pwc-archive/papers-with-abstracts huggingface dataset:
Driver Fatigue Prediction using Randomly Activated Neural Networks for Smart Ridesharing Platforms
Authors: Sree Pooja Akula, Mukund Telukunta, Venkata Sriram Siddhardh Nadendla
Date: 2024-04-16 00:00:00

Drivers in ridesharing platforms exhibit cognitive atrophy and fatigue as they accept ride offers along the day, which can have a significant impact on the overall efficiency of the ridesharing platform. In contrast to the current literature which focuses primarily on modeling and learning driver's preferences across different ride offers, this paper proposes a novel Dynamic Discounted Satisficing (DDS) heuristic to model and predict driver's sequential ride decisions during a given shift. Based on DDS heuristic, a novel stochastic neural network with random activations is proposed to model DDS heuristic and predict the final decision made by a given driver. The presence of random activations in the network necessitated the development of a novel training algorithm called Sampling-Based Back Propagation Through Time (SBPTT), where gradients are computed for independent instances of neural networks (obtained via sampling the distribution of activation threshold) and aggregated to update the network parameters. Using both simulation experiments as well as on real Chicago taxi dataset, this paper demonstrates the improved performance of the proposed approach, when compared to state-of-the-art methods.
Automating REST API Postman Test Cases Using LLM
Authors: S Deepika Sri, Mohammed Aadil S, Sanjjushri Varshini R, Raja CSP Raman, Gopinath Rajagopal, S Taranath Chan
Date: 2024-04-16 00:00:00
Tasks: Natural Language Understanding

In the contemporary landscape of technological advancements, the automation of manual processes is crucial, compelling the demand for huge datasets to effectively train and test machines. This research paper is dedicated to the exploration and implementation of an automated approach to generate test cases specifically using Large Language Models. The methodology integrates the use of Open AI to enhance the efficiency and effectiveness of test case generation for training and evaluating Large Language Models. This formalized approach with LLMs simplifies the testing process, making it more efficient and comprehensive. Leveraging natural language understanding, LLMs can intelligently formulate test cases that cover a broad range of REST API properties, ensuring comprehensive testing. The model that is developed during the research is trained using manually collected postman test cases or instances for various Rest APIs. LLMs enhance the creation of Postman test cases by automating the generation of varied and intricate test scenarios. Postman test cases offer streamlined automation, collaboration, and dynamic data handling, providing a user-friendly and efficient approach to API testing compared to traditional test cases. Thus, the model developed not only conforms to current technological standards but also holds the promise of evolving into an idea of substantial importance in future technological advancements.
Self-playing Adversarial Language Game Enhances LLM Reasoning
Authors: Pengyu Cheng, Tianhao Hu, Han Xu, Zhisong Zhang, Zheng Yuan, Yong Dai, Lei Han, Nan Du, Xiaolong Li
Date: 2024-04-16 00:00:00

We explore the potential of self-play training for large language models (LLMs) in a two-player adversarial language game called Adversarial Taboo. In this game, an attacker and a defender communicate around a target word only visible to the attacker. The attacker aims to induce the defender to speak the target word unconsciously, while the defender tries to infer the target word from the attacker's utterances. To win the game, both players must have sufficient knowledge about the target word and high-level reasoning ability to infer and express in this information-reserved conversation. Hence, we are curious about whether LLMs' reasoning ability can be further enhanced by Self-Playing this Adversarial language Game (SPAG). With this goal, we select several open-source LLMs and let each act as the attacker and play with a copy of itself as the defender on an extensive range of target words. Through reinforcement learning on the game outcomes, we observe that the LLMs' performances uniformly improve on a broad range of reasoning benchmarks. Furthermore, iteratively adopting this self-play process can continuously promote LLMs' reasoning abilities. The code is available at https://github.com/Linear95/SPAG.
HLAT: High-quality Large Language Model Pre-trained on AWS Trainium
Authors: Haozheng Fan, Hao Zhou, Guangtai Huang, Parameswaran Raman, Xinwei Fu, Gaurav Gupta, Dhananjay Ram, Yida Wang, Jun Huan
Date: 2024-04-16 00:00:00
Tasks: Language Modeling, Language Modelling, Large Language Model

Getting large language models (LLMs) to perform well on the downstream tasks requires pre-training over trillions of tokens. This typically demands a large number of powerful computational devices in addition to a stable distributed training framework to accelerate the training. The growing number of applications leveraging AI/ML led to a scarcity of the expensive conventional accelerators (such as GPUs), which emphasizes the need for the alternative specialized-accelerators that are scalable and cost-efficient. AWS Trainium is the second-generation machine learning accelerator purposely built for training large deep learning models. However, training LLMs with billions of parameters on AWS Trainium is challenging due to its relatively nascent software ecosystem. In this paper, we showcase HLAT: a family of 7B and 70B decoder-only LLMs pre-trained using 4096 AWS Trainium accelerators over 1.8 trillion tokens. The performance of HLAT is benchmarked against popular open source models including LLaMA and OpenLLaMA, which have been trained on NVIDIA GPUs and Google TPUs, respectively. On various evaluation tasks, we show that HLAT achieves model quality on par with the baselines of similar model size. We also open-source all the training scripts and configurations of HLAT (https://github.com/awslabs/HLAT) and share the best practice of using the NeuronX Distributed Training (NxDT), a customized distributed training library for AWS Trainium. Our work demonstrates that AWS Trainium powered by NxDT is able to successfully pre-train state-of-the-art LLM models with high performance and cost-effectiveness.
Data-driven subgrouping of patient trajectories with chronic diseases: Evidence from low back pain
Authors: Christof Naumzik, Alice Kongsted, Werner Vach, Stefan Feuerriegel
Date: 2024-04-16 00:00:00
Tasks: Management

Clinical data informs the personalization of health care with a potential for more effective disease management. In practice, this is achieved by subgrouping, whereby clusters with similar patient characteristics are identified and then receive customized treatment plans with the goal of targeting subgroup-specific disease dynamics. In this paper, we propose a novel mixture hidden Markov model for subgrouping patient trajectories from chronic diseases. Our model is probabilistic and carefully designed to capture different trajectory phases of chronic diseases (i.e., "severe", "moderate", and "mild") through tailored latent states. We demonstrate our subgrouping framework based on a longitudinal study across 847 patients with non-specific low back pain. Here, our subgrouping framework identifies 8 subgroups. Further, we show that our subgrouping framework outperforms common baselines in terms of cluster validity indices. Finally, we discuss the applicability of the model to other chronic and long-lasting diseases.
HiGraphDTI: Hierarchical Graph Representation Learning for Drug-Target Interaction Prediction
Authors: Bin Liu, Siqi Wu, Jin Wang, Xin Deng, Ao Zhou
Date: 2024-04-16 00:00:00
Tasks: Graph Representation Learning, molecular representation, Representation Learning

The discovery of drug-target interactions (DTIs) plays a crucial role in pharmaceutical development. The deep learning model achieves more accurate results in DTI prediction due to its ability to extract robust and expressive features from drug and target chemical structures. However, existing deep learning methods typically generate drug features via aggregating molecular atom representations, ignoring the chemical properties carried by motifs, i.e., substructures of the molecular graph. The atom-drug double-level molecular representation learning can not fully exploit structure information and fails to interpret the DTI mechanism from the motif perspective. In addition, sequential model-based target feature extraction either fuses limited contextual information or requires expensive computational resources. To tackle the above issues, we propose a hierarchical graph representation learning-based DTI prediction method (HiGraphDTI). Specifically, HiGraphDTI learns hierarchical drug representations from triple-level molecular graphs to thoroughly exploit chemical information embedded in atoms, motifs, and molecules. Then, an attentional feature fusion module incorporates information from different receptive fields to extract expressive target features.Last, the hierarchical attention mechanism identifies crucial molecular segments, which offers complementary views for interpreting interaction mechanisms. The experiment results not only demonstrate the superiority of HiGraphDTI to the state-of-the-art methods, but also confirm the practical ability of our model in interaction interpretation and new DTI discovery.
Analytical Approximation of the ELBO Gradient in the Context of the Clutter Problem
Authors: Roumen Nikolaev Popov
Date: 2024-04-16 00:00:00
Tasks: Bayesian Inference, Variational Inference

We propose an analytical solution for approximating the gradient of the Evidence Lower Bound (ELBO) in variational inference problems where the statistical model is a Bayesian network consisting of observations drawn from a mixture of a Gaussian distribution embedded in unrelated clutter, known as the clutter problem. The method employs the reparameterization trick to move the gradient operator inside the expectation and relies on the assumption that, because the likelihood factorizes over the observed data, the variational distribution is generally more compactly supported than the Gaussian distribution in the likelihood factors. This allows efficient local approximation of the individual likelihood factors, which leads to an analytical solution for the integral defining the gradient expectation. We integrate the proposed gradient approximation as the expectation step in an EM (Expectation Maximization) algorithm for maximizing ELBO and test against classical deterministic approaches in Bayesian inference, such as the Laplace approximation, Expectation Propagation and Mean-Field Variational Inference. The proposed method demonstrates good accuracy and rate of convergence together with linear computational complexity.
A/B testing under Interference with Partial Network Information
Authors: Shiv Shankar, Ritwik Sinha, Yash Chandak, Saayan Mitra, Madalina Fiterau
Date: 2024-04-16 00:00:00

A/B tests are often required to be conducted on subjects that might have social connections. For e.g., experiments on social media, or medical and social interventions to control the spread of an epidemic. In such settings, the SUTVA assumption for randomized-controlled trials is violated due to network interference, or spill-over effects, as treatments to group A can potentially also affect the control group B. When the underlying social network is known exactly, prior works have demonstrated how to conduct A/B tests adequately to estimate the global average treatment effect (GATE). However, in practice, it is often impossible to obtain knowledge about the exact underlying network. In this paper, we present UNITE: a novel estimator that relax this assumption and can identify GATE while only relying on knowledge of the superset of neighbors for any subject in the graph. Through theoretical analysis and extensive experiments, we show that the proposed approach performs better in comparison to standard estimators.
Warm-Start Variational Quantum Policy Iteration
Authors: Nico Meyer, Jakob Murauer, Alexander Popov, Christian Ufrecht, Axel Plinge, Christopher Mutschler, Daniel D. Scherer
Date: 2024-04-16 00:00:00
Tasks: Decision Making, reinforcement-learning, Reinforcement Learning

Reinforcement learning is a powerful framework aiming to determine optimal behavior in highly complex decision-making scenarios. This objective can be achieved using policy iteration, which requires to solve a typically large linear system of equations. We propose the variational quantum policy iteration (VarQPI) algorithm, realizing this step with a NISQ-compatible quantum-enhanced subroutine. Its scalability is supported by an analysis of the structure of generic reinforcement learning environments, laying the foundation for potential quantum advantage with utility-scale quantum computers. Furthermore, we introduce the warm-start initialization variant (WS-VarQPI) that significantly reduces resource overhead. The algorithm solves a large FrozenLake environment with an underlying 256x256-dimensional linear system, indicating its practical robustness.
Four-hour thunderstorm nowcasting using deep diffusion models of satellite
Authors: Kuai Dai, Xutao Li, Junying Fang, Yunming Ye, Demin Yu, Di Xian, Danyu Qin, Jingsong Wang
Date: 2024-04-16 00:00:00

Convection (thunderstorm) develops rapidly within hours and is highly destructive, posing a significant challenge for nowcasting and resulting in substantial losses to nature and society. After the emergence of artificial intelligence (AI)-based methods, convection nowcasting has experienced rapid advancements, with its performance surpassing that of physics-based numerical weather prediction and other conventional approaches. However, the lead time and coverage of it still leave much to be desired and hardly meet the needs of disaster emergency response. Here, we propose deep diffusion models of satellite (DDMS) to establish an AI-based convection nowcasting system. On one hand, it employs diffusion processes to effectively simulate complicated spatiotemporal evolution patterns of convective clouds, significantly improving the forecast lead time. On the other hand, it utilizes geostationary satellite brightness temperature data, thereby achieving planetary-scale forecast coverage. During long-term tests and objective validation based on the FengYun-4A satellite, our system achieves, for the first time, effective convection nowcasting up to 4 hours, with broad coverage (about 20,000,000 km2), remarkable accuracy, and high resolution (15 minutes; 4 km). Its performance reaches a new height in convection nowcasting compared to the existing models. In terms of application, our system operates efficiently (forecasting 4 hours of convection in 8 minutes), and is highly transferable with the potential to collaborate with multiple satellites for global convection nowcasting. Furthermore, our results highlight the remarkable capabilities of diffusion models in convective clouds forecasting, as well as the significant value of geostationary satellite data when empowered by AI technologies.
BDAN: Mitigating Temporal Difference Across Electrodes in Cross-Subject Motor Imagery Classification via Generative Bridging Domain
Authors: Zhige Chen, Rui Yang, Mengjie Huang, Chengxuan Qin, Zidong Wang
Date: 2024-04-16 00:00:00
Tasks: Domain Adaptation, EEG, Motor Imagery

Because of "the non-repeatability of the experiment settings and conditions" and "the variability of brain patterns among subjects", the data distributions across sessions and electrodes are different in cross-subject motor imagery (MI) studies, eventually reducing the performance of the classification model. Systematically summarised based on the existing studies, a novel temporal-electrode data distribution problem is investigated under both intra-subject and inter-subject scenarios in this paper. Based on the presented issue, a novel bridging domain adaptation network (BDAN) is proposed, aiming to minimise the data distribution difference across sessions in the aspect of the electrode, thus improving and enhancing model performance. In the proposed BDAN, deep features of all the EEG data are extracted via a specially designed spatial feature extractor. With the obtained spatio-temporal features, a special generative bridging domain is established, bridging the data from all the subjects across sessions. The difference across sessions and electrodes is then minimized using the customized bridging loss functions, and the known knowledge is automatically transferred through the constructed bridging domain. To show the effectiveness of the proposed BDAN, comparison experiments and ablation studies are conducted on a public EEG dataset. The overall comparison results demonstrate the superior performance of the proposed BDAN compared with the other advanced deep learning and domain adaptation methods.
From Uncertainty to Trust: Kernel Dropout for AI-Powered Medical Predictions
Authors: Ubaid Azam, Imran Razzak, Shelly Vishwakarma, Hakim Hacid, Dell Zhang, Shoaib Jameel
Date: 2024-04-16 00:00:00
Tasks: Decision Making

AI-driven medical predictions with trustworthy confidence are essential for ensuring the responsible use of AI in healthcare applications. The growing capabilities of AI raise questions about their trustworthiness in healthcare, particularly due to opaque decision-making and limited data availability. This paper proposes a novel approach to address these challenges, introducing a Bayesian Monte Carlo Dropout model with kernel modelling. Our model is designed to enhance reliability on small medical datasets, a crucial barrier to the wider adoption of AI in healthcare. This model leverages existing language models for improved effectiveness and seamlessly integrates with current workflows. Extensive evaluations of public medical datasets showcase our model's superior performance across diverse tasks. We demonstrate significant improvements in reliability, even with limited data, offering a promising step towards building trust in AI-driven medical predictions and unlocking its potential to improve patient care.
BayesJudge: Bayesian Kernel Language Modelling with Confidence Uncertainty in Legal Judgment Prediction
Authors: Ubaid Azam, Imran Razzak, Shelly Vishwakarma, Hakim Hacid, Dell Zhang, Shoaib Jameel
Date: 2024-04-16 00:00:00
Tasks: Gaussian Processes, Language Modelling

Predicting legal judgments with reliable confidence is paramount for responsible legal AI applications. While transformer-based deep neural networks (DNNs) like BERT have demonstrated promise in legal tasks, accurately assessing their prediction confidence remains crucial. We present a novel Bayesian approach called BayesJudge that harnesses the synergy between deep learning and deep Gaussian Processes to quantify uncertainty through Bayesian kernel Monte Carlo dropout. Our method leverages informative priors and flexible data modelling via kernels, surpassing existing methods in both predictive accuracy and confidence estimation as indicated through brier score. Extensive evaluations of public legal datasets showcase our model's superior performance across diverse tasks. We also introduce an optimal solution to automate the scrutiny of unreliable predictions, resulting in a significant increase in the accuracy of the model's predictions by up to 27\%. By empowering judges and legal professionals with more reliable information, our work paves the way for trustworthy and transparent legal AI applications that facilitate informed decisions grounded in both knowledge and quantified uncertainty.
Machine Learning Based Optimization Workflow for Tuning Numerical Settings of Differential Equation Solvers for Boundary Value Problems
Authors: Viny Saajan Victor, Manuel Ettmüller, Andre Schmeißer, Heike Leitte, Simone Gramsch
Date: 2024-04-16 00:00:00

Several numerical differential equation solvers have been employed effectively over the years as an alternative to analytical solvers to quickly and conveniently solve differential equations. One category of these is boundary value solvers, which are used to solve real-world problems formulated as differential equations with boundary conditions. These solvers require certain numerical settings to solve the differential equations that affect their solvability and performance. A systematic fine-tuning of these settings is required to obtain the desired solution and performance. Currently, these settings are either selected by trial and error or require domain expertise. In this paper, we propose a machine learning-based optimization workflow for fine-tuning the numerical settings to reduce the time and domain expertise required in the process. In the evaluation section, we discuss the scalability, stability, and reliability of the proposed workflow. We demonstrate our workflow on a numerical boundary value problem solver.
Revealing data leakage in protein interaction benchmarks
Authors: Anton Bushuiev, Roman Bushuiev, Jiri Sedlar, Tomas Pluskal, Jiri Damborsky, Stanislav Mazurenko, Josef Sivic
Date: 2024-04-16 00:00:00
Tasks: Benchmarking

In recent years, there has been remarkable progress in machine learning for protein-protein interactions. However, prior work has predominantly focused on improving learning algorithms, with less attention paid to evaluation strategies and data preparation. Here, we demonstrate that further development of machine learning methods may be hindered by the quality of existing train-test splits. Specifically, we find that commonly used splitting strategies for protein complexes, based on protein sequence or metadata similarity, introduce major data leakage. This may result in overoptimistic evaluation of generalization, as well as unfair benchmarking of the models, biased towards assessing their overfitting capacity rather than practical utility. To overcome the data leakage, we recommend constructing data splits based on 3D structural similarity of protein-protein interfaces and suggest corresponding algorithms. We believe that addressing the data leakage problem is critical for further progress in this research area.
Graph Neural Networks for Protein-Protein Interactions - A Short Survey
Authors: Mingda Xu, Peisheng Qian, Ziyuan Zhao, Zeng Zeng, Jianguo Chen, Weide Liu, Xulei Yang
Date: 2024-04-16 00:00:00
Tasks: Graph Attention, Survey

Protein-protein interactions (PPIs) play key roles in a broad range of biological processes. Numerous strategies have been proposed for predicting PPIs, and among them, graph-based methods have demonstrated promising outcomes owing to the inherent graph structure of PPI networks. This paper reviews various graph-based methodologies, and discusses their applications in PPI prediction. We classify these approaches into two primary groups based on their model structures. The first category employs Graph Neural Networks (GNN) or Graph Convolutional Networks (GCN), while the second category utilizes Graph Attention Networks (GAT), Graph Auto-Encoders and Graph-BERT. We highlight the distinctive methodologies of each approach in managing the graph-structured data inherent in PPI networks and anticipate future research directions in this domain.