pwc-archive/papers-with-abstracts huggingface dataset:
Benchmarking missing-values approaches for predictive models on health databases
Authors: Alexandre Perez-Lebel, Gaël Varoquaux, Marine Le Morvan, Julie Josse, Jean-Baptiste Poline
Date: 2022-02-17 00:00:00
Tasks: Attribute, Benchmarking, Imputation, Missing Values

BACKGROUND: As databases grow larger, it becomes harder to fully control their collection, and they frequently come with missing values: incomplete observations. These large databases are well suited to train machine-learning models, for instance for forecasting or to extract biomarkers in biomedical settings. Such predictive approaches can use discriminative -- rather than generative -- modeling, and thus open the door to new missing-values strategies. Yet existing empirical evaluations of strategies to handle missing values have focused on inferential statistics. RESULTS: Here we conduct a systematic benchmark of missing-values strategies in predictive models with a focus on large health databases: four electronic health record datasets, a population brain imaging one, a health survey and two intensive care ones. Using gradient-boosted trees, we compare native support for missing values with simple and state-of-the-art imputation prior to learning. We investigate prediction accuracy and computational time. For prediction after imputation, we find that adding an indicator to express which values have been imputed is important, suggesting that the data are missing not at random. Elaborate missing values imputation can improve prediction compared to simple strategies but requires longer computational time on large data. Learning trees that model missing values-with missing incorporated attribute-leads to robust, fast, and well-performing predictive modeling. CONCLUSIONS: Native support for missing values in supervised machine learning predicts better than state-of-the-art imputation with much less computational cost. When using imputation, it is important to add indicator columns expressing which values have been imputed.
Unleashing the Power of Transformer for Graphs
Authors: Lingbing Guo, Qiang Zhang, Huajun Chen
Date: 2022-02-18 00:00:00
Tasks: Knowledge Graphs

Despite recent successes in natural language processing and computer vision, Transformer suffers from the scalability problem when dealing with graphs. The computational complexity is unacceptable for large-scale graphs, e.g., knowledge graphs. One solution is to consider only the near neighbors, which, however, will lose the key merit of Transformer to attend to the elements at any distance. In this paper, we propose a new Transformer architecture, named dual-encoding Transformer (DET). DET has a structural encoder to aggregate information from connected neighbors and a semantic encoder to focus on semantically useful distant nodes. In comparison with resorting to multi-hop neighbors, DET seeks the desired distant neighbors via self-supervised training. We further find these two encoders can be incorporated to boost each others' performance. Our experiments demonstrate DET has achieved superior performance compared to the respective state-of-the-art methods in dealing with molecules, networks and knowledge graphs with various sizes.
Debiasing Backdoor Attack: A Benign Application of Backdoor Attack in Eliminating Data Bias
Authors: Shangxi Wu, Qiuyang He, Yi Zhang, Jitao Sang
Date: 2022-02-18 00:00:00
Tasks: Adversarial Attack, Backdoor Attack

Backdoor attack is a new AI security risk that has emerged in recent years. Drawing on the previous research of adversarial attack, we argue that the backdoor attack has the potential to tap into the model learning process and improve model performance. Based on Clean Accuracy Drop (CAD) in backdoor attack, we found that CAD came out of the effect of pseudo-deletion of data. We provided a preliminary explanation of this phenomenon from the perspective of model classification boundaries and observed that this pseudo-deletion had advantages over direct deletion in the data debiasing problem. Based on the above findings, we proposed Debiasing Backdoor Attack (DBA). It achieves SOTA in the debiasing task and has a broader application scenario than undersampling.
MineRL Diamond 2021 Competition: Overview, Results, and Lessons Learned
Authors: Anssi Kanervisto, Stephanie Milani, Karolis Ramanauskas, Nicholay Topin, Zichuan Lin, Junyou Li, Jianing Shi, Deheng Ye, Qiang Fu, Wei Yang, Weijun Hong, Zhongyue Huang, Haicheng Chen, Guangjun Zeng, Yue Lin, Vincent Micheli, Eloi Alonso, François Fleuret, Alexander Nikulin, Yury Belousov, Oleg Svidchenko, Aleksei Shpilman
Date: 2022-02-17 00:00:00

Reinforcement learning competitions advance the field by providing appropriate scope and support to develop solutions toward a specific problem. To promote the development of more broadly applicable methods, organizers need to enforce the use of general techniques, the use of sample-efficient methods, and the reproducibility of the results. While beneficial for the research community, these restrictions come at a cost -- increased difficulty. If the barrier for entry is too high, many potential participants are demoralized. With this in mind, we hosted the third edition of the MineRL ObtainDiamond competition, MineRL Diamond 2021, with a separate track in which we permitted any solution to promote the participation of newcomers. With this track and more extensive tutorials and support, we saw an increased number of submissions. The participants of this easier track were able to obtain a diamond, and the participants of the harder track progressed the generalizable solutions in the same task.
Variational Neural Temporal Point Process
Authors: Deokjun Eom, Sehyun Lee, Jaesik Choi
Date: 2022-02-17 00:00:00
Tasks: Point Processes

A temporal point process is a stochastic process that predicts which type of events is likely to happen and when the event will occur given a history of a sequence of events. There are various examples of occurrence dynamics in the daily life, and it is important to train the temporal dynamics and solve two different prediction problems, time and type predictions. Especially, deep neural network based models have outperformed the statistical models, such as Hawkes processes and Poisson processes. However, many existing approaches overfit to specific events, instead of learning and predicting various event types. Therefore, such approaches could not cope with the modified relationships between events and fail to predict the intensity functions of temporal point processes very well. In this paper, to solve these problems, we propose a variational neural temporal point process (VNTPP). We introduce the inference and the generative networks, and train a distribution of latent variable to deal with stochastic property on deep neural network. The intensity functions are computed using the distribution of latent variable so that we can predict event types and the arrival times of the events more accurately. We empirically demonstrate that our model can generalize the representations of various event types. Moreover, we show quantitatively and qualitatively that our model outperforms other deep neural network based models and statistical processes on synthetic and real-world datasets.
Dynamic Relation Discovery and Utilization in Multi-Entity Time Series Forecasting
Authors: Lin Huang, Lijun Wu, Jia Zhang, Jiang Bian, Tie-Yan Liu
Date: 2022-02-18 00:00:00
Tasks: Graph Learning, Graph Neural Network, Relation, Time Series, Time Series Analysis, Time Series Forecasting

Time series forecasting plays a key role in a variety of domains. In a lot of real-world scenarios, there exist multiple forecasting entities (e.g. power station in the solar system, stations in the traffic system). A straightforward forecasting solution is to mine the temporal dependency for each individual entity through 1d-CNN, RNN, transformer, etc. This approach overlooks the relations between these entities and, in consequence, loses the opportunity to improve performance using spatial-temporal relation. However, in many real-world scenarios, beside explicit relation, there could exist crucial yet implicit relation between entities. How to discover the useful implicit relation between entities and effectively utilize the relations for each entity under various circumstances is crucial. In order to mine the implicit relation between entities as much as possible and dynamically utilize the relation to improve the forecasting performance, we propose an attentional multi-graph neural network with automatic graph learning (A2GNN) in this work. Particularly, a Gumbel-softmax based auto graph learner is designed to automatically capture the implicit relation among forecasting entities. We further propose an attentional relation learner that enables every entity to dynamically pay attention to its preferred relations. Extensive experiments are conducted on five real-world datasets from three different domains. The results demonstrate the effectiveness of A2GNN beyond several state-of-the-art methods.
Knowledge-informed Molecular Learning: A Survey on Paradigm Transfer
Authors: Yin Fang, Zhuo Chen, Xiaohui Fan, Ningyu Zhang
Date: 2022-02-17 00:00:00
Tasks: Molecular Property Prediction, Property Prediction, Survey

Machine learning, notably deep learning, has significantly propelled molecular investigations within the biochemical sphere. Traditionally, modeling for such research has centered around a handful of paradigms. For instance, the prediction paradigm is frequently deployed for tasks such as molecular property prediction. To enhance the generation and decipherability of purely data-driven models, scholars have integrated biochemical domain knowledge into these molecular study models. This integration has sparked a surge in paradigm transfer, which is solving one molecular learning task by reformulating it as another one. With the emergence of Large Language Models, these paradigms have demonstrated an escalating trend towards harmonized unification. In this work, we delineate a literature survey focused on knowledge-informed molecular learning from the perspective of paradigm transfer. We classify the paradigms, scrutinize their methodologies, and dissect the contribution of domain knowledge. Moreover, we encapsulate prevailing trends and identify intriguing avenues for future exploration in molecular learning.
It Takes Four to Tango: Multiagent Selfplay for Automatic Curriculum Generation
Authors: Yuqing Du, Pieter Abbeel, Aditya Grover
Date: 2022-02-22 00:00:00

We are interested in training general-purpose reinforcement learning agents that can solve a wide variety of goals. Training such agents efficiently requires automatic generation of a goal curriculum. This is challenging as it requires (a) exploring goals of increasing difficulty, while ensuring that the agent (b) is exposed to a diverse set of goals in a sample efficient manner and (c) does not catastrophically forget previously solved goals. We propose Curriculum Self Play (CuSP), an automated goal generation framework that seeks to satisfy these desiderata by virtue of a multi-player game with four agents. We extend the asymmetric curricula learning in PAIRED (Dennis et al., 2020) to a symmetrized game that carefully balances cooperation and competition between two off-policy student learners and two regret-maximizing teachers. CuSP additionally introduces entropic goal coverage and accounts for the non-stationary nature of the students, allowing us to automatically induce a curriculum that balances progressive exploration with anti-catastrophic exploitation. We demonstrate that our method succeeds at generating an effective curricula of goals for a range of control tasks, outperforming other methods at zero-shot test-time generalization to novel out-of-distribution goals.
Knowledge Base Question Answering by Case-based Reasoning over Subgraphs
Authors: Rajarshi Das, Ameya Godbole, Ankita Naik, Elliot Tower, Robin Jia, Manzil Zaheer, Hannaneh Hajishirzi, Andrew McCallum
Date: 2022-02-22 00:00:00
Tasks: Knowledge Base Question Answering, Question Answering

Question answering (QA) over knowledge bases (KBs) is challenging because of the diverse, essentially unbounded, types of reasoning patterns needed. However, we hypothesize in a large KB, reasoning patterns required to answer a query type reoccur for various entities in their respective subgraph neighborhoods. Leveraging this structural similarity between local neighborhoods of different subgraphs, we introduce a semiparametric model (CBR-SUBG) with (i) a nonparametric component that for each query, dynamically retrieves other similar $k$-nearest neighbor (KNN) training queries along with query-specific subgraphs and (ii) a parametric component that is trained to identify the (latent) reasoning patterns from the subgraphs of KNN queries and then apply them to the subgraph of the target query. We also propose an adaptive subgraph collection strategy to select a query-specific compact subgraph, allowing us to scale to full Freebase KB containing billions of facts. We show that CBR-SUBG can answer queries requiring subgraph reasoning patterns and performs competitively with the best models on several KBQA benchmarks. Our subgraph collection strategy also produces more compact subgraphs (e.g. 55\% reduction in size for WebQSP while increasing answer recall by 4.85\%)\footnote{Code, model, and subgraphs are available at \url{https://github.com/rajarshd/CBR-SUBG}}.
A Decentralized Communication Framework based on Dual-Level Recurrence for Multi-Agent Reinforcement Learning
Authors: Jingchen Li, Haobin Shi, Kao-Shing Hwang
Date: 2022-02-22 00:00:00
Tasks: Multi-agent Reinforcement Learning, Reinforcement Learning (RL)

We propose a model enabling decentralized multiple agents to share their perception of environment in a fair and adaptive way. In our model, both the current message and historical observation are taken into account, and they are handled in the same recurrent model but in different forms. We present a dual-level recurrent communication framework for multi-agent systems, in which the first recurrence occurs in the communication sequence and is used to transmit communication data among agents, while the second recurrence is based on the time sequence and combines the historical observations for each agent. The developed communication flow separates communication messages from memories but allows agents to share their historical observations by the dual-level recurrence. This design makes agents adapt to changeable communication objects, while the communication results are fair to these agents. We provide a sufficient discussion about our method in both partially observable and fully observable environments. The results of several experiments suggest our method outperforms the existing decentralized communication frameworks and the corresponding centralized training method.
Model Reprogramming: Resource-Efficient Cross-Domain Machine Learning
Authors: Pin-Yu Chen
Date: 2022-02-22 00:00:00
Tasks: BIG-bench Machine Learning, model, Transfer Learning

In data-rich domains such as vision, language, and speech, deep learning prevails to deliver high-performance task-specific models and can even learn general task-agnostic representations for efficient finetuning to downstream tasks. However, deep learning in resource-limited domains still faces multiple challenges including (i) limited data, (ii) constrained model development cost, and (iii) lack of adequate pre-trained models for effective finetuning. This paper provides an overview of model reprogramming to bridge this gap. Model reprogramming enables resource-efficient cross-domain machine learning by repurposing and reusing a well-developed pre-trained model from a source domain to solve tasks in a target domain without model finetuning, where the source and target domains can be vastly different. In many applications, model reprogramming outperforms transfer learning and training from scratch. This paper elucidates the methodology of model reprogramming, summarizes existing use cases, provides a theoretical explanation of the success of model reprogramming, and concludes with a discussion on open-ended research questions and opportunities. A list of model reprogramming studies is actively maintained and updated at https://github.com/IBM/model-reprogramming.
Behaviour-Diverse Automatic Penetration Testing: A Curiosity-Driven Multi-Objective Deep Reinforcement Learning Approach
Authors: Yizhou Yang, Xin Liu
Date: 2022-02-22 00:00:00
Tasks: Deep Reinforcement Learning, Multi-Objective Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Penetration Testing plays a critical role in evaluating the security of a target network by emulating real active adversaries. Deep Reinforcement Learning (RL) is seen as a promising solution to automating the process of penetration tests by reducing human effort and improving reliability. Existing RL solutions focus on finding a specific attack path to impact the target hosts. However, in reality, a diverse range of attack variations are needed to provide comprehensive assessments of the target network's security level. Hence, the attack agents must consider multiple objectives when penetrating the network. Nevertheless, this challenge is not adequately addressed in the existing literature. To this end, we formulate the automatic penetration testing in the Multi-Objective Reinforcement Learning (MORL) framework and propose a Chebyshev decomposition critic to find diverse adversary strategies that balance different objectives in the penetration test. Additionally, the number of available actions increases with the agent consistently probing the target network, making the training process intractable in many practical situations. Thus, we introduce a coverage-based masking mechanism that reduces attention on previously selected actions to help the agent adapt to future exploration. Experimental evaluation on a range of scenarios demonstrates the superiority of our proposed approach when compared to adapted algorithms in terms of multi-objective learning and performance efficiency.
Physics-Informed Graph Learning
Authors: Ciyuan Peng, Feng Xia, Vidya Saikrishna, Huan Liu
Date: 2022-02-22 00:00:00
Tasks: Graph Learning

An expeditious development of graph learning in recent years has found innumerable applications in several diversified fields. Of the main associated challenges are the volume and complexity of graph data. The graph learning models suffer from the inability to efficiently learn graph information. In order to indemnify this inefficacy, physics-informed graph learning (PIGL) is emerging. PIGL incorporates physics rules while performing graph learning, which has enormous benefits. This paper presents a systematic review of PIGL methods. We begin with introducing a unified framework of graph learning models followed by examining existing PIGL methods in relation to the unified framework. We also discuss several future challenges for PIGL. This survey paper is expected to stimulate innovative research and development activities pertaining to PIGL.
Graph Lifelong Learning: A Survey
Authors: Falih Gozi Febrinanto, Feng Xia, Kristen Moore, Chandra Thapa, Charu Aggarwal
Date: 2022-02-22 00:00:00
Tasks: Graph Learning, Lifelong learning, Recommendation Systems, Survey

Graph learning is a popular approach for performing machine learning on graph-structured data. It has revolutionized the machine learning ability to model graph data to address downstream tasks. Its application is wide due to the availability of graph data ranging from all types of networks to information systems. Most graph learning methods assume that the graph is static and its complete structure is known during training. This limits their applicability since they cannot be applied to problems where the underlying graph grows over time and/or new tasks emerge incrementally. Such applications require a lifelong learning approach that can learn the graph continuously and accommodate new information whilst retaining previously learned knowledge. Lifelong learning methods that enable continuous learning in regular domains like images and text cannot be directly applied to continuously evolving graph data, due to its irregular structure. As a result, graph lifelong learning is gaining attention from the research community. This survey paper provides a comprehensive overview of recent advancements in graph lifelong learning, including the categorization of existing methods, and the discussions of potential applications and open research problems.
Multi-Source Unsupervised Domain Adaptation via Pseudo Target Domain
Authors: Ren Chuan-Xian, Liu Yong-Hui, Zhang Xi-Wen, Huang Ke-Kun
Date: 2022-02-22 00:00:00
Tasks: Domain Adaptation, Multi-Source Unsupervised Domain Adaptation, Unsupervised Domain Adaptation

Multi-source domain adaptation (MDA) aims to transfer knowledge from multiple source domains to an unlabeled target domain. MDA is a challenging task due to the severe domain shift, which not only exists between target and source but also exists among diverse sources. Prior studies on MDA either estimate a mixed distribution of source domains or combine multiple single-source models, but few of them delve into the relevant information among diverse source domains. For this reason, we propose a novel MDA approach, termed Pseudo Target for MDA (PTMDA). Specifically, PTMDA maps each group of source and target domains into a group-specific subspace using adversarial learning with a metric constraint, and constructs a series of pseudo target domains correspondingly. Then we align the remainder source domains with the pseudo target domain in the subspace efficiently, which allows to exploit additional structured source information through the training on pseudo target domain and improves the performance on the real target domain. Besides, to improve the transferability of deep neural networks (DNNs), we replace the traditional batch normalization layer with an effective matching normalization layer, which enforces alignments in latent layers of DNNs and thus gains further promotion. We give theoretical analysis showing that PTMDA as a whole can reduce the target error bound and leads to a better approximation of the target risk in MDA settings. Extensive experiments demonstrate PTMDA's effectiveness on MDA tasks, as it outperforms state-of-the-art methods in most experimental settings.
Transporters with Visual Foresight for Solving Unseen Rearrangement Tasks
Authors: Hongtao Wu, Jikai Ye, Xin Meng, Chris Paxton, Gregory Chirikjian
Date: 2022-02-22 00:00:00
Tasks: Imitation Learning, Multi-Task Learning, Task Planning

Rearrangement tasks have been identified as a crucial challenge for intelligent robotic manipulation, but few methods allow for precise construction of unseen structures. We propose a visual foresight model for pick-and-place rearrangement manipulation which is able to learn efficiently. In addition, we develop a multi-modal action proposal module which builds on the Goal-Conditioned Transporter Network, a state-of-the-art imitation learning method. Our image-based task planning method, Transporters with Visual Foresight, is able to learn from only a handful of data and generalize to multiple unseen tasks in a zero-shot manner. TVF is able to improve the performance of a state-of-the-art imitation learning method on unseen tasks in simulation and real robot experiments. In particular, the average success rate on unseen tasks improves from 55.4% to 78.5% in simulation experiments and from 30% to 63.3% in real robot experiments when given only tens of expert demonstrations. Video and code are available on our project website: https://chirikjianlab.github.io/tvf/