OpenRaiser/Intern-Atlas huggingface dataset:
OpenChemIE: An Information Extraction Toolkit For Chemistry Literature
Venue: arXiv cs.LG 2024
Year: 2024

Information extraction from chemistry literature is vital for constructing up-to-date reaction databases for data-driven chemistry. Complete extraction requires combining information across text, tables, and figures, whereas prior work has mainly investigated extracting reactions from single modalities. In this paper, we present OpenChemIE to address this complex challenge and enable the extraction of reaction data at the document level. OpenChemIE approaches the problem in two steps: extracting relevant information from individual modalities and then integrating the results to obtain a final list of reactions. For the first step, we employ specialized neural models that each address a specific task for chemistry information extraction, such as parsing molecules or reactions from text or figures. We then integrate the information from these modules using chemistry-informed algorithms, allowing for the extraction of fine-grained reaction data from reaction condition and substrate scope investigations. Our machine learning models attain state-of-the-art performance when evaluated individually, and we meticulously annotate a challenging dataset of reaction schemes with R-groups to evaluate our pipeline as a whole, achieving an F1 score of 69.5%. Additionally, the reaction extraction results of \ours attain an accuracy score of 64.3% when directly compared against the Reaxys chemical database. We provide OpenChemIE freely to the public as an open-source package, as well as through a web interface.
Measuring the Redundancy of Information from a Source Failure Perspective
Venue: arXiv cs.IT 2024
Year: 2024

In this paper, we define a new measure of the redundancy of information from a fault tolerance perspective. The partial information decomposition (PID) emerged last decade as a framework for decomposing the multi-source mutual information $I(T;X_1, ..., X_n)$ into atoms of redundant, synergistic, and unique information. It built upon the notion of redundancy/synergy from McGill's interaction information (McGill 1954). Separately, the redundancy of system components has served as a principle of fault tolerant engineering, for sensing, routing, and control applications. Here, redundancy is understood as the level of duplication necessary for the fault tolerant performance of a system. With these two perspectives in mind, we propose a new PID-based measure of redundancy $I_{\text{ft}}$, based upon the presupposition that redundant information is robust to individual source failures. We demonstrate that this new measure satisfies the common PID axioms from (Williams 2010). In order to do so, we establish an order-reversing correspondence between collections of source-fallible instantiations of a system, on the one hand, and the PID lattice from (Williams 2010), on the other.
Are large language models superhuman chemists?
Venue: arXiv cs.LG 2024
Year: 2024

Large language models (LLMs) have gained widespread interest due to their ability to process human language and perform tasks on which they have not been explicitly trained. However, we possess only a limited systematic understanding of the chemical capabilities of LLMs, which would be required to improve models and mitigate potential harm. Here, we introduce "ChemBench," an automated framework for evaluating the chemical knowledge and reasoning abilities of state-of-the-art LLMs against the expertise of chemists. We curated more than 2,700 question-answer pairs, evaluated leading open- and closed-source LLMs, and found that the best models outperformed the best human chemists in our study on average. However, the models struggle with some basic tasks and provide overconfident predictions. These findings reveal LLMs' impressive chemical capabilities while emphasizing the need for further research to improve their safety and usefulness. They also suggest adapting chemistry education and show the value of benchmarking frameworks for evaluating LLMs in specific domains.
AAdaM at SemEval-2024 Task 1: Augmentation and Adaptation for Multilingual Semantic Textual Relatedness
Venue: arXiv cs.CL 2024
Year: 2024

This paper presents our system developed for the SemEval-2024 Task 1: Semantic Textual Relatedness for African and Asian Languages. The shared task aims at measuring the semantic textual relatedness between pairs of sentences, with a focus on a range of under-represented languages. In this work, we propose using machine translation for data augmentation to address the low-resource challenge of limited training data. Moreover, we apply task-adaptive pre-training on unlabeled task data to bridge the gap between pre-training and task adaptation. For model training, we investigate both full fine-tuning and adapter-based tuning, and adopt the adapter framework for effective zero-shot cross-lingual transfer. We achieve competitive results in the shared task: our system performs the best among all ranked teams in both subtask A (supervised learning) and subtask C (cross-lingual transfer).
Addressing Heterogeneity in Federated Load Forecasting with Personalization Layers
Venue: arXiv cs.LG 2024
Year: 2024

The advent of smart meters has enabled pervasive collection of energy consumption data for training short-term load forecasting models. In response to privacy concerns, federated learning (FL) has been proposed as a privacy-preserving approach for training, but the quality of trained models degrades as client data becomes heterogeneous. In this paper we propose the use of personalization layers for load forecasting in a general framework called PL-FL. We show that PL-FL outperforms FL and purely local training, while requiring lower communication bandwidth than FL. This is done through extensive simulations on three different datasets from the NREL ComStock repository.
FT2Ra: A Fine-Tuning-Inspired Approach to Retrieval-Augmented Code Completion
Venue: arXiv cs.SE 2024
Year: 2024

The rise of code pre-trained models has significantly enhanced various coding tasks, such as code completion, and tools like GitHub Copilot. However, the substantial size of these models, especially large models, poses a significant challenge when it comes to fine-tuning them for specific downstream tasks. As an alternative approach, retrieval-based methods have emerged as a promising solution, augmenting model predictions without the need for fine-tuning. Despite their potential, a significant challenge is that the designs of these methods often rely on heuristics, leaving critical questions about what information should be stored or retrieved and how to interpolate such information for augmenting predictions. To tackle this challenge, we first perform a theoretical analysis of the fine-tuning process, highlighting the importance of delta logits as a catalyst for improving model predictions. Building on this insight, we develop a novel retrieval-based method, FT2Ra, which aims to mimic genuine fine-tuning. While FT2Ra adopts a retrieval-based mechanism, it uniquely adopts a paradigm with a learning rate and multi-epoch retrievals, which is similar to fine-tuning.In token-level completion, which represents a relatively easier task, FT2Ra achieves a 4.29% improvement in accuracy compared to the best baseline method on UniXcoder. In the more challenging line-level completion task, we observe a substantial more than twice increase in Exact Match (EM) performance, indicating the significant advantages of our theoretical analysis. Notably, even when operating without actual fine-tuning, FT2Ra exhibits competitive performance compared to the models with real fine-tuning.
Diffusion Deepfake
Venue: arXiv cs.CV 2024
Year: 2024

Recent progress in generative AI, primarily through diffusion models, presents significant challenges for real-world deepfake detection. The increased realism in image details, diverse content, and widespread accessibility to the general public complicates the identification of these sophisticated deepfakes. Acknowledging the urgency to address the vulnerability of current deepfake detectors to this evolving threat, our paper introduces two extensive deepfake datasets generated by state-of-the-art diffusion models as other datasets are less diverse and low in quality. Our extensive experiments also showed that our dataset is more challenging compared to the other face deepfake datasets. Our strategic dataset creation not only challenge the deepfake detectors but also sets a new benchmark for more evaluation. Our comprehensive evaluation reveals the struggle of existing detection methods, often optimized for specific image domains and manipulations, to effectively adapt to the intricate nature of diffusion deepfakes, limiting their practical utility. To address this critical issue, we investigate the impact of enhancing training data diversity on representative detection methods. This involves expanding the diversity of both manipulation techniques and image domains. Our findings underscore that increasing training data diversity results in improved generalizability. Moreover, we propose a novel momentum difficulty boosting strategy to tackle the additional challenge posed by training data heterogeneity. This strategy dynamically assigns appropriate sample weights based on learning difficulty, enhancing the model's adaptability to both easy and challenging samples. Extensive experiments on both existing and newly proposed benchmarks demonstrate that our model optimization approach surpasses prior alternatives significantly.
FLEXIS: FLEXible Frequent Subgraph Mining using Maximal Independent Sets
Venue: arXiv cs.DB 2024
Year: 2024

Frequent Subgraph Mining (FSM) is the process of identifying common subgraph patterns that surpass a predefined frequency threshold. While FSM is widely applicable in fields like bioinformatics, chemical analysis, and social network anomaly detection, its execution remains time-consuming and complex. This complexity stems from the need to recognize high-frequency subgraphs and ascertain if they exceed the set threshold. Current approaches to identifying these patterns often rely on edge or vertex extension methods. However, these strategies can introduce redundancies and cause increased latency. To address these challenges, this paper introduces a novel approach for identifying potential k-vertex patterns by combining two frequently observed (k - 1)-vertex patterns. This method optimizes the breadth-]first search, which allows for quicker search termination based on vertices count and support value. Another challenge in FSM is the validation of the presumed pattern against a specific threshold. Existing metrics, such as Maximum Independent Set (MIS) and Minimum Node Image (MNI), either demand significant computational time or risk overestimating pattern counts. Our innovative approach aligns with the MIS and identifies independent subgraphs. Through the "Maximal Independent Set" metric, this paper offers an efficient solution that minimizes latency and provides users with control over pattern overlap. Through extensive experimentation, our proposed method achieves an average of 10.58x speedup when compared to GraMi and an average 3x speedup when compared to T-FSM
Optimizing Distributed Protocols with Query Rewrites [Technical Report]
Venue: arXiv cs.DC 2024
Year: 2024

Distributed protocols such as 2PC and Paxos lie at the core of many systems in the cloud, but standard implementations do not scale. New scalable distributed protocols are developed through careful analysis and rewrites, but this process is ad hoc and error-prone. This paper presents an approach for scaling any distributed protocol by applying rule-driven rewrites, borrowing from query optimization. Distributed protocol rewrites entail a new burden: reasoning about spatiotemporal correctness. We leverage order-insensitivity and data dependency analysis to systematically identify correct coordination-free scaling opportunities. We apply this analysis to create preconditions and mechanisms for coordination-free decoupling and partitioning, two fundamental vertical and horizontal scaling techniques. Manual rule-driven applications of decoupling and partitioning improve the throughput of 2PC by $5\times$ and Paxos by $3\times$, and match state-of-the-art throughput in recent work. These results point the way toward automated optimizers for distributed protocols based on correct-by-construction rewrite rules.
Haina Storage: A Decentralized Secure Storage Framework Based on Improved Blockchain Structure
Venue: arXiv cs.CR 2024
Year: 2024

Although the decentralized storage technology based on the blockchain can effectively realize secure data storage on cloud services. However, there are still some problems in the existing schemes, such as low storage capacity and low efficiency. To address related issues, we propose a novel decentralized storage framework, which mainly includes four aspects: (1) we proposed a Bi-direction Circular Linked Chain Structure (BCLCS), which improves data's storage capacity and applicability in decentralized storage. (2) A Proof of Resources (PoR) decision model is proposed. By introducing the network environment as an essential evaluation parameter of storage right decision, the energy and time consumption of decision-making are reduced, and the fairness of decision-making is improved. (3) A chain structure dynamic locking mechanism (CSDLM) is designed to realize anti-traverse and access control. (4) A Bi-directional data Access Mechanism (BDAM) is proposed, which improves the efficiency of data access and acquisition in decentralized storage mode. The experimental results show that the framework has significantly improved the shortcomings of the current decentralized storage.
Audio Simulation for Sound Source Localization in Virtual Evironment
Venue: arXiv cs.LG 2024
Year: 2024

Non-line-of-sight localization in signal-deprived environments is a challenging yet pertinent problem. Acoustic methods in such predominantly indoor scenarios encounter difficulty due to the reverberant nature. In this study, we aim to locate sound sources to specific locations within a virtual environment by leveraging physically grounded sound propagation simulations and machine learning methods. This process attempts to overcome the issue of data insufficiency to localize sound sources to their location of occurrence especially in post-event localization. We achieve 0.786+/- 0.0136 F1-score using an audio transformer spectrogram approach.
Collaborative human-AI trust (CHAI-T): A process framework for active management of trust in human-AI collaboration
Venue: arXiv cs.HC 2024
Year: 2024

Collaborative human-AI (HAI) teaming combines the unique skills and capabilities of humans and machines in sustained teaming interactions leveraging the strengths of each. In tasks involving regular exposure to novelty and uncertainty, collaboration between adaptive, creative humans and powerful, precise artificial intelligence (AI) promises new solutions and efficiencies. User trust is essential to creating and maintaining these collaborative relationships. Established models of trust in traditional forms of AI typically recognize the contribution of three primary categories of trust antecedents: characteristics of the human user, characteristics of the technology, and environmental factors. The emergence of HAI teams, however, requires an understanding of human trust that accounts for the specificity of task contexts and goals, integrates processes of interaction, and captures how trust evolves in a teaming environment over time. Drawing on both the psychological and computer science literature, the process framework of trust in collaborative HAI teams (CHAI-T) presented in this paper adopts the tripartite structure of antecedents established by earlier models, while incorporating team processes and performance phases to capture the dynamism inherent to trust in teaming contexts. These features enable active management of trust in collaborative AI systems, with practical implications for the design and deployment of collaborative HAI teams.
Voice EHR: Introducing Multimodal Audio Data for Health
Venue: arXiv cs.SD 2024
Year: 2024

Artificial intelligence (AI) models trained on audio data may have the potential to rapidly perform clinical tasks, enhancing medical decision-making and potentially improving outcomes through early detection. Existing technologies depend on limited datasets collected with expensive recording equipment in high-income countries, which challenges deployment in resource-constrained, high-volume settings where audio data may have a profound impact on health equity. This report introduces a novel data type and a corresponding collection system that captures health data through guided questions using only a mobile/web application. The app facilitates the collection of an audio electronic health record (Voice EHR) which may contain complex biomarkers of health from conventional voice/respiratory features, speech patterns, and spoken language with semantic meaning and longitudinal context, potentially compensating for the typical limitations of unimodal clinical datasets. This report presents the application used for data collection, initial experiments on data quality, and case studies which demonstrate the potential of voice EHR to advance the scalability/diversity of audio AI.
ContrastCAD: Contrastive Learning-based Representation Learning for Computer-Aided Design Models
Venue: arXiv cs.CV 2024
Year: 2024

The success of Transformer-based models has encouraged many researchers to learn CAD models using sequence-based approaches. However, learning CAD models is still a challenge, because they can be represented as complex shapes with long construction sequences. Furthermore, the same CAD model can be expressed using different CAD construction sequences. We propose a novel contrastive learning-based approach, named ContrastCAD, that effectively captures semantic information within the construction sequences of the CAD model. ContrastCAD generates augmented views using dropout techniques without altering the shape of the CAD model. We also propose a new CAD data augmentation method, called a Random Replace and Extrude (RRE) method, to enhance the learning performance of the model when training an imbalanced training CAD dataset. Experimental results show that the proposed RRE augmentation method significantly enhances the learning performance of Transformer-based autoencoders, even for complex CAD models having very long construction sequences. The proposed ContrastCAD model is shown to be robust to permutation changes of construction sequences and performs better representation learning by generating representation spaces where similar CAD models are more closely clustered. Our codes are available at https://github.com/cm8908/ContrastCAD.
Interaction-Aware Vehicle Motion Planning with Collision Avoidance Constraints in Highway Traffic
Venue: arXiv cs.RO 2024
Year: 2024

This paper proposes collision-free optimal trajectory planning for autonomous vehicles in highway traffic, where vehicles need to deal with the interaction among each other. To address this issue, a novel optimal control framework is suggested, which couples the trajectory of surrounding vehicles with collision avoidance constraints. Additionally, we describe a trajectory optimization technique under state constraints, utilizing a planner based on Pontryagin's Minimum Principle, capable of numerically solving collision avoidance scenarios with surrounding vehicles. Simulation results demonstrate the effectiveness of the proposed approach regarding interaction-based motion planning for different scenarios.
A Lightweight Security Solution for Mitigation of Hatchetman Attack in RPL-based 6LoWPAN
Venue: arXiv cs.CR 2024
Year: 2024

In recent times, the Internet of Things (IoT) has a significant rise in industries, and we live in the era of Industry 4.0, where each device is connected to the Internet from small to big. These devices are Artificial Intelligence (AI) enabled and are capable of perspective analytics. By 2023, it's anticipated that over 14 billion smart devices will be available on the Internet. These applications operate in a wireless environment where memory, power, and other resource limitations apply to the nodes. In addition, the conventional routing method is ineffective in networks with limited resource devices, lossy links, and slow data rates. Routing Protocol for Low Power and Lossy Networks (RPL), a new routing protocol for such networks, was proposed by the IETF's ROLL group. RPL operates in two modes: Storing and Non-Storing. In Storing mode, each node have the information to reach to other node. In Non-Storing mode, the routing information lies with the root node only. The attacker may exploit the Non-Storing feature of the RPL. When the root node transmits User Datagram Protocol~(UDP) or control message packet to the child nodes, the routing information is stored in the extended header of the IPv6 packet. The attacker may modify the address from the source routing header which leads to Denial of Service (DoS) attack. This attack is RPL specific which is known as Hatchetman attack. This paper shows significant degradation in terms of network performance when an attacker exploits this feature. We also propose a lightweight mitigation of Hatchetman attack using game theoretic approach to detect the Hatchetman attack in IoT.
AddSR: Accelerating Diffusion-based Blind Super-Resolution with Adversarial Diffusion Distillation
Venue: arXiv cs.CV 2024
Year: 2024

Blind super-resolution methods based on stable diffusion showcase formidable generative capabilities in reconstructing clear high-resolution images with intricate details from low-resolution inputs. However, their practical applicability is often hampered by poor efficiency, stemming from the requirement of thousands or hundreds of sampling steps. Inspired by the efficient adversarial diffusion distillation (ADD), we design~\name~to address this issue by incorporating the ideas of both distillation and ControlNet. Specifically, we first propose a prediction-based self-refinement strategy to provide high-frequency information in the student model output with marginal additional time cost. Furthermore, we refine the training process by employing HR images, rather than LR images, to regulate the teacher model, providing a more robust constraint for distillation. Second, we introduce a timestep-adaptive ADD to address the perception-distortion imbalance problem introduced by original ADD. Extensive experiments demonstrate our~\name~generates better restoration results, while achieving faster speed than previous SD-based state-of-the-art models (e.g., $7$$\times$ faster than SeeSR).