OpenRaiser/Intern-Atlas huggingface dataset:
Mind the truncation gap: challenges of learning on dynamic graphs with recurrent architectures
Venue: arXiv cs.LG 2024
Year: 2024

Systems characterized by evolving interactions, prevalent in social, financial, and biological domains, are effectively modeled as continuous-time dynamic graphs (CTDGs). To manage the scale and complexity of these graph datasets, machine learning (ML) approaches have become essential. However, CTDGs pose challenges for ML because traditional static graph methods do not naturally account for event timings. Newer approaches, such as graph recurrent neural networks (GRNNs), are inherently time-aware and offer advantages over static methods for CTDGs. However, GRNNs face another issue: the short truncation of backpropagation-through-time (BPTT), whose impact has not been properly examined until now. In this work, we demonstrate that this truncation can limit the learning of dependencies beyond a single hop, resulting in reduced performance. Through experiments on a novel synthetic task and real-world datasets, we reveal a performance gap between full backpropagation-through-time (F-BPTT) and the truncated backpropagation-through-time (T-BPTT) commonly used to train GRNN models. We term this gap the "truncation gap" and argue that understanding and addressing it is essential as the importance of CTDGs grows, discussing potential future directions for research in this area.
PyG-SSL: A Graph Self-Supervised Learning Toolkit
Venue: arXiv cs.LG 2024
Year: 2024

Graph Self-Supervised Learning (SSL) has emerged as a pivotal area of research in recent years. By engaging in pretext tasks to learn the intricate topological structures and properties of graphs using unlabeled data, these graph SSL models achieve enhanced performance, improved generalization, and heightened robustness. Despite the remarkable achievements of these graph SSL methods, their current implementation poses significant challenges for beginners and practitioners due to the complex nature of graph structures, inconsistent evaluation metrics, and concerns regarding reproducibility hinder further progress in this field. Recognizing the growing interest within the research community, there is an urgent need for a comprehensive, beginner-friendly, and accessible toolkit consisting of the most representative graph SSL algorithms. To address these challenges, we present a Graph SSL toolkit named PyG-SSL, which is built upon PyTorch and is compatible with various deep learning and scientific computing backends. Within the toolkit, we offer a unified framework encompassing dataset loading, hyper-parameter configuration, model training, and comprehensive performance evaluation for diverse downstream tasks. Moreover, we provide beginner-friendly tutorials and the best hyper-parameters of each graph SSL algorithm on different graph datasets, facilitating the reproduction of results. The GitHub repository of the library is https://github.com/iDEA-iSAIL-Lab-UIUC/pyg-ssl.
Action-Agnostic Point-Level Supervision for Temporal Action Detection
Venue: arXiv cs.CV 2024
Year: 2024

We propose action-agnostic point-level (AAPL) supervision for temporal action detection to achieve accurate action instance detection with a lightly annotated dataset. In the proposed scheme, a small portion of video frames is sampled in an unsupervised manner and presented to human annotators, who then label the frames with action categories. Unlike point-level supervision, which requires annotators to search for every action instance in an untrimmed video, frames to annotate are selected without human intervention in AAPL supervision. We also propose a detection model and learning method to effectively utilize the AAPL labels. Extensive experiments on the variety of datasets (THUMOS '14, FineAction, GTEA, BEOID, and ActivityNet 1.3) demonstrate that the proposed approach is competitive with or outperforms prior methods for video-level and point-level supervision in terms of the trade-off between the annotation cost and detection performance.
Mathematical modelling of flow and adsorption in a gas chromatograph
Venue: arXiv cs.CE 2024
Year: 2024

In this paper, a mathematical model is developed to describe the evolution of the concentration of compounds through a gas chromatography column. The model couples mass balances and kinetic equations for all components. Both single and multiple-component cases are considered with constant or variable velocity. Non-dimensionalisation indicates the small effect of diffusion. The system where diffusion is neglected is analysed using Laplace transforms. In the multiple-component case, it is demonstrated that the competition between the compounds is negligible and the equations may be decoupled. This reduces the problem to solving a single integral equation to determine the concentration profile for all components (since they are scaled versions of each other). For a given analyte, we then only two parameters need to be fitted to the data. To verify this approach, the full governing equations are also solved numerically using the finite difference method and a global adaptive quadrature method to integrate the Laplace transformation. Comparison with the Laplace solution verifies the high degree of accuracy of the simpler Laplace form. The Laplace solution is then verified against experimental data from BTEX chromatography. This novel method, which involves solving a single equation and fitting parameters in pairs for individual components, is highly efficient. It is significantly faster and simpler than the full numerical solution and avoids the computationally expensive methods that would normally be used to fit all curves at the same time.
Numerical solutions of fixed points in two-dimensional Kuramoto-Sivashinsky equation expedited by reinforcement learning
Venue: arXiv cs.LG 2024
Year: 2024

This paper presents a combined approach to enhancing the effectiveness of Jacobian-Free Newton-Krylov (JFNK) method by deep reinforcement learning (DRL) in identifying fixed points within the 2D Kuramoto-Sivashinsky Equation (KSE). JFNK approach entails a good initial guess for improved convergence when searching for fixed points. With a properly defined reward function, we utilise DRL as a preliminary step to enhance the initial guess in the converging process. We report new results of fixed points in the 2D KSE which have not been reported in the literature. Additionally, we explored control optimization for the 2D KSE to navigate the system trajectories between known fixed points, based on parallel reinforcement learning techniques. This combined method underscores the improved JFNK approach to finding new fixed-point solutions within the context of 2D KSE, which may be instructive for other high-dimensional dynamical systems.
Transforming CCTV cameras into NO$_2$ sensors at city scale for adaptive policymaking
Venue: arXiv cs.LG 2024
Year: 2024

Air pollution in cities, especially NO\textsubscript{2}, is linked to numerous health problems, ranging from mortality to mental health challenges and attention deficits in children. While cities globally have initiated policies to curtail emissions, real-time monitoring remains challenging due to limited environmental sensors and their inconsistent distribution. This gap hinders the creation of adaptive urban policies that respond to the sequence of events and daily activities affecting pollution in cities. Here, we demonstrate how city CCTV cameras can act as a pseudo-NO\textsubscript{2} sensors. Using a predictive graph deep model, we utilised traffic flow from London's cameras in addition to environmental and spatial factors, generating NO\textsubscript{2} predictions from over 133 million frames. Our analysis of London's mobility patterns unveiled critical spatiotemporal connections, showing how specific traffic patterns affect NO\textsubscript{2} levels, sometimes with temporal lags of up to 6 hours. For instance, if trucks only drive at night, their effects on NO\textsubscript{2} levels are most likely to be seen in the morning when people commute. These findings cast doubt on the efficacy of some of the urban policies currently being implemented to reduce pollution. By leveraging existing camera infrastructure and our introduced methods, city planners and policymakers could cost-effectively monitor and mitigate the impact of NO\textsubscript{2} and other pollutants.
Training-free Heterogeneous Model Merging
Venue: arXiv cs.LG 2024
Year: 2024

Model merging has attracted significant attention as a powerful paradigm for model reuse, facilitating the integration of task-specific models into a singular, versatile framework endowed with multifarious capabilities. Previous studies, predominantly utilizing methods such as Weight Average (WA), have shown that model merging can effectively leverage pretrained models without the need for laborious retraining. However, the inherent heterogeneity among models poses a substantial constraint on its applicability, particularly when confronted with discrepancies in model architectures. To overcome this challenge, we propose an innovative model merging framework designed for heterogeneous models, encompassing both depth and width heterogeneity. To address depth heterogeneity, we introduce a layer alignment strategy that harmonizes model layers by segmenting deeper models, treating consecutive layers with similar representations as a cohesive segment, thus enabling the seamless merging of models with differing layer depths. For width heterogeneity, we propose a novel elastic neuron zipping algorithm that projects the weights from models of varying widths onto a common dimensional space, eliminating the need for identical widths. Extensive experiments validate the efficacy of these proposed methods, demonstrating that the merging of structurally heterogeneous models can achieve performance levels comparable to those of homogeneous merging, across both vision and NLP tasks. Our code is publicly available at https://github.com/zju-vipa/training_free_heterogeneous_model_merging.
Human-like Bots for Tactical Shooters Using Compute-Efficient Sensors
Venue: arXiv cs.HC 2024
Year: 2024

Artificial intelligence (AI) has enabled agents to master complex video games, from first-person shooters like Counter-Strike to real-time strategy games such as StarCraft II and racing games like Gran Turismo. While these achievements are notable, applying these AI methods in commercial video game production remains challenging due to computational constraints. In commercial scenarios, the majority of computational resources are allocated to 3D rendering, leaving limited capacity for AI methods, which often demand high computational power, particularly those relying on pixel-based sensors. Moreover, the gaming industry prioritizes creating human-like behavior in AI agents to enhance player experience, unlike academic models that focus on maximizing game performance. This paper introduces a novel methodology for training neural networks via imitation learning to play a complex, commercial-standard, VALORANT-like 2v2 tactical shooter game, requiring only modest CPU hardware during inference. Our approach leverages an innovative, pixel-free perception architecture using a small set of ray-cast sensors, which capture essential spatial information efficiently. These sensors allow AI to perform competently without the computational overhead of traditional methods. Models are trained to mimic human behavior using supervised learning on human trajectory data, resulting in realistic and engaging AI agents. Human evaluation tests confirm that our AI agents provide human-like gameplay experiences while operating efficiently under computational constraints. This offers a significant advancement in AI model development for tactical shooter games and possibly other genres.
GPT-4 on Clinic Depression Assessment: An LLM-Based Pilot Study
Venue: arXiv cs.CL 2024
Year: 2024

Depression has impacted millions of people worldwide and has become one of the most prevalent mental disorders. Early mental disorder detection can lead to cost savings for public health agencies and avoid the onset of other major comorbidities. Additionally, the shortage of specialized personnel is a critical issue because clinical depression diagnosis is highly dependent on expert professionals and is time consuming. In this study, we explore the use of GPT-4 for clinical depression assessment based on transcript analysis. We examine the model's ability to classify patient interviews into binary categories: depressed and not depressed. A comparative analysis is conducted considering prompt complexity (e.g., using both simple and complex prompts) as well as varied temperature settings to assess the impact of prompt complexity and randomness on the model's performance. Results indicate that GPT-4 exhibits considerable variability in accuracy and F1-Score across configurations, with optimal performance observed at lower temperature values (0.0-0.2) for complex prompts. However, beyond a certain threshold (temperature >= 0.3), the relationship between randomness and performance becomes unpredictable, diminishing the gains from prompt complexity. These findings suggest that, while GPT-4 shows promise for clinical assessment, the configuration of the prompts and model parameters requires careful calibration to ensure consistent results. This preliminary study contributes to understanding the dynamics between prompt engineering and large language models, offering insights for future development of AI-powered tools in clinical settings.
Extracting effective solutions hidden in large language models via generated comprehensive specialists: case studies in developing electronic devices
Venue: arXiv cs.CL 2024
Year: 2024

Recently, many studies have increasingly explored the use of large language models (LLMs) to generate research ideas and scientific hypotheses. However, real-world research and development often require solving complex, interdisciplinary challenges where solutions may not be readily found through existing knowledge related to the problem. Therefore, it is desirable to leverage the vast, comprehensive knowledge of LLMs to generate effective, breakthrough solutions by integrating various perspectives from other disciplines. Here, we propose SELLM (Solution Enumeration via comprehensive List and LLM), a framework leveraging LLMs and structured guidance using MECE (Mutually Exclusive, Collectively Exhaustive) principles, such as International Patent Classification (IPC) and the periodic table of elements. SELLM systematically constructs comprehensive expert agents from the list to generate cross-disciplinary and effective solutions. To evaluate SELLM's practicality, we applied it to two challenges: improving light extraction in organic light-emitting diode (OLED) lighting and developing electrodes for next-generation memory materials. The results demonstrate that SELLM significantly facilitates the generation of effective solutions compared to cases without specific customization or effort, showcasing the potential of SELLM to enable LLMs to generate effective solutions even for challenging problems.
Automatically Planning Optimal Parallel Strategy for Large Language Models
Venue: arXiv cs.AI 2024
Year: 2024

The number of parameters in large-scale language models based on transformers is gradually increasing, and the scale of computing clusters is also growing. The technology of quickly mobilizing large amounts of computing resources for parallel computing is becoming increasingly important. In this paper, we propose an automatic parallel algorithm that automatically plans the parallel strategy with maximum throughput based on model and hardware information. By decoupling the training time into computation, communication, and overlap, we established a training duration simulation model. Based on this simulation model, we prune the parallel solution space to shorten the search time required. The multi-node experiment results show that the algorithm can estimate the parallel training duration in real time with an average accuracy of 96%. In our test, the recommendation strategy provided by the algorithm is always globally optimal.
Optimal design of frame structures with mixed categorical and continuous design variables using the Gumbel-Softmax method
Venue: arXiv cs.CE 2024
Year: 2024

In optimizing real-world structures, due to fabrication or budgetary restraints, the design variables may be restricted to a set of standard engineering choices. Such variables, commonly called categorical variables, are discrete and unordered in essence, precluding the utilization of gradient-based optimizers for the problems containing them. In this paper, incorporating the Gumbel-Softmax (GSM) method, we propose a new gradient-based optimizer for handling such variables in the optimal design of large-scale frame structures. The GSM method provides a means to draw differentiable samples from categorical distributions, thereby enabling sensitivity analysis for the variables generated from such distributions. The sensitivity information can greatly reduce the computational cost of traversing high-dimensional and discrete design spaces in comparison to employing gradient-free optimization methods. In addition, since the developed optimizer is gradient-based, it can naturally handle the simultaneous optimization of categorical and continuous design variables. Through three numerical case studies, different aspects of the proposed optimizer are studied and its advantages over population-based optimizers, specifically a genetic algorithm, are demonstrated.
Collaborative Approaches to Enhancing Smart Vehicle Cybersecurity by AI-Driven Threat Detection
Venue: arXiv cs.CR 2024
Year: 2024

The introduction sets the stage for exploring collaborative approaches to bolstering smart vehicle cybersecurity through AI-driven threat detection. As the automotive industry increasingly adopts connected and automated vehicles (CAVs), the need for robust cybersecurity measures becomes paramount. With the emergence of new vulnerabilities and security requirements, the integration of advanced technologies such as 5G networks, blockchain, and quantum computing presents promising avenues for enhancing CAV cybersecurity . Additionally, the roadmap for cybersecurity in autonomous vehicles emphasizes the importance of efficient intrusion detection systems and AI-based techniques, along with the integration of secure hardware, software stacks, and advanced threat intelligence to address cybersecurity challenges in future autonomous vehicles.
Conceptual Modeling and Classification of Events
Venue: arXiv cs.SE 2024
Year: 2024

This paper is a sequel to an evolving research project on a diagrammatic methodology called thinging machine (TM). Initially, it was proposed as a base for conceptual modelling (e.g., conceptual UML) in areas such as requirement engineering. Conceptual modelling involves a high-level representation of a real-world system that integrates various components to refine it into a more concrete (computer) executable form. The TM project has progressed into a more comprehensive approach by applying it in several research areas and expanding its theoretical and ontological foundation. Accordingly, the first part of the paper involves enhancing some TM aspects related to structuring events in existence, such as absent events. The second part of the paper focuses on how to classify events and the kinds of relationships that can be recognized among events. The notion of events has occupied a central role in modelling. It influences computer science and such diverse disciplines as linguistics, probability theory, artificial intelligence, physics, philosophy and history. In TM, an event is defined as the so-called thimac (thing/machine) with a time breath that infuses dynamism into the static description of the thimac called a region. A region is a diagrammatic specification based on five generic actions: create, process, release, transfer and receive. The results of this research provide (a) an enrichment of conceptual modelling, especially concerning varieties of existence, e.g., absent events of negative propositions, and (b) a proposal that instead of semantic categorizations of events, it is possible to develop a new type of classification based on graphs grounded on the TM model diagrams.
Fast and Interpretable Mixed-Integer Linear Program Solving by Learning Model Reduction
Venue: arXiv cs.LG 2024
Year: 2024

By exploiting the correlation between the structure and the solution of Mixed-Integer Linear Programming (MILP), Machine Learning (ML) has become a promising method for solving large-scale MILP problems. Existing ML-based MILP solvers mainly focus on end-to-end solution learning, which suffers from the scalability issue due to the high dimensionality of the solution space. Instead of directly learning the optimal solution, this paper aims to learn a reduced and equivalent model of the original MILP as an intermediate step. The reduced model often corresponds to interpretable operations and is much simpler, enabling us to solve large-scale MILP problems much faster than existing commercial solvers. However, current approaches rely only on the optimal reduced model, overlooking the significant preference information of all reduced models. To address this issue, this paper proposes a preference-based model reduction learning method, which considers the relative performance (i.e., objective cost and constraint feasibility) of all reduced models on each MILP instance as preferences. We also introduce an attention mechanism to capture and represent preference information, which helps improve the performance of model reduction learning tasks. Moreover, we propose a SetCover based pruning method to control the number of reduced models (i.e., labels), thereby simplifying the learning process. Evaluation on real-world MILP problems shows that 1) compared to the state-of-the-art model reduction ML methods, our method obtains nearly 20% improvement on solution accuracy, and 2) compared to the commercial solver Gurobi, two to four orders of magnitude speedups are achieved.
Constant Degree Networks for Almost-Everywhere Reliable Transmission
Venue: arXiv cs.DC 2024
Year: 2024

In the almost-everywhere reliable message transmission problem, introduced by [Dwork, Pippenger, Peleg, Upfal'86], the goal is to design a sparse communication network $G$ that supports efficient, fault-tolerant protocols for interactions between all node pairs. By fault-tolerant, we mean that that even if an adversary corrupts a small fraction of vertices in $G$, then all but a small fraction of vertices can still communicate perfectly via the constructed protocols. Being successful to do so allows one to simulate, on a sparse graph, any fault-tolerant distributed computing task and secure multi-party computation protocols built for a complete network, with only minimal overhead in efficiency. Previous works on this problem achieved either constant-degree networks tolerating $o(1)$ faults, constant-degree networks tolerating a constant fraction of faults via inefficient protocols (exponential work complexity), or poly-logarithmic degree networks tolerating a constant fraction of faults. We show a construction of constant-degree networks with efficient protocols (i.e., with polylogarithmic work complexity) that can tolerate a constant fraction of adversarial faults, thus solving the main open problem of Dwork et al.. Our main contribution is a composition technique for communication networks, based on graph products. Our technique combines two networks tolerant to adversarial edge-faults to construct a network with a smaller degree while maintaining efficiency and fault-tolerance. We apply this composition result multiple times, using the polylogarithmic-degree edge-fault tolerant networks constructed in a recent work of [Bafna, Minzer, Vyas'24] (that are based on high-dimensional expanders) with itself, and then with the constant-degree networks (albeit with inefficient protocols) of [Upfal'92].