multi-variate representations within certain brain regions can better capture the specific neural processing. To explore this hypothesis, we collect a well-annotated Chinese word-reading sEEG dataset, targeting language-related brain networks, over 12 subjects. Leveraging this benchmark dataset, we developed the Du-IN model that can extract contextual embeddings from specific brain regions through discrete codebook-guided mask modeling. Our model achieves SOTA performance on the downstream 61-word classification task, surpassing all baseline models. Model comparison and ablation analysis reveal that our design choices, including (i) multi-variate representation by fusing channels in vSMC and STG regions and (ii) self-supervision by discrete codebook-guided mask modeling, significantly contribute to these performances. Collectively, our approach, inspired by neuroscience findings, capitalizing on multi-variate neural representation from specific brain regions, is suitable for invasive brain modeling. It marks a promising neuro-inspired AI approach in BCI.

We report on the development of an implementable physics-data hybrid dynamic model for an articulated manipulator to plan and operate in various scenarios. Meanwhile, the physics-based and data-driven dynamic models are studied in this research to select the best model for planning. The physics-based model is constructed using the Lagrangian method, and the loss terms include inertia loss, viscous loss, and friction loss. As for the data-driven model, three methods are explored, including DNN, LSTM, and XGBoost. Our modeling results demonstrate that, after comprehensive hyperparameter optimization, the XGBoost architecture outperforms DNN and LSTM in accurately representing manipulator dynamics. The hybrid model with physics-based and data-driven terms has the best performance among all models based on the RMSE criteria, and it only needs about 24k of training data. In addition, we developed a virtual force sensor of a manipulator using the observed external torque derived from the dynamic model and designed a motion planner through the physics-data hybrid dynamic model. The external torque contributes to forces and torque on the end effector, facilitating interaction with the surroundings, while the internal torque governs manipulator motion dynamics and compensates for internal losses. By estimating external torque via the difference between measured joint torque and internal losses, we implement a sensorless control strategy which is demonstrated through a peg-in-hole task. Lastly, a learning-based motion planner based on the hybrid dynamic model assists in planning time-efficient trajectories for the manipulator. This comprehensive approach underscores the efficacy of integrating physics-based and data-driven models for advanced manipulator control and planning in industrial environments., Comment: 26 pages, 16 figures

Thermometry based on magnetic resonance has been extensively studied due to its important application in biomedical imaging. In our previous work, we showed that the spin-spin relaxation time (T2) of nuclear magnetic resonance (NMR) in water is a highly sensitive thermometer as T2 scales with the highly temperature-sensitive self-diffusion constant of water. In this work, in addition to temperature dependent self-diffusion constant of a fluid, we utilize the temperature dependent magnetization of 4 nm SPIONs to improve T2 sensitivity (4.96) by 1.4 times over self-diffusion (3.48) alone in hexane between 248 K and 333 K. To extend the application of NMR T2 thermometry to engineering systems, we also investigate the temperature dependence of T2 in mineral oil (Thermo Scientific, J62592), which exhibits remarkably high sensitivity (11.62) between 273 K and 353 K. This result implies that applications of NMR T2 thermometry in heat transfer fluids are promising. NMR thermometry, however, is generally not applicable to solids. Therefore, we also evaluate the potential of electron spin resonance (ESR) thermometry with SPIONs in solids between 100 K and 290 K, for potential temperature monitoring in biomedical and engineering applications. The size and concentration effects on ESR signals are studied systematically, and our results show that the temperature dependent linewidth follows a T^-2 law for 4 nm SPIONs, while the concentration of SPIONs has no impact on the temperature dependence of the ESR linewidth. The linewidth at room temperature at 9.4 GHz is 10.5 mT. Combining our NMR and ESR results, we find that to obtain higher temperature sensitivity in a magnetic resonance technique using SPIONs, SPION with a small magnetic moment, i.e., a small volume and reduced magnetization, are beneficial., Comment: 45 pages, 16 figures

Designing molecules with desirable properties, such as drug-likeliness and high binding affinities towards protein targets, is a challenging problem. In this paper, we propose the Dual-Space Optimization (DSO) method that integrates latent space sampling and data space selection to solve this problem. DSO iteratively updates a latent space generative model and a synthetic dataset in an optimization process that gradually shifts the generative model and the synthetic data towards regions of desired property values. Our generative model takes the form of a Latent Prompt Transformer (LPT) where the latent vector serves as the prompt of a causal transformer. Our extensive experiments demonstrate effectiveness of the proposed method, which sets new performance benchmarks across single-objective, multi-objective and constrained molecule design tasks.

Existing hands datasets are largely short-range and the interaction is weak due to the self-occlusion and self-similarity of hands, which can not yet fit the need for interacting hands motion generation. To rescue the data scarcity, we propose HandDiffuse12.5M, a novel dataset that consists of temporal sequences with strong two-hand interactions. HandDiffuse12.5M has the largest scale and richest interactions among the existing two-hand datasets. We further present a strong baseline method HandDiffuse for the controllable motion generation of interacting hands using various controllers. Specifically, we apply the diffusion model as the backbone and design two motion representations for different controllers. To reduce artifacts, we also propose Interaction Loss which explicitly quantifies the dynamic interaction process. Our HandDiffuse enables various applications with vivid two-hand interactions, i.e., motion in-betweening and trajectory control. Experiments show that our method outperforms the state-of-the-art techniques in motion generation and can also contribute to data augmentation for other datasets. Our dataset, corresponding codes, and pre-trained models will be disseminated to the community for future research towards two-hand interaction modeling.

Many people engage in self-directed sports training at home but lack the real-time guidance of professional coaches, making them susceptible to injuries or the development of incorrect habits. In this paper, we propose a novel application framework called MAAIG(Motion Analysis And Instruction Generation). It can generate embedding vectors for each frame based on user-provided sports action videos. These embedding vectors are associated with the 3D skeleton of each frame and are further input into a pretrained T5 model. Ultimately, our model utilizes this information to generate specific sports instructions. It has the capability to identify potential issues and provide real-time guidance in a manner akin to professional coaches, helping users improve their sports skills and avoid injuries., Comment: Accepted to the ACM Multimedia Asia 2023 Workshop on Intelligent Sports Technologies (WIST)

Large Language Models (LLMs), including the LLaMA model, have exhibited their efficacy across various general-domain natural language processing (NLP) tasks. However, their performance in high-performance computing (HPC) domain tasks has been less than optimal due to the specialized expertise required to interpret the model responses. In response to this challenge, we propose HPC-GPT, a novel LLaMA-based model that has been supervised fine-tuning using generated QA (Question-Answer) instances for the HPC domain. To evaluate its effectiveness, we concentrate on two HPC tasks: managing AI models and datasets for HPC, and data race detection. By employing HPC-GPT, we demonstrate comparable performance with existing methods on both tasks, exemplifying its excellence in HPC-related scenarios. Our experiments on open-source benchmarks yield extensive results, underscoring HPC-GPT's potential to bridge the performance gap between LLMs and HPC-specific tasks. With HPC-GPT, we aim to pave the way for LLMs to excel in HPC domains, simplifying the utilization of language models in complex computing applications., Comment: 9 pages

Understanding semantic content from brain activity during sleep represents a major goal in neuroscience. While studies in rodents have shown spontaneous neural reactivation of memories during sleep, capturing the semantic content of human sleep poses a significant challenge due to the absence of well-annotated sleep datasets and the substantial differences in neural patterns between wakefulness and sleep. To address these challenges, we designed a novel cognitive neuroscience experiment and collected a comprehensive, well-annotated electroencephalography (EEG) dataset from 134 subjects during both wakefulness and sleep. Leveraging this benchmark dataset, we developed SI-SD that enhances sleep semantic decoding through the position-wise alignment of neural latent sequence between wakefulness and sleep. In the 15-way classification task, our model achieves 24.12% and 21.39% top-1 accuracy on unseen subjects for NREM 2/3 and REM sleep, respectively, surpassing all other baselines. With additional fine-tuning, decoding performance improves to 30.32% and 31.65%, respectively. Besides, inspired by previous neuroscientific findings, we systematically analyze how the "Slow Oscillation" event impacts decoding performance in NREM 2/3 sleep -- decoding performance on unseen subjects further improves to 40.02%. Together, our findings and methodologies contribute to a promising neuro-AI framework for decoding brain activity during sleep.

Biologically-inspired Spiking Neural Networks (SNNs), processing information using discrete-time events known as spikes rather than continuous values, have garnered significant attention due to their hardware-friendly and energy-efficient characteristics. However, the training of SNNs necessitates a considerably large memory footprint, given the additional storage requirements for spikes or events, leading to a complex structure and dynamic setup. In this paper, to address memory constraint in SNN training, we introduce an innovative framework, characterized by a remarkably low memory footprint. We \textbf{(i)} design a reversible SNN node that retains a high level of accuracy. Our design is able to achieve a $\mathbf{58.65\times}$ reduction in memory usage compared to the current SNN node. We \textbf{(ii)} propose a unique algorithm to streamline the backpropagation process of our reversible SNN node. This significantly trims the backward Floating Point Operations Per Second (FLOPs), thereby accelerating the training process in comparison to current reversible layer backpropagation method. By using our algorithm, the training time is able to be curtailed by $\mathbf{23.8\%}$ relative to existing reversible layer architectures.

Recent advancements in large-scale models, such as GPT-4, have showcased remarkable capabilities in addressing standard queries. However, when facing complex problems that require multi-step logical reasoning, their accuracy dramatically decreases. Current research has explored the realm of \textit{prompting engineering} to bolster the inferential capacities of these models. Our paper unveils a pioneering prompting technique, dubbed \textit{Graph of Thoughts (GoT)}. Through testing on a trio of escalating challenges: the 24-point game, resolution of high-degree polynomial equations, and derivation of formulas for recursive sequences, our method outperformed GPT-4, achieving accuracy improvements of $89.7\%$, $86\%$, and $56\%$ for each respective task. Moreover, when juxtaposed with the state-of-the-art (SOTA) prompting method, \textit{Tree of Thought (ToT)}, our approach registered an average accuracy boost of $23\%$, $24\%$, and $15\%$.

Data races pose a significant threat in multi-threaded parallel applications due to their negative impact on program correctness. DataRaceBench, an open-source benchmark suite, is specifically crafted to assess these data race detection tools in a systematic and measurable manner. Machine learning techniques have recently demonstrated considerable potential in high-performance computing (HPC) program analysis and optimization. However, these techniques require specialized data formats for training and refinement. This paper presents the latest update to DataRaceBench, incorporating new data race contributions from Wu et al. \cite{wu2023model}, and introduces a derived dataset named DataRaceBench-ML (DRB-ML) \cite{drbml}. DRB-ML aligns with the emerging trend of machine learning and large language models. Originating from DataRaceBench, this dataset includes detailed labels that denote the presence of a data race and provides comprehensive details of associated variables, such as variable names, line numbers, and the operation (read/write). Unique to DRB-ML, we have also integrated a series of tailored prompt-response pairs specifically designed for LLM fine-tuning.

Large language models (LLMs) are demonstrating significant promise as an alternate strategy to facilitate analyses and optimizations of high-performance computing programs, circumventing the need for resource-intensive manual tool creation. In this paper, we explore a novel LLM-based data race detection approach combining prompting engineering and fine-tuning techniques. We create a dedicated dataset named DRB-ML, which is derived from DataRaceBench, with fine-grain labels showing the presence of data race pairs and their associated variables, line numbers, and read/write information. DRB-ML is then used to evaluate representative LLMs and fine-tune open-source ones. Our experiment shows that LLMs can be a viable approach to data race detection. However, they still cannot compete with traditional data race detection tools when we need detailed information about variable pairs causing data races.

In this study, we present a novel dataset for training machine learning models translating between OpenMP Fortran and C++ code. To ensure reliability and applicability, the dataset is created from a range of representative open-source OpenMP benchmarks. It is also refined using a meticulous code similarity test. The effectiveness of our dataset is assessed using both quantitative (CodeBLEU) and qualitative (human evaluation) methods. We showcase how this dataset significantly elevates the translation competencies of large language models (LLMs). Specifically, models without prior coding knowledge experienced a boost of $\mathbf{\times~5.1}$ in their CodeBLEU scores, while models with some coding familiarity saw an impressive $\mathbf{\times~9.9}$-fold increase. The best fine-tuned model using our dataset outperforms GPT-4. It is also reaching human-level accuracy. This work underscores the immense potential of our dataset in propelling advancements in the domain of code translation for high-performance computing. The dataset is accessible at \href{https://github.com/bin123apple/Fortran-CPP-HPC-code-translation-dataset}{OpenMP-Fortran-CPP-Translation}., Comment: This paper was accepted by the HPEC 2023 conference and received the Outstanding Student Paper Award

In recent years, language models (LMs), such as GPT-4, have been widely used in multiple domains, including natural language processing, visualization, and so on. However, applying them for analyzing and optimizing high-performance computing (HPC) software is still challenging due to the lack of HPC-specific support. In this paper, we design the LM4HPC framework to facilitate the research and development of HPC software analyses and optimizations using LMs. Tailored for supporting HPC datasets, AI models, and pipelines, our framework is built on top of a range of components from different levels of the machine learning software stack, with Hugging Face-compatible APIs. Using three representative tasks, we evaluated the prototype of our framework. The results show that LM4HPC can help users quickly evaluate a set of state-of-the-art models and generate insightful leaderboards.

In recent months, Language Models (LMs) have become a part of daily discourse, with focus on OpenAI and the potential of Artificial General Intelligence (AGI). Furthermore, the leaking of LLama's weights to the public has led to an influx of innovations demonstrating the impressive capabilities of generative LMs. While we believe that AGI is still a distant goal, we recognize the potential of LMs in solving tasks such as searching complex documents, compiling reports with basic analysis, and providing assistance in problem-solving. In this paper, we propose formalizing the execution model of language models. We investigate current execution models, to find that this formalism has received little attention, and present our contribution: the first formalized execution model for LMs. We introduce a new algorithm for sampling the predictions of LMs, which we use to build a reliable and inspectable execution model. We introduce a low-level language to write "cognitive program" for this execution model. We hope to shed light on the need for execution models for LMs and encourage further research in this area., Comment: Submitted to CGO-24

With the increasing prevalence of artificial intelligence (AI) in diverse science/engineering communities, AI models emerge on an unprecedented scale among various domains. However, given the complexity and diversity of the software and hardware environments, reusing AI artifacts (models and datasets) is extremely challenging, especially with AI-driven science applications. Building an ecosystem to run and reuse AI applications/datasets at scale efficiently becomes increasingly essential for diverse science and engineering and high-performance computing (HPC) communities. In this paper, we innovate over an HPC-AI ecosystem -- HPCFair, which enables the Findable, Accessible, Interoperable, and Reproducible (FAIR) principles. HPCFair enables the collection of AI models/datasets allowing users to download/upload AI artifacts with authentications. Most importantly, our proposed framework provides user-friendly APIs for users to easily run inference jobs and customize AI artifacts to their tasks as needed. Our results show that, with HPCFair API, users irrespective of technical expertise in AI, can easily leverage AI artifacts to their tasks with minimal effort., Comment: Accepted at the 2nd Annual AAAI Workshop on AI to Accelerate Science and Engineering (AI2ASE)

The FAIR Guiding Principles aim to improve the findability, accessibility, interoperability, and reusability of digital content by making them both human and machine actionable. However, these principles have not yet been broadly adopted in the domain of machine learning-based program analyses and optimizations for High-Performance Computing (HPC). In this paper, we design a methodology to make HPC datasets and machine learning models FAIR after investigating existing FAIRness assessment and improvement techniques. Our methodology includes a comprehensive, quantitative assessment for elected data, followed by concrete, actionable suggestions to improve FAIRness with respect to common issues related to persistent identifiers, rich metadata descriptions, license and provenance information. Moreover, we select a representative training dataset to evaluate our methodology. The experiment shows the methodology can effectively improve the dataset and model's FAIRness from an initial score of 19.1% to the final score of 83.0%.

Programming Language Processing (PLP) using machine learning has made vast improvements in the past few years. Increasingly more people are interested in exploring this promising field. However, it is challenging for new researchers and developers to find the right components to construct their own machine learning pipelines, given the diverse PLP tasks to be solved, the large number of datasets and models being released, and the set of complex compilers or tools involved. To improve the findability, accessibility, interoperability and reusability (FAIRness) of machine learning components, we collect and analyze a set of representative papers in the domain of machine learning-based PLP. We then identify and characterize key concepts including PLP tasks, model architectures and supportive tools. Finally, we show some example use cases of leveraging the reusable components to construct machine learning pipelines to solve a set of PLP tasks.