pwc-archive/papers-with-abstracts huggingface dataset:
SynKB: Semantic Search for Synthetic Procedures
Authors: Fan Bai, Alan Ritter, Peter Madrid, Dayne Freitag, John Niekrasz
Date: 2022-08-15 00:00:00

In this paper we present SynKB, an open-source, automatically extracted knowledge base of chemical synthesis protocols. Similar to proprietary chemistry databases such as Reaxsys, SynKB allows chemists to retrieve structured knowledge about synthetic procedures. By taking advantage of recent advances in natural language processing for procedural texts, SynKB supports more flexible queries about reaction conditions, and thus has the potential to help chemists search the literature for conditions used in relevant reactions as they design new synthetic routes. Using customized Transformer models to automatically extract information from 6 million synthesis procedures described in U.S. and EU patents, we show that for many queries, SynKB has higher recall than Reaxsys, while maintaining high precision. We plan to make SynKB available as an open-source tool; in contrast, proprietary chemistry databases require costly subscriptions.
Reproduction and Replication of an Adversarial Stylometry Experiment
Authors: Haining Wang, Patrick Juola, Allen Riddell
Date: 2022-08-15 00:00:00
Tasks: Authorship Attribution, Translation

Maintaining anonymity while communicating using natural language remains a challenge. Standard authorship attribution techniques that analyze candidate authors' writing styles achieve uncomfortably high accuracy even when the number of candidate authors is high. Adversarial stylometry defends against authorship attribution with the goal of preventing unwanted deanonymization. This paper reproduces and replicates experiments in a seminal study of defenses against authorship attribution (Brennan et al., 2012). We are able to successfully reproduce and replicate the original results, although we conclude that the effectiveness of the defenses studied is overstated due to a lack of a control group in the original study. In our replication, we find new evidence suggesting that an entirely automatic method, round-trip translation, merits re-examination as it appears to reduce the effectiveness of established authorship attribution methods.
Designing an Artificial Immune System inspired Intrusion Detection System
Authors: William Anderson, Kaneesha Moore, Jesse Ables, Sudip Mittal, Shahram Rahimi, Ioana Banicescu, Maria Seale
Date: 2022-08-16 00:00:00
Tasks: Intrusion Detection

The Human Immune System (HIS) works to protect a body from infection, illness, and disease. This system can inspire cybersecurity professionals to design an Artificial Immune System (AIS) based Intrusion Detection System (IDS). These biologically inspired algorithms using Self/Nonself and Danger Theory can directly augmentIDS designs and implementations. In this paper, we include an examination into the elements of design necessary for building an AIS-IDS framework and present an architecture to create such systems.
Combinatorial optimization solving by coherent Ising machines based on spiking neural networks
Authors: Bo Lu, Yong-Pan Gao, Kai Wen, Chuan Wang
Date: 2022-08-16 00:00:00
Tasks: Combinatorial Optimization

Spiking neural network is a kind of neuromorphic computing that is believed to improve the level of intelligence and provide advantages for quantum computing. In this work, we address this issue by designing an optical spiking neural network and find that it can be used to accelerate the speed of computation, especially on combinatorial optimization problems. Here the spiking neural network is constructed by the antisymmetrically coupled degenerate optical parametric oscillator pulses and dissipative pulses. A nonlinear transfer function is chosen to mitigate amplitude inhomogeneities and destabilize the resulting local minima according to the dynamical behavior of spiking neurons. It is numerically shown that the spiking neural network-coherent Ising machines have excellent performance on combinatorial optimization problems, which is expected to offer new applications for neural computing and optical computing.
Encoding Integers and Rationals on Neuromorphic Computers using Virtual Neuron
Authors: Prasanna Date, Shruti Kulkarni, Aaron Young, Catherine Schuman, Thomas Potok, Jeffrey Vetter
Date: 2022-08-15 00:00:00

Neuromorphic computers perform computations by emulating the human brain, and use extremely low power. They are expected to be indispensable for energy-efficient computing in the future. While they are primarily used in spiking neural network-based machine learning applications, neuromorphic computers are known to be Turing-complete, and thus, capable of general-purpose computation. However, to fully realize their potential for general-purpose, energy-efficient computing, it is important to devise efficient mechanisms for encoding numbers. Current encoding approaches have limited applicability and may not be suitable for general-purpose computation. In this paper, we present the virtual neuron as an encoding mechanism for integers and rational numbers. We evaluate the performance of the virtual neuron on physical and simulated neuromorphic hardware and show that it can perform an addition operation using 23 nJ of energy on average using a mixed-signal memristor-based neuromorphic processor. We also demonstrate its utility by using it in some of the mu-recursive functions, which are the building blocks of general-purpose computation.
Rapid Discovery of Graphene Nanocrystals Using DFT and Bayesian Optimization with Neural Network Kernel
Authors: Şener Özönder, H. Kübra Küçükkartal
Date: 2022-08-16 00:00:00
Tasks: Bayesian Optimization

Density functional theory (DFT) is a powerful computational method used to obtain physical and chemical properties of materials. In the materials discovery framework, it is often necessary to virtually screen a large and high-dimensional chemical space to find materials with desired properties. However, grid searching a large chemical space with DFT is inefficient due to its high computational cost. We propose an approach utilizing Bayesian optimization (BO) with an artificial neural network kernel to enable smart search. This method leverages the BO algorithm, where the neural network, trained on a limited number of DFT results, determines the most promising regions of the chemical space to explore in subsequent iterations. This approach aims to discover materials with target properties while minimizing the number of DFT calculations required. To demonstrate the effectiveness of this method, we investigated 63 doped graphene quantum dots (GQDs) with sizes ranging from 1 to 2 nm to find the structure with the highest light absorbance. Using time-dependent DFT (TDDFT) only 12 times, we achieved a significant reduction in computational cost, approximately 20% of what would be required for a full grid search, by employing the BO algorithm with a neural network kernel. Considering that TDDFT calculations for a single GQD require about half a day of wall time on high-performance computing nodes, this reduction is substantial. Our approach can be generalized to the discovery of new drugs, chemicals, crystals, and alloys with high-dimensional and large chemical spaces, offering a scalable solution for various applications in materials science.
Neural Networks for Extreme Quantile Regression with an Application to Forecasting of Flood Risk
Authors: Olivier C. Pasche, Sebastian Engelke
Date: 2022-08-16 00:00:00
Tasks: quantile regression, regression, Time Series, Time Series Analysis

Risk assessment for extreme events requires accurate estimation of high quantiles that go beyond the range of historical observations. When the risk depends on the values of observed predictors, regression techniques are used to interpolate in the predictor space. We propose the EQRN model that combines tools from neural networks and extreme value theory into a method capable of extrapolation in the presence of complex predictor dependence. Neural networks can naturally incorporate additional structure in the data. We develop a recurrent version of EQRN that is able to capture complex sequential dependence in time series. We apply this method to forecast flood risk in the Swiss Aare catchment. It exploits information from multiple covariates in space and time to provide one-day-ahead predictions of return levels and exceedance probabilities. This output complements the static return level from a traditional extreme value analysis, and the predictions are able to adapt to distributional shifts as experienced in a changing climate. Our model can help authorities to manage flooding more effectively and to minimize their disastrous impacts through early warning systems.
Higher-order accurate two-sample network inference and network hashing
Authors: Meijia Shao, Dong Xia, Yuan Zhang, Qiong Wu, Shuo Chen
Date: 2022-08-16 00:00:00
Tasks: Vocal Bursts Valence Prediction

Two-sample hypothesis testing for network comparison presents many significant challenges, including: leveraging repeated network observations and known node registration, but without requiring them to operate; relaxing strong structural assumptions; achieving finite-sample higher-order accuracy; handling different network sizes and sparsity levels; fast computation and memory parsimony; controlling false discovery rate (FDR) in multiple testing; and theoretical understandings, particularly regarding finite-sample accuracy and minimax optimality. In this paper, we develop a comprehensive toolbox, featuring a novel main method and its variants, all accompanied by strong theoretical guarantees, to address these challenges. Our method outperforms existing tools in speed and accuracy, and it is proved power-optimal. Our algorithms are user-friendly and versatile in handling various data structures (single or repeated network observations; known or unknown node registration). We also develop an innovative framework for offline hashing and fast querying as a very useful tool for large network databases. We showcase the effectiveness of our method through comprehensive simulations and applications to two real-world datasets, which revealed intriguing new structures.
A User-Centered Investigation of Personal Music Tours
Authors: Giovanni Gabbolini, Derek Bridge
Date: 2022-08-16 00:00:00
Tasks: Diversity, Recommendation Systems

Streaming services use recommender systems to surface the right music to users. Playlists are a popular way to present music in a list-like fashion, ie as a plain list of songs. An alternative are tours, where the songs alternate segues, which explain the connections between consecutive songs. Tours address the user need of seeking background information about songs, and are found to be superior to playlists, given the right user context. In this work, we provide, for the first time, a user-centered evaluation of two tour-generation algorithms (Greedy and Optimal) using semi-structured interviews. We assess the algorithms, we discuss attributes of the tours that the algorithms produce, we identify which attributes are desirable and which are not, and we enumerate several possible improvements to the algorithms, along with practical suggestions on how to implement the improvements. Our main findings are that Greedy generates more likeable tours than Optimal, and that three important attributes of tours are segue diversity, song arrangement and song familiarity. More generally, we provide insights into how to present music to users, which could inform the design of user-centered recommender systems.
Steps to Knowledge Graphs Quality Assessment
Authors: Elwin Huaman
Date: 2022-08-16 00:00:00
Tasks: Knowledge Graphs, Question Answering

Knowledge Graphs (KGs) have been popularized during the last decade, for instance, they are used widely in the context of the web. In 2012 Google has presented the Google's Knowledge Graph that is used to improve their web search services. The web also hosts different KGs, such as DBpedia and Wikidata, which are used in various applications like personal assistants and question-answering systems. Various web applications rely on KGs to provide concise, complete, accurate, and fresh answer to users. However, what is the quality of those KGs? In which cases should a Knowledge Graph (KG) be used? How might they be evaluated? We reviewed the literature on quality assessment of data, information, linked data, and KGs. We extended the current state-of-the-art frameworks by adding various quality dimensions (QDs) and quality metrics (QMs) that are specific to KGs. Furthermore, we propose a general-purpose, customizable to a domain or task, and practical quality assessment framework for assessing the quality of KGs.
Approximated Doubly Robust Search Relevance Estimation
Authors: Lixin Zou, Changying Hao, Hengyi Cai, Suqi Cheng, Shuaiqiang Wang, Wenwen Ye, Zhicong Cheng, Simiu Gu, Dawei Yin
Date: 2022-08-16 00:00:00
Tasks: counterfactual

Extracting query-document relevance from the sparse, biased clickthrough log is among the most fundamental tasks in the web search system. Prior art mainly learns a relevance judgment model with semantic features of the query and document and ignores directly counterfactual relevance evaluation from the clicking log. Though the learned semantic matching models can provide relevance signals for tail queries as long as the semantic feature is available. However, such a paradigm lacks the capability to introspectively adjust the biased relevance estimation whenever it conflicts with massive implicit user feedback. The counterfactual evaluation methods, on the contrary, ensure unbiased relevance estimation with sufficient click information. However, they suffer from the sparse or even missing clicks caused by the long-tailed query distribution. In this paper, we propose to unify the counterfactual evaluating and learning approaches for unbiased relevance estimation on search queries with various popularities. Specifically, we theoretically develop a doubly robust estimator with low bias and variance, which intentionally combines the benefits of existing relevance evaluating and learning approaches. We further instantiate the proposed unbiased relevance estimation framework in Baidu search, with comprehensive practical solutions designed regarding the data pipeline for click behavior tracking and online relevance estimation with an approximated deep neural network. Finally, we present extensive empirical evaluations to verify the effectiveness of our proposed framework, finding that it is robust in practice and manages to improve online ranking performance substantially.
Reinforcement Learning to Rank with Coarse-grained Labels
Authors: Zhichao Xu, Anh Tran, Tao Yang, Qingyao Ai
Date: 2022-08-16 00:00:00
Tasks: Information Retrieval, Learning-To-Rank, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Retrieval

Ranking lies at the core of many Information Retrieval (IR) tasks. While existing research on Learning to Rank (LTR) using Deep Neural Network (DNN) has achieved great success, it is somewhat limited because of its dependence on fine-grained labels. In practice, fine-grained labels are often expensive to acquire, i.e. explicit relevance judgements, or suffer from biases, i.e. click logs. Compared to fine-grained labels, coarse-grained labels are easier and cheaper to collect. Some recent works propose utilizing only coarse-grained labels for LTR tasks. A most representative line of work introduces Reinforcement Learning (RL) algorithms. RL can help train the LTR model with little reliance on fine-grained labels compared to Supervised Learning. To study the effectiveness of the RL-based LTR algorithm on coarse-grained labels, in this paper, we implement four different RL paradigms and conduct extensive experiments on two well-established LTR datasets. The results on simulated coarse-grained labeled dataset show that while using coarse-grained labels to train an RL model for LTR tasks still can not outperform traditional approaches using fine-grained labels, it still achieve somewhat promising results and is potentially helpful for future research in LTR. Our code implementations will be released after this work is accepted.
FeedLens: Polymorphic Lenses for Personalizing Exploratory Search over Knowledge Graphs
Authors: Harmanpreet Kaur, Doug Downey, Amanpreet Singh, Evie Yu-Yen Cheng, Daniel S. Weld, Jonathan Bragg
Date: 2022-08-16 00:00:00
Tasks: Knowledge Graphs

The vast scale and open-ended nature of knowledge graphs (KGs) make exploratory search over them cognitively demanding for users. We introduce a new technique, polymorphic lenses, that improves exploratory search over a KG by obtaining new leverage from the existing preference models that KG-based systems maintain for recommending content. The approach is based on a simple but powerful observation: in a KG, preference models can be re-targeted to recommend not only entities of a single base entity type (e.g., papers in the scientific literature KG, products in an e-commerce KG), but also all other types (e.g., authors, conferences, institutions; sellers, buyers). We implement our technique in a novel system, FeedLens, which is built over Semantic Scholar, a production system for navigating the scientific literature KG. FeedLens reuses the existing preference models on Semantic Scholar -- people's curated research feeds -- as lenses for exploratory search. Semantic Scholar users can curate multiple feeds/lenses for different topics of interest, e.g., one for human-centered AI and another for document embeddings. Although these lenses are defined in terms of papers, FeedLens re-purposes them to also guide search over authors, institutions, venues, etc. Our system design is based on feedback from intended users via two pilot surveys (n=17 and n=13, respectively). We compare FeedLens and Semantic Scholar via a third (within-subjects) user study (n=15) and find that FeedLens increases user engagement while reducing the cognitive effort required to complete a short literature review task. Our qualitative results also highlight people's preference for this more effective exploratory search experience enabled by FeedLens.
Scalable Quantum Neural Networks for Classification
Authors: Jindi Wu, Zeyi Tao, Qun Li
Date: 2022-08-04 00:00:00
Tasks: Binary Classification, General Classification, Quantum Machine Learning

Many recent machine learning tasks resort to quantum computing to improve classification accuracy and training efficiency by taking advantage of quantum mechanics, known as quantum machine learning (QML). The variational quantum circuit (VQC) is frequently utilized to build a quantum neural network (QNN), which is a counterpart to the conventional neural network. Due to hardware limitations, however, current quantum devices only allow one to use few qubits to represent data and perform simple quantum computations. The limited quantum resource on a single quantum device degrades the data usage and limits the scale of the quantum circuits, preventing quantum advantage to some extent. To alleviate this constraint, we propose an approach to implementing a scalable quantum neural network (SQNN) by utilizing the quantum resource of multiple small-size quantum devices cooperatively. In an SQNN system, several quantum devices are used as quantum feature extractors, extracting local features from an input instance in parallel, and a quantum device works as a quantum predictor, performing prediction over the local features collected through classical communication channels. The quantum feature extractors in the SQNN system are independent of each other, so one can flexibly use quantum devices of varying sizes, with larger quantum devices extracting more local features. Especially, the SQNN can be performed on a single quantum device in a modular fashion. Our work is exploratory and carried out on a quantum system simulator using the TensorFlow Quantum library. The evaluation conducts a binary classification on the MNIST dataset. It shows that the SQNN model achieves a comparable classification accuracy to a regular QNN model of the same scale. Furthermore, it demonstrates that the SQNN model with more quantum resources can significantly improve classification accuracy.
C3-DINO: Joint Contrastive and Non-contrastive Self-Supervised Learning for Speaker Verification
Authors: Chunlei Zhang, Dong Yu
Date: 2022-08-15 00:00:00
Tasks: Contrastive Learning, Self-Supervised Learning, Speaker Verification

Self-supervised learning (SSL) has drawn an increased attention in the field of speech processing. Recent studies have demonstrated that contrastive learning is able to learn discriminative speaker embeddings in a self-supervised manner. However, base contrastive self-supervised learning (CSSL) assumes that the pairs generated from a view of anchor instance and any view of other instances are all negative, which introduces many false negative pairs in constructing the loss function. The problem is referred as $class$-$collision$, which remains as one major issue that impedes the CSSL based speaker verification (SV) systems from achieving better performances. In the meanwhile, studies reveal that negative sample free SSL frameworks perform well in learning speaker or image representations. In this study, we investigate SSL techniques that lead to an improved SV performance. We first analyse the impact of false negative pairs in the CSSL systems. Then, a multi-stage Class-Collision Correction (C3) method is proposed, which leads to the state-of-the-art CSSL based speaker embedding system. On the basis of the pretrained CSSL model, we further propose to employ a negative sample free SSL objective (i.e., DINO) to fine-tune the speaker embedding network. The resulting speaker embedding system (C3-DINO) achieves 2.5% EER with a simple Cosine Distance Scoring method on Voxceleb1 test set, which outperforms the previous SOTA SSL system (4.86%) by a significant +45% relative improvement. With speaker clustering and pseudo labeling on Voxceleb2 training set, a LDA/CDS back-end applying on the C3-DINO speaker embeddings is able to further push the EER to 2.2%. Comprehensive experimental investigations of the Voxceleb benchmarks and our internal dataset demonstrate the effectiveness of our proposed methods, and the performance gap between the SSL SV and the supervised counterpart narrows further.
A Large-Scale Dataset of Twitter Chatter about Online Learning during the Current COVID-19 Omicron Wave
Authors: Nirmalya Thakur
Date: 2022-07-20 00:00:00
Tasks: Management

The COVID-19 Omicron variant, reported to be the most immune evasive variant of COVID-19, is resulting in a surge of COVID-19 cases globally. This has caused schools, colleges, and universities in different parts of the world to transition to online learning. As a result, social media platforms such as Twitter are seeing an increase in conversations related to online learning in the form of tweets. Mining such tweets to develop a dataset can serve as a data resource for different applications and use-cases related to the analysis of interest, views, opinions, perspectives, attitudes, and feedback towards online learning during the current surge of COVID-19 cases caused by the Omicron variant. Therefore, this work presents a large-scale open-access Twitter dataset of conversations about online learning from different parts of the world since the first detected case of the COVID-19 Omicron variant in November 2021. The dataset is compliant with the privacy policy, developer agreement, and guidelines for content redistribution of Twitter, as well as with the FAIR principles (Findability, Accessibility, Interoperability, and Reusability) principles for scientific data management. The paper also briefly outlines some potential applications in the fields of Big Data, Data Mining, Natural Language Processing, and their related disciplines, with a specific focus on online learning during this Omicron wave that may be studied, explored, and investigated by using this dataset.