OpenRaiser/Intern-Atlas huggingface dataset:
Exploring the Benefits of Domain-Pretraining of Generative Large Language Models for Chemistry
Venue: arXiv cs.CL 2024
Year: 2024

A proliferation of Large Language Models (the GPT series, BLOOM, LLaMA, and more) are driving forward novel development of multipurpose AI for a variety of tasks, particularly natural language processing (NLP) tasks. These models demonstrate strong performance on a range of tasks; however, there has been evidence of brittleness when applied to more niche or narrow domains where hallucinations or fluent but incorrect responses reduce performance. Given the complex nature of scientific domains, it is prudent to investigate the trade-offs of leveraging off-the-shelf versus more targeted foundation models for scientific domains. In this work, we examine the benefits of in-domain pre-training for a given scientific domain, chemistry, and compare these to open-source, off-the-shelf models with zero-shot and few-shot prompting. Our results show that not only do in-domain base models perform reasonably well on in-domain tasks in a zero-shot setting but that further adaptation using instruction fine-tuning yields impressive performance on chemistry-specific tasks such as named entity recognition and molecular formula generation.
Shem: A Hardware-Aware Optimization Framework for Analog Computing Systems
Venue: arXiv cs.ET 2024
Year: 2024

As the demand for efficient data processing escalates, reconfigurable analog hardware which implements novel analog compute paradigms, is promising for energy-efficient computing at the sensing and actuation boundaries. These analog computing platforms embed information in physical properties and then use the physics of materials, devices, and circuits to perform computation. These hardware platforms are more sensitive to nonidealities, such as noise and fabrication variations, than their digital counterparts and accrue high resource costs when programmable elements are introduced. Identifying resource-efficient analog system designs that mitigate these nonidealities is done manually today. While design optimization frameworks have been enormously successful in other fields, such as photonics, they typically either target linear dynamical systems that have closed-form solutions or target a specific differential equation system and then derive the solution through hand analysis. In both cases, time-domain simulation is no longer needed to predict hardware behavior. In contrast, described analog hardware platforms have nonlinear time-evolving dynamics that vary substantially from design to design, lack closed-form solutions, and require the optimizer to consider time explicitly. We present Shem, an optimization framework for analog systems. Shem leverages differentiation methods recently popularized to train neural ODEs to enable the optimization of analog systems that exhibit nonlinear dynamics, noise and mismatch, and discrete behavior. We evaluate Shem on oscillator-based pattern recognizer, CNN edge detector, and transmission-line security primitive design case studies and demonstrate it can improve designs. To our knowledge, the latter two design problems have not been optimized with automated methods before.
The American Sign Language Knowledge Graph: Infusing ASL Models with Linguistic Knowledge
Venue: arXiv cs.CL 2024
Year: 2024

Language models for American Sign Language (ASL) could make language technologies substantially more accessible to those who sign. To train models on tasks such as isolated sign recognition (ISR) and ASL-to-English translation, datasets provide annotated video examples of ASL signs. To facilitate the generalizability and explainability of these models, we introduce the American Sign Language Knowledge Graph (ASLKG), compiled from twelve sources of expert linguistic knowledge. We use the ASLKG to train neuro-symbolic models for 3 ASL understanding tasks, achieving accuracies of 91% on ISR, 14% for predicting the semantic features of unseen signs, and 36% for classifying the topic of Youtube-ASL videos.
CPIG: Leveraging Consistency Policy with Intention Guidance for Multi-agent Exploration
Venue: arXiv cs.MA 2024
Year: 2024

Efficient exploration is crucial in cooperative multi-agent reinforcement learning (MARL), especially in sparse-reward settings. However, due to the reliance on the unimodal policy, existing methods are prone to falling into the local optima, hindering the effective exploration of better policies. Furthermore, in sparse-reward settings, each agent tends to receive a scarce reward, which poses significant challenges to inter-agent cooperation. This not only increases the difficulty of policy learning but also degrades the overall performance of multi-agent tasks. To address these issues, we propose a Consistency Policy with Intention Guidance (CPIG), with two primary components: (a) introducing a multimodal policy to enhance the agent's exploration capability, and (b) sharing the intention among agents to foster agent cooperation. For component (a), CPIG incorporates a Consistency model as the policy, leveraging its multimodal nature and stochastic characteristics to facilitate exploration. Regarding component (b), we introduce an Intention Learner to deduce the intention on the global state from each agent's local observation. This intention then serves as a guidance for the Consistency Policy, promoting cooperation among agents. The proposed method is evaluated in multi-agent particle environments (MPE) and multi-agent MuJoCo (MAMuJoCo). Empirical results demonstrate that our method not only achieves comparable performance to various baselines in dense-reward environments but also significantly enhances performance in sparse-reward settings, outperforming state-of-the-art (SOTA) algorithms by 20%.
On the Error-correcting Capability of Twisted Centralizer Codes Obtained from a Fixed Rank-1 Matrix
Venue: arXiv cs.IT 2024
Year: 2024

In this paper, we give a generalization on the error correcting capability of twisted centralizer codes obtained from a fixed rank 1 matrix. In particular, we fix the combinatorial matrix which is obtained by getting the linear combination of the matrix whose all entries are 1 and the identity matrix of order n. Results reveal that such codes have a dimension 1 for any fixed combinatorial matrix and constant a hence having a relatively low information rate due to the way its codewords are constructed, but are found to be maximum distance separable codes.
Requirements Engineering for Older Adult Digital Health Software: A Systematic Literature Review
Venue: arXiv cs.SE 2024
Year: 2024

Growth of the older adult population has led to an increasing interest in technology-supported aged care. However, the area has some challenges such as a lack of caregivers and limitations in understanding the emotional, social, physical, and mental well-being needs of seniors. Furthermore, there is a gap in the understanding between developers and ageing people of their requirements. Digital health can be important in supporting older adults wellbeing, emotional requirements, and social needs. Requirements Engineering (RE) is a major software engineering field, which can help to identify, elicit and prioritize the requirements of stakeholders and ensure that the systems meet standards for performance, reliability, and usability. We carried out a systematic review of the literature on RE for older adult digital health software. This was necessary to show the representatives of the current stage of understanding the needs of older adults in aged care digital health. Using established guidelines outlined by the Kitchenham method, the PRISMA and the PICO guideline, we developed a protocol, followed by the systematic exploration of eight databases. This resulted in 69 primary studies of high relevance, which were subsequently subjected to data extraction, synthesis, and reporting. We highlight key RE processes in digital health software for ageing people. It explored the utilization of technology for older user well-being and care, and the evaluations of such solutions. The review also identified key limitations found in existing primary studies that inspire future research opportunities. The results indicate that requirement gathering and understanding have a significant variation between different studies. The differences are in the quality, depth, and techniques adopted for requirement gathering and these differences are largely due to uneven adoption of RE methods.
Towards Scalable Automated Grading: Leveraging Large Language Models for Conceptual Question Evaluation in Engineering
Venue: arXiv cs.CY 2024
Year: 2024

This study explores the feasibility of using large language models (LLMs), specifically GPT-4o (ChatGPT), for automated grading of conceptual questions in an undergraduate Mechanical Engineering course. We compared the grading performance of GPT-4o with that of human teaching assistants (TAs) on ten quiz problems from the MEEN 361 course at Texas A&M University, each answered by approximately 225 students. Both the LLM and TAs followed the same instructor-provided rubric to ensure grading consistency. We evaluated performance using Spearman's rank correlation coefficient and Root Mean Square Error (RMSE) to assess the alignment between rankings and the accuracy of scores assigned by GPT-4o and TAs under zero- and few-shot grading settings. In the zero-shot setting, GPT-4o demonstrated a strong correlation with TA grading, with Spearman's rank correlation coefficient exceeding 0.6 in seven out of ten datasets and reaching a high of 0.9387. Our analysis reveals that GPT-4o performs well when grading criteria are straightforward but struggles with nuanced answers, particularly those involving synonyms not present in the rubric. The model also tends to grade more stringently in ambiguous cases compared to human TAs. Overall, ChatGPT shows promise as a tool for grading conceptual questions, offering scalability and consistency.
Development of a Practical Articulated Wheeled In-pipe Robot for Both 3-4 in Force Main Inspection of Sewer Pipes
Venue: arXiv cs.RO 2024
Year: 2024

This paper reports a practical articulated wheeled in-pipe inspection robot "AIRo-7.1" which is waterproof and dustproof, and can adapt to 3 to 4 in inner diameters. The joint torque can be adjusted by a PWM open-loop control. The middle joint angle can be controlled by a position feedback control system while the other two joints are bent by torsional springs. Thanks to this simple and high-density design, not only downsizing of the robot but also wide range of the adaptive inner diameter were achieved. However, the relationship between the actual middle joint torque value and the PWM duty ratio should be pre-known because the reducer used in AIRo-7.1 was designed by ourselves. Therefore, preliminary experiments were conducted to clarify the relationship between them. To examine the adaptive movement, experiments in both 3 in and 4 in pipes with vertical, bend, and diameter change sections. Finally, field experiment was also conducted. From the results, high adaptability to different inner diameters of pipes and slippery environments were confirmed although waterproof and dustproof were not perfectly working.
TATAA: Programmable Mixed-Precision Transformer Acceleration with a Transformable Arithmetic Architecture
Venue: arXiv cs.AR 2024
Year: 2024

Modern transformer-based deep neural networks present unique technical challenges for effective acceleration in real-world applications. Apart from the vast amount of linear operations needed due to their sizes, modern transformer models are increasingly reliance on precise non-linear computations that make traditional low-bitwidth quantization methods and fixed-dataflow matrix accelerators ineffective for end-to-end acceleration. To address this need to accelerate both linear and non-linear operations in a unified and programmable framework, this paper introduces TATAA. TATAA employs 8-bit integer (int8) arithmetic for quantized linear layer operations through post-training quantization, while it relies on bfloat16 floating-point arithmetic to approximate non-linear layers of a transformer model. TATAA hardware features a transformable arithmetic architecture that supports both formats during runtime with minimal overhead, enabling it to switch between a systolic array mode for int8 matrix multiplications and a SIMD mode for vectorized bfloat16 operations. An end-to-end compiler is presented to enable flexible mapping from emerging transformer models to the proposed hardware. Experimental results indicate that our mixed-precision design incurs only 0.14% to 1.16% accuracy drop when compared with the pre-trained single-precision transformer models across a range of vision, language, and generative text applications. Our prototype implementation on the Alveo U280 FPGA currently achieves 2935.2 GOPS throughput on linear layers and a maximum of 189.5 GFLOPS for non-linear operations, outperforming related works by up to 1.45x in end-to-end throughput and 2.29x in DSP efficiency, while achieving 2.19x higher power efficiency than modern NVIDIA RTX4090 GPU.
Evaluating Eye Tracking Signal Quality with Real-time Gaze Interaction Simulation
Venue: arXiv cs.HC 2024
Year: 2024

We present a real-time gaze-based interaction simulation methodology using an offline dataset to evaluate the eye-tracking signal quality. This study employs three fundamental eye-movement classification algorithms to identify physiological fixations from the eye-tracking data. We introduce the Rank-1 fixation selection approach to identify the most stable fixation period nearest to a target, referred to as the trigger-event. Our evaluation explores how varying constraints impact the definition of trigger-events and evaluates the eye-tracking signal quality of defined trigger-events. Results show that while the dispersion threshold-based algorithm identifies trigger-events more accurately, the Kalman filter-based classification algorithm performs better in eye-tracking signal quality, as demonstrated through a user-centric quality assessment using user- and error-percentile tiers. Despite median user-level performance showing minor differences across algorithms, significant variability in signal quality across participants highlights the importance of algorithm selection to ensure system reliability.
Adaptive Consensus Gradients Aggregation for Scaled Distributed Training
Venue: arXiv cs.LG 2024
Year: 2024

Distributed machine learning has recently become a critical paradigm for training large models on vast datasets. We examine the stochastic optimization problem for deep learning within synchronous parallel computing environments under communication constraints. While averaging distributed gradients is the most widely used method for gradient estimation, whether this is the optimal strategy remains an open question. In this work, we analyze the distributed gradient aggregation process through the lens of subspace optimization. By formulating the aggregation problem as an objective-aware subspace optimization problem, we derive an efficient weighting scheme for gradients, guided by subspace coefficients. We further introduce subspace momentum to accelerate convergence while maintaining statistical unbiasedness in the aggregation. Our method demonstrates improved performance over the ubiquitous gradient averaging on multiple MLPerf tasks while remaining extremely efficient in both communicational and computational complexity.
Automating Exploratory Proteomics Research via Language Models
Venue: arXiv cs.AI 2024
Year: 2024

With the development of artificial intelligence, its contribution to science is evolving from simulating a complex problem to automating entire research processes and producing novel discoveries. Achieving this advancement requires both specialized general models grounded in real-world scientific data and iterative, exploratory frameworks that mirror human scientific methodologies. In this paper, we present PROTEUS, a fully automated system for scientific discovery from raw proteomics data. PROTEUS uses large language models (LLMs) to perform hierarchical planning, execute specialized bioinformatics tools, and iteratively refine analysis workflows to generate high-quality scientific hypotheses. The system takes proteomics datasets as input and produces a comprehensive set of research objectives, analysis results, and novel biological hypotheses without human intervention. We evaluated PROTEUS on 12 proteomics datasets collected from various biological samples (e.g. immune cells, tumors) and different sample types (single-cell and bulk), generating 191 scientific hypotheses. These were assessed using both automatic LLM-based scoring on 5 metrics and detailed reviews from human experts. Results demonstrate that PROTEUS consistently produces reliable, logically coherent results that align well with existing literature while also proposing novel, evaluable hypotheses. The system's flexible architecture facilitates seamless integration of diverse analysis tools and adaptation to different proteomics data types. By automating complex proteomics analysis workflows and hypothesis generation, PROTEUS has the potential to considerably accelerate the pace of scientific discovery in proteomics research, enabling researchers to efficiently explore large-scale datasets and uncover biological insights.
Fundamental Limits of Routing Attack on Network Overload
Venue: arXiv cs.NI 2024
Year: 2024

We quantify the threat of network adversaries to inducing \emph{network overload} through \emph{routing attacks}, where a subset of network nodes are hijacked by an adversary. We develop routing attacks on the hijacked nodes for two objectives related to overload: \emph{no-loss throughput minimization} and \emph{loss maximization}. The first objective attempts to identify a routing attack that minimizes the network's throughput that is guaranteed to survive. We develop a polynomial-time algorithm that can output the optimal routing attack in multi-hop networks with global information on the network's topology, and an algorithm with an approximation ratio of $2$ under partial information. The second objective attempts to maximize the throughput loss. We demonstrate that this problem is NP-hard, and develop two approximation algorithms with multiplicative and additive guarantees respectively in single-hop networks. We further investigate the adversary's optimal selection of nodes to hijack that can maximize network overload. We propose a heuristic polynomial-time algorithm to solve this NP-hard problem, and prove its optimality in special cases. We validate the near-optimal performance of the proposed algorithms over a wide range of network settings. Our results demonstrate that the proposed algorithms can accurately quantify the risk of overload given an arbitrary set of hijacked nodes and identify the critical nodes that should be protected against routing attacks.
A Novel Access Control and Privacy-Enhancing Approach for Models in Edge Computing
Venue: arXiv cs.CR 2024
Year: 2024

With the widespread adoption of edge computing technologies and the increasing prevalence of deep learning models in these environments, the security risks and privacy threats to models and data have grown more acute. Attackers can exploit various techniques to illegally obtain models or misuse data, leading to serious issues such as intellectual property infringement and privacy breaches. Existing model access control technologies primarily rely on traditional encryption and authentication methods; however, these approaches exhibit significant limitations in terms of flexibility and adaptability in dynamic environments. Although there have been advancements in model watermarking techniques for marking model ownership, they remain limited in their ability to proactively protect intellectual property and prevent unauthorized access. To address these challenges, we propose a novel model access control method tailored for edge computing environments. This method leverages image style as a licensing mechanism, embedding style recognition into the model's operational framework to enable intrinsic access control. Consequently, models deployed on edge platforms are designed to correctly infer only on license data with specific style, rendering them ineffective on any other data. By restricting the input data to the edge model, this approach not only prevents attackers from gaining unauthorized access to the model but also enhances the privacy of data on terminal devices. We conducted extensive experiments on benchmark datasets, including MNIST, CIFAR-10, and FACESCRUB, and the results demonstrate that our method effectively prevents unauthorized access to the model while maintaining accuracy. Additionally, the model shows strong resistance against attacks such as forged licenses and fine-tuning. These results underscore the method's usability, security, and robustness.
Data Fusion of Synthetic Query Variants With Generative Large Language Models
Venue: arXiv cs.IR 2024
Year: 2024

Considering query variance in information retrieval (IR) experiments is beneficial for retrieval effectiveness. Especially ranking ensembles based on different topically related queries retrieve better results than rankings based on a single query alone. Recently, generative instruction-tuned Large Language Models (LLMs) improved on a variety of different tasks in capturing human language. To this end, this work explores the feasibility of using synthetic query variants generated by instruction-tuned LLMs in data fusion experiments. More specifically, we introduce a lightweight, unsupervised, and cost-efficient approach that exploits principled prompting and data fusion techniques. In our experiments, LLMs produce more effective queries when provided with additional context information on the topic. Furthermore, our analysis based on four TREC newswire benchmarks shows that data fusion based on synthetic query variants is significantly better than baselines with single queries and also outperforms pseudo-relevance feedback methods. We publicly share the code and query datasets with the community as resources for follow-up studies.
Self-supervised Representation Learning for Cell Event Recognition through Time Arrow Prediction
Venue: arXiv cs.CV 2024
Year: 2024

The spatio-temporal nature of live-cell microscopy data poses challenges in the analysis of cell states which is fundamental in bioimaging. Deep-learning based segmentation or tracking methods rely on large amount of high quality annotations to work effectively. In this work, we explore an alternative solution: using feature maps obtained from self-supervised representation learning (SSRL) on time arrow prediction (TAP) for the downstream supervised task of cell event recognition. We demonstrate through extensive experiments and analysis that this approach can achieve better performance with limited annotation compared to models trained from end to end using fully supervised approach. Our analysis also provides insight into applications of the SSRL using TAP in live-cell microscopy.