pwc-archive/papers-with-abstracts huggingface dataset:
Empirical Study of Overfitting in Deep FNN Prediction Models for Breast Cancer Metastasis
Authors: Chuhan Xu, Pablo Coen-Pirani, Xia Jiang
Date: 2022-08-03 00:00:00
Tasks: Prediction

Overfitting is defined as the fact that the current model fits a specific data set perfectly, resulting in weakened generalization, and ultimately may affect the accuracy in predicting future data. In this research we used an EHR dataset concerning breast cancer metastasis to study overfitting of deep feedforward Neural Networks (FNNs) prediction models. We included 11 hyperparameters of the deep FNNs models and took an empirical approach to study how each of these hyperparameters was affecting both the prediction performance and overfitting when given a large range of values. We also studied how some of the interesting pairs of hyperparameters were interacting to influence the model performance and overfitting. The 11 hyperparameters we studied include activate function; weight initializer, number of hidden layers, learning rate, momentum, decay, dropout rate, batch size, epochs, L1, and L2. Our results show that most of the single hyperparameters are either negatively or positively corrected with model prediction performance and overfitting. In particular, we found that overfitting overall tends to negatively correlate with learning rate, decay, batch sides, and L2, but tends to positively correlate with momentum, epochs, and L1. According to our results, learning rate, decay, and batch size may have a more significant impact on both overfitting and prediction performance than most of the other hyperparameters, including L1, L2, and dropout rate, which were designed for minimizing overfitting. We also find some interesting interacting pairs of hyperparameters such as learning rate and momentum, learning rate and decay, and batch size and epochs. Keywords: Deep learning, overfitting, prediction, grid search, feedforward neural networks, breast cancer metastasis.
KPI-BERT: A Joint Named Entity Recognition and Relation Extraction Model for Financial Reports
Authors: Lars Hillebrand, Tobias Deußer, Tim Dilmaghani, Bernd Kliem, Rüdiger Loitz, Christian Bauckhage, Rafet Sifa
Date: 2022-08-03 00:00:00
Tasks: named-entity-recognition, Named Entity Recognition, Named Entity Recognition (NER), NER, Relation, Relation Extraction, TAG

We present KPI-BERT, a system which employs novel methods of named entity recognition (NER) and relation extraction (RE) to extract and link key performance indicators (KPIs), e.g. "revenue" or "interest expenses", of companies from real-world German financial documents. Specifically, we introduce an end-to-end trainable architecture that is based on Bidirectional Encoder Representations from Transformers (BERT) combining a recurrent neural network (RNN) with conditional label masking to sequentially tag entities before it classifies their relations. Our model also introduces a learnable RNN-based pooling mechanism and incorporates domain expert knowledge by explicitly filtering impossible relations. We achieve a substantially higher prediction performance on a new practical dataset of German financial reports, outperforming several strong baselines including a competing state-of-the-art span-based entity tagging approach.
Detecting Multivariate Time Series Anomalies with Zero Known Label
Authors: Qihang Zhou, Jiming Chen, Haoyu Liu, Shibo He, Wenchao Meng
Date: 2022-08-03 00:00:00
Tasks: Anomaly Detection, Density Estimation, Graph structure learning, Time Series, Time Series Analysis, Time Series Anomaly Detection, Unsupervised Anomaly Detection

Multivariate time series anomaly detection has been extensively studied under the semi-supervised setting, where a training dataset with all normal instances is required. However, preparing such a dataset is very laborious since each single data instance should be fully guaranteed to be normal. It is, therefore, desired to explore multivariate time series anomaly detection methods based on the dataset without any label knowledge. In this paper, we propose MTGFlow, an unsupervised anomaly detection approach for multivariate time series anomaly detection via dynamic graph and entity-aware normalizing flow, leaning only on a widely accepted hypothesis that abnormal instances exhibit sparse densities than the normal. However, the complex interdependencies among entities and the diverse inherent characteristics of each entity pose significant challenges on the density estimation, let alone to detect anomalies based on the estimated possibility distribution. To tackle these problems, we propose to learn the mutual and dynamic relations among entities via a graph structure learning model, which helps to model accurate distribution of multivariate time series. Moreover, taking account of distinct characteristics of the individual entities, an entity-aware normalizing flow is developed to describe each entity into a parameterized normal distribution, thereby producing fine-grained density estimation. Incorporating these two strategies, MTGFlow achieves superior anomaly detection performance. Experiments on five public datasets with seven baselines are conducted, MTGFlow outperforms the SOTA methods by up to 5.0 AUROC\%. Codes will be released at https://github.com/zqhang/Detecting-Multivariate-Time-Series-Anomalies-with-Zero-Known-Label.
Active Learning on a Programmable Photonic Quantum Processor
Authors: Chen Ding, Xiao-Yue Xu, Yun-Fei Niu, Shuo Zhang, Wan-su Bao, He-Liang Huang
Date: 2022-08-03 00:00:00
Tasks: Active Learning, BIG-bench Machine Learning, Quantum Machine Learning

Training a quantum machine learning model generally requires a large labeled dataset, which incurs high labeling and computational costs. To reduce such costs, a selective training strategy, called active learning (AL), chooses only a subset of the original dataset to learn while maintaining the trained model's performance. Here, we design and implement two AL-enpowered variational quantum classifiers, to investigate the potential applications and effectiveness of AL in quantum machine learning. Firstly, we build a programmable free-space photonic quantum processor, which enables the programmed implementation of various hybrid quantum-classical computing algorithms. Then, we code the designed variational quantum classifier with AL into the quantum processor, and execute comparative tests for the classifiers with and without the AL strategy. The results validate the great advantage of AL in quantum machine learning, as it saves at most $85\%$ labeling efforts and $91.6\%$ percent computational efforts compared to the training without AL on a data classification task. Our results inspire AL's further applications in large-scale quantum machine learning to drastically reduce training data and speed up training, underpinning the exploration of practical quantum advantages in quantum physics or real-world applications.
A Novel Approach To Network Intrusion Detection System Using Deep Learning For Sdn: Futuristic Approach
Authors: Mhmood Radhi Hadi, Adnan Saher Mohammed
Date: 2022-08-03 00:00:00
Tasks: Binary Classification, Deep Learning, feature selection, Intrusion Detection, Network Intrusion Detection

Software-Defined Networking (SDN) is the next generation to change the architecture of traditional networks. SDN is one of the promising solutions to change the architecture of internet networks. Attacks become more common due to the centralized nature of SDN architecture. It is vital to provide security for the SDN. In this study, we propose a Network Intrusion Detection System-Deep Learning module (NIDS-DL) approach in the context of SDN. Our suggested method combines Network Intrusion Detection Systems (NIDS) with many types of deep learning algorithms. Our approach employs 12 features extracted from 41 features in the NSL-KDD dataset using a feature selection method. We employed classifiers (CNN, DNN, RNN, LSTM, and GRU). When we compare classifier scores, our technique produced accuracy results of (98.63%, 98.53%, 98.13%, 98.04%, and 97.78%) respectively. The novelty of our new approach (NIDS-DL) uses 5 deep learning classifiers and made pre-processing dataset to harvests the best results. Our proposed approach was successful in binary classification and detecting attacks, implying that our approach (NIDS-DL) might be used with great efficiency in the future.
Supervised and Reinforcement Learning from Observations in Reconnaissance Blind Chess
Authors: Timo Bertram, Johannes Fürnkranz, Martin Müller
Date: 2022-08-03 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

In this work, we adapt a training approach inspired by the original AlphaGo system to play the imperfect information game of Reconnaissance Blind Chess. Using only the observations instead of a full description of the game state, we first train a supervised agent on publicly available game records. Next, we increase the performance of the agent through self-play with the on-policy reinforcement learning algorithm Proximal Policy Optimization. We do not use any search to avoid problems caused by the partial observability of game states and only use the policy network to generate moves when playing. With this approach, we achieve an ELO of 1330 on the RBC leaderboard, which places our agent at position 27 at the time of this writing. We see that self-play significantly improves performance and that the agent plays acceptably well without search and without making assumptions about the true game state.
Neural Dynamic Movement Primitives -- a survey
Authors: Jože M Rožanec, Bojan Nemec
Date: 2022-08-03 00:00:00
Tasks: Survey

One of the most important challenges in robotics is producing accurate trajectories and controlling their dynamic parameters so that the robots can perform different tasks. The ability to provide such motion control is closely related to how such movements are encoded. Advances on deep learning have had a strong repercussion in the development of novel approaches for Dynamic Movement Primitives. In this work, we survey scientific literature related to Neural Dynamic Movement Primitives, to complement existing surveys on Dynamic Movement Primitives.
Coarse-to-Fine Knowledge-Enhanced Multi-Interest Learning Framework for Multi-Behavior Recommendation
Authors: Chang Meng, Ziqi Zhao, Wei Guo, Yingxue Zhang, Haolun Wu, Chen Gao, Dong Li, Xiu Li, Ruiming Tang
Date: 2022-08-03 00:00:00

Multi-types of behaviors (e.g., clicking, adding to cart, purchasing, etc.) widely exist in most real-world recommendation scenarios, which are beneficial to learn users' multi-faceted preferences. As dependencies are explicitly exhibited by the multiple types of behaviors, effectively modeling complex behavior dependencies is crucial for multi-behavior prediction. The state-of-the-art multi-behavior models learn behavior dependencies indistinguishably with all historical interactions as input. However, different behaviors may reflect different aspects of user preference, which means that some irrelevant interactions may play as noises to the target behavior to be predicted. To address the aforementioned limitations, we introduce multi-interest learning to the multi-behavior recommendation. More specifically, we propose a novel Coarse-to-fine Knowledge-enhanced Multi-interest Learning (CKML) framework to learn shared and behavior-specific interests for different behaviors. CKML introduces two advanced modules, namely Coarse-grained Interest Extracting (CIE) and Fine-grained Behavioral Correlation (FBC), which work jointly to capture fine-grained behavioral dependencies. CIE uses knowledge-aware information to extract initial representations of each interest. FBC incorporates a dynamic routing scheme to further assign each behavior among interests. Additionally, we use the self-attention mechanism to correlate different behavioral information at the interest level. Empirical results on three real-world datasets verify the effectiveness and efficiency of our model in exploiting multi-behavior data. Further experiments demonstrate the effectiveness of each module and the robustness and superiority of the shared and specific modelling paradigm for multi-behavior data.
Deep Reinforcement Learning for Multi-Agent Interaction
Authors: Ibrahim H. Ahmed, Cillian Brewitt, Ignacio Carlucho, Filippos Christianos, Mhairi Dunion, Elliot Fosong, Samuel Garcin, Shangmin Guo, Balint Gyevnar, Trevor McInroe, Georgios Papoudakis, Arrasy Rahman, Lukas Schäfer, Massimiliano Tamborski, Giuseppe Vecchio, Cheng Wang, Stefano V. Albrecht
Date: 2022-08-02 00:00:00
Tasks: BIG-bench Machine Learning, Causal Inference, Deep Reinforcement Learning, Multi-agent Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Representation Learning

The development of autonomous agents which can interact with other agents to accomplish a given task is a core area of research in artificial intelligence and machine learning. Towards this goal, the Autonomous Agents Research Group develops novel machine learning algorithms for autonomous systems control, with a specific focus on deep reinforcement learning and multi-agent reinforcement learning. Research problems include scalable learning of coordinated agent policies and inter-agent communication; reasoning about the behaviours, goals, and composition of other agents from limited observations; and sample-efficient learning based on intrinsic motivation, curriculum learning, causal inference, and representation learning. This article provides a broad overview of the ongoing research portfolio of the group and discusses open problems for future directions.
Autonomous Agriculture Robot for Smart Farming
Authors: Vinay Ummadi, Aravind Gundlapalle, Althaf Shaik, Shaik Mohammad Rafi B
Date: 2022-08-02 00:00:00

This project aims to develop and demonstrate a ground robot with intelligence capable of conducting semi-autonomous farm operations for different low-heights vegetable crops referred as Agriculture Application Robot(AAR). AAR is a lightweight, solar-electric powered robot that uses intelligent perception for conducting detection and classification of plants and their characteristics. The system also has a robotic arm for the autonomous weed cutting process. The robot can deliver fertilizer spraying, insecticide, herbicide, and other fluids to the targets such as crops, weeds, and other pests. Besides, it provides information for future research into higher-level tasks such as yield estimation, crop, and soil health monitoring. We present the design of robot and the associated experiments which show the promising results in real world environments.
CAPD: A Context-Aware, Policy-Driven Framework for Secure and Resilient IoBT Operations
Authors: Sai Sree Laya Chukkapalli, Anupam Joshi, Tim Finin, Robert F. Erbacher
Date: 2022-08-02 00:00:00
Tasks: Attribute, Knowledge Graphs

The Internet of Battlefield Things (IoBT) will advance the operational effectiveness of infantry units. However, this requires autonomous assets such as sensors, drones, combat equipment, and uncrewed vehicles to collaborate, securely share information, and be resilient to adversary attacks in contested multi-domain operations. CAPD addresses this problem by providing a context-aware, policy-driven framework supporting data and knowledge exchange among autonomous entities in a battlespace. We propose an IoBT ontology that facilitates controlled information sharing to enable semantic interoperability between systems. Its key contributions include providing a knowledge graph with a shared semantic schema, integration with background knowledge, efficient mechanisms for enforcing data consistency and drawing inferences, and supporting attribute-based access control. The sensors in the IoBT provide data that create populated knowledge graphs based on the ontology. This paper describes using CAPD to detect and mitigate adversary actions. CAPD enables situational awareness using reasoning over the sensed data and SPARQL queries. For example, adversaries can cause sensor failure or hijacking and disrupt the tactical networks to degrade video surveillance. In such instances, CAPD uses an ontology-based reasoner to see how alternative approaches can still support the mission. Depending on bandwidth availability, the reasoner initiates the creation of a reduced frame rate grayscale video by active transcoding or transmits only still images. This ability to reason over the mission sensed environment and attack context permits the autonomous IoBT system to exhibit resilience in contested conditions.
Recognizing and Extracting Cybersecurtity-relevant Entities from Text
Authors: Casey Hanks, Michael Maiden, Priyanka Ranade, Tim Finin, Anupam Joshi
Date: 2022-08-02 00:00:00
Tasks: Entity Linking, Knowledge Graphs, Self-Learning, World Knowledge

Cyber Threat Intelligence (CTI) is information describing threat vectors, vulnerabilities, and attacks and is often used as training data for AI-based cyber defense systems such as Cybersecurity Knowledge Graphs (CKG). There is a strong need to develop community-accessible datasets to train existing AI-based cybersecurity pipelines to efficiently and accurately extract meaningful insights from CTI. We have created an initial unstructured CTI corpus from a variety of open sources that we are using to train and test cybersecurity entity models using the spaCy framework and exploring self-learning methods to automatically recognize cybersecurity entities. We also describe methods to apply cybersecurity domain entity linking with existing world knowledge from Wikidata. Our future work will survey and test spaCy NLP tools and create methods for continuous integration of new information extracted from text.
A cloud platform for automating and sharing analysis of raw simulation data from high throughput polymer molecular dynamics simulations
Authors: Tian Xie, Ha-Kyung Kwon, Daniel Schweigert, Sheng Gong, Arthur France-Lanord, Arash Khajeh, Emily Crabb, Michael Puzon, Chris Fajardo, Will Powelson, Yang Shao-Horn, Jeffrey C. Grossman
Date: 2022-08-02 00:00:00

Open material databases storing hundreds of thousands of material structures and their corresponding properties have become the cornerstone of modern computational materials science. Yet, the raw outputs of the simulations, such as the trajectories from molecular dynamics simulations and charge densities from density functional theory calculations, are generally not shared due to their huge size. In this work, we describe a cloud-based platform to facilitate the sharing of raw data and enable the fast post-processing in the cloud to extract new properties defined by the user. As an initial demonstration, our database currently includes 6286 molecular dynamics trajectories for amorphous polymer electrolytes and 5.7 terabytes of data. We create a public analysis library at https://github.com/TRI-AMDD/htp_md to extract multiple properties from the raw data, using both expert designed functions and machine learning models. The analysis is run automatically with computation in the cloud, and results then populate a database that can be accessed publicly. Our platform encourages users to contribute both new trajectory data and analysis functions via public interfaces. Newly analyzed properties will be incorporated into the database. Finally, we create a front-end user interface at https://www.htpmd.matr.io for browsing and visualization of our data. We envision the platform to be a new way of sharing raw data and new insights for the computational materials science community.
Curvature-informed multi-task learning for graph networks
Authors: Alexander New, Michael J. Pekala, Nam Q. Le, Janna Domenico, Christine D. Piatko, Christopher D. Stiles
Date: 2022-08-02 00:00:00
Tasks: Band Gap, Multi-Task Learning

Properties of interest for crystals and molecules, such as band gap, elasticity, and solubility, are generally related to each other: they are governed by the same underlying laws of physics. However, when state-of-the-art graph neural networks attempt to predict multiple properties simultaneously (the multi-task learning (MTL) setting), they frequently underperform a suite of single property predictors. This suggests graph networks may not be fully leveraging these underlying similarities. Here we investigate a potential explanation for this phenomenon: the curvature of each property's loss surface significantly varies, leading to inefficient learning. This difference in curvature can be assessed by looking at spectral properties of the Hessians of each property's loss function, which is done in a matrix-free manner via randomized numerical linear algebra. We evaluate our hypothesis on two benchmark datasets (Materials Project (MP) and QM8) and consider how these findings can inform the training of novel multi-task learning models.
Heterogeneous-Agent Mirror Learning: A Continuum of Solutions to Cooperative MARL
Authors: Jakub Grudzien Kuba, Xidong Feng, Shiyao Ding, Hao Dong, Jun Wang, Yaodong Yang
Date: 2022-08-02 00:00:00
Tasks: MuJoCo, Multi-agent Reinforcement Learning

The necessity for cooperation among intelligent machines has popularised cooperative multi-agent reinforcement learning (MARL) in the artificial intelligence (AI) research community. However, many research endeavors have been focused on developing practical MARL algorithms whose effectiveness has been studied only empirically, thereby lacking theoretical guarantees. As recent studies have revealed, MARL methods often achieve performance that is unstable in terms of reward monotonicity or suboptimal at convergence. To resolve these issues, in this paper, we introduce a novel framework named Heterogeneous-Agent Mirror Learning (HAML) that provides a general template for MARL algorithmic designs. We prove that algorithms derived from the HAML template satisfy the desired properties of the monotonic improvement of the joint reward and the convergence to Nash equilibrium. We verify the practicality of HAML by proving that the current state-of-the-art cooperative MARL algorithms, HATRPO and HAPPO, are in fact HAML instances. Next, as a natural outcome of our theory, we propose HAML extensions of two well-known RL algorithms, HAA2C (for A2C) and HADDPG (for DDPG), and demonstrate their effectiveness against strong baselines on StarCraftII and Multi-Agent MuJoCo tasks.
Maximal Independent Vertex Set applied to Graph Pooling
Authors: Stevan Stanovic, Benoit Gaüzère, Luc Brun
Date: 2022-08-02 00:00:00
Tasks: Graph Classification, image-classification, Image Classification

Convolutional neural networks (CNN) have enabled major advances in image classification through convolution and pooling. In particular, image pooling transforms a connected discrete grid into a reduced grid with the same connectivity and allows reduction functions to take into account all the pixels of an image. However, a pooling satisfying such properties does not exist for graphs. Indeed, some methods are based on a vertex selection step which induces an important loss of information. Other methods learn a fuzzy clustering of vertex sets which induces almost complete reduced graphs. We propose to overcome both problems using a new pooling method, named MIVSPool. This method is based on a selection of vertices called surviving vertices using a Maximal Independent Vertex Set (MIVS) and an assignment of the remaining vertices to the survivors. Consequently, our method does not discard any vertex information nor artificially increase the density of the graph. Experimental results show an increase in accuracy for graph classification on various standard datasets.