pwc-archive/papers-with-abstracts huggingface dataset:
End-to-end Learning for Fair Ranking Systems
Authors: James Kotary, Ferdinando Fioretto, Pascal Van Hentenryck, Ziwei Zhu
Date: 2021-11-21 00:00:00
Tasks: Fairness, Learning-To-Rank

The learning-to-rank problem aims at ranking items to maximize exposure of those most relevant to a user query. A desirable property of such ranking systems is to guarantee some notion of fairness among specified item groups. While fairness has recently been considered in the context of learning-to-rank systems, current methods cannot provide guarantees on the fairness of the proposed ranking policies. This paper addresses this gap and introduces Smart Predict and Optimize for Fair Ranking (SPOFR), an integrated optimization and learning framework for fairness-constrained learning to rank. The end-to-end SPOFR framework includes a constrained optimization sub-model and produces ranking policies that are guaranteed to satisfy fairness constraints while allowing for fine control of the fairness-utility tradeoff. SPOFR is shown to significantly improve current state-of-the-art fair learning-to-rank systems with respect to established performance metrics.
Towards Graph Self-Supervised Learning with Contrastive Adjusted Zooming
Authors: Yizhen Zheng, Ming Jin, Shirui Pan, Yuan-Fang Li, Hao Peng, Ming Li, Zhao Li
Date: 2021-11-20 00:00:00
Tasks: Contrastive Learning, Graph Representation Learning, Representation Learning, Self-Supervised Learning

Graph representation learning (GRL) is critical for graph-structured data analysis. However, most of the existing graph neural networks (GNNs) heavily rely on labeling information, which is normally expensive to obtain in the real world. Although some existing works aim to effectively learn graph representations in an unsupervised manner, they suffer from certain limitations, such as the heavy reliance on monotone contrastiveness and limited scalability. To overcome the aforementioned problems, we introduce a novel self-supervised graph representation learning algorithm via Graph Contrastive Adjusted Zooming, namely G-Zoom, to learn node representations by leveraging the proposed adjusted zooming scheme. Specifically, this mechanism enables G-Zoom to explore and extract self-supervision signals from a graph from multiple scales: micro (i.e., node-level), meso (i.e., neighborhood-level), and macro (i.e., subgraph-level). Firstly, we generate two augmented views of the input graph via two different graph augmentations. Then, we establish three different contrastiveness on the above three scales progressively, from node, neighboring, to subgraph level, where we maximize the agreement between graph representations across scales. While we can extract valuable clues from a given graph on the micro and macro perspectives, the neighboring-level contrastiveness offers G-Zoom the capability of a customizable option based on our adjusted zooming scheme to manually choose an optimal viewpoint that lies between the micro and macro perspectives to better understand the graph data. Additionally, to make our model scalable to large graphs, we employ a parallel graph diffusion approach to decouple model training from the graph size. We have conducted extensive experiments on real-world datasets, and the results demonstrate that our proposed model outperforms state-of-the-art methods consistently.
Generalizing Graph Neural Networks on Out-Of-Distribution Graphs
Authors: Shaohua Fan, Xiao Wang, Chuan Shi, Peng Cui, Bai Wang
Date: 2021-11-20 00:00:00
Tasks: Causal Inference

Graph Neural Networks (GNNs) are proposed without considering the agnostic distribution shifts between training and testing graphs, inducing the degeneration of the generalization ability of GNNs on Out-Of-Distribution (OOD) settings. The fundamental reason for such degeneration is that most GNNs are developed based on the I.I.D hypothesis. In such a setting, GNNs tend to exploit subtle statistical correlations existing in the training set for predictions, even though it is a spurious correlation. However, such spurious correlations may change in testing environments, leading to the failure of GNNs. Therefore, eliminating the impact of spurious correlations is crucial for stable GNNs. To this end, we propose a general causal representation framework, called StableGNN. The main idea is to extract high-level representations from graph data first and resort to the distinguishing ability of causal inference to help the model get rid of spurious correlations. Particularly, we exploit a graph pooling layer to extract subgraph-based representations as high-level representations. Furthermore, we propose a causal variable distinguishing regularizer to correct the biased training distribution. Hence, GNNs would concentrate more on the stable correlations. Extensive experiments on both synthetic and real-world OOD graph datasets well verify the effectiveness, flexibility and interpretability of the proposed framework.
Simple End-to-end Deep Learning Model for CDR-H3 Loop Structure Prediction
Authors: Natalia Zenkova, Ekaterina Sedykh, Tatiana Shugaeva, Vladislav Strashko, Timofei Ermak, Aleksei Shpilman
Date: 2021-11-20 00:00:00

Predicting a structure of an antibody from its sequence is important since it allows for a better design process of synthetic antibodies that play a vital role in the health industry. Most of the structure of an antibody is conservative. The most variable and hard-to-predict part is the third complementarity-determining region of the antibody heavy chain (CDR H3). Lately, deep learning has been employed to solve the task of CDR H3 prediction. However, current state-of-the-art methods are not end-to-end, but rather they output inter-residue distances and orientations to the RosettaAntibody package that uses this additional information alongside statistical and physics-based methods to predict the 3D structure. This does not allow a fast screening process and, therefore, inhibits the development of targeted synthetic antibodies. In this work, we present an end-to-end model to predict CDR H3 loop structure, that performs on par with state-of-the-art methods in terms of accuracy but an order of magnitude faster. We also raise an issue with a commonly used RosettaAntibody benchmark that leads to data leaks, i.e., the presence of identical sequences in the train and test datasets.
HeterPS: Distributed Deep Learning With Reinforcement Learning Based Scheduling in Heterogeneous Environments
Authors: Ji Liu, Zhihua Wu, dianhai yu, Yanjun Ma, Danlei Feng, Minxu Zhang, Xinxuan Wu, Xuefeng Yao, Dejing Dou
Date: 2021-11-20 00:00:00
Tasks: Distributed Computing, reinforcement-learning, Reinforcement Learning (RL), Scheduling

Deep neural networks (DNNs) exploit many layers and a large number of parameters to achieve excellent performance. The training process of DNN models generally handles large-scale input data with many sparse features, which incurs high Input/Output (IO) cost, while some layers are compute-intensive. The training process generally exploits distributed computing resources to reduce training time. In addition, heterogeneous computing resources, e.g., CPUs, GPUs of multiple types, are available for the distributed training process. Thus, the scheduling of multiple layers to diverse computing resources is critical for the training process. To efficiently train a DNN model using the heterogeneous computing resources, we propose a distributed framework, i.e., Paddle-Heterogeneous Parameter Server (Paddle-HeterPS), composed of a distributed architecture and a Reinforcement Learning (RL)-based scheduling method. The advantages of Paddle-HeterPS are three-fold compared with existing frameworks. First, Paddle-HeterPS enables efficient training process of diverse workloads with heterogeneous computing resources. Second, Paddle-HeterPS exploits an RL-based method to efficiently schedule the workload of each layer to appropriate computing resources to minimize the cost while satisfying throughput constraints. Third, Paddle-HeterPS manages data storage and data communication among distributed computing resources. We carry out extensive experiments to show that Paddle-HeterPS significantly outperforms state-of-the-art approaches in terms of throughput (14.5 times higher) and monetary cost (312.3% smaller). The codes of the framework are publicly available at: https://github.com/PaddlePaddle/Paddle.
Calculus of Consent via MARL: Legitimating the Collaborative Governance Supplying Public Goods
Authors: Yang Hu, Zhui Zhu, Sirui Song, Xue Liu, Yang Yu
Date: 2021-11-20 00:00:00
Tasks: Multi-agent Reinforcement Learning

Public policies that supply public goods, especially those involve collaboration by limiting individual liberty, always give rise to controversies over governance legitimacy. Multi-Agent Reinforcement Learning (MARL) methods are appropriate for supporting the legitimacy of the public policies that supply public goods at the cost of individual interests. Among these policies, the inter-regional collaborative pandemic control is a prominent example, which has become much more important for an increasingly inter-connected world facing a global pandemic like COVID-19. Different patterns of collaborative strategies have been observed among different systems of regions, yet it lacks an analytical process to reason for the legitimacy of those strategies. In this paper, we use the inter-regional collaboration for pandemic control as an example to demonstrate the necessity of MARL in reasoning, and thereby legitimizing policies enforcing such inter-regional collaboration. Experimental results in an exemplary environment show that our MARL approach is able to demonstrate the effectiveness and necessity of restrictions on individual liberty for collaborative supply of public goods. Different optimal policies are learned by our MARL agents under different collaboration levels, which change in an interpretable pattern of collaboration that helps to balance the losses suffered by regions of different types, and consequently promotes the overall welfare. Meanwhile, policies learned with higher collaboration levels yield higher global rewards, which illustrates the benefit of, and thus provides a novel justification for the legitimacy of, promoting inter-regional collaboration. Therefore, our method shows the capability of MARL in computationally modeling and supporting the theory of calculus of consent, developed by Nobel Prize winner J. M. Buchanan.
Explainable Biomedical Recommendations via Reinforcement Learning Reasoning on Knowledge Graphs
Authors: Gavin Edwards, Sebastian Nilsson, Benedek Rozemberczki, Eliseo Papa
Date: 2021-11-20 00:00:00
Tasks: Drug Discovery, Knowledge Graphs, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

For Artificial Intelligence to have a greater impact in biology and medicine, it is crucial that recommendations are both accurate and transparent. In other domains, a neurosymbolic approach of multi-hop reasoning on knowledge graphs has been shown to produce transparent explanations. However, there is a lack of research applying it to complex biomedical datasets and problems. In this paper, the approach is explored for drug discovery to draw solid conclusions on its applicability. For the first time, we systematically apply it to multiple biomedical datasets and recommendation tasks with fair benchmark comparisons. The approach is found to outperform the best baselines by 21.7% on average whilst producing novel, biologically relevant explanations.
SPINE: Soft Piecewise Interpretable Neural Equations
Authors: Jasdeep Singh Grover, Harsh Minesh Domadia, Raj Anant Tapase, Grishma Sharma
Date: 2021-11-20 00:00:00

Relu Fully Connected Networks are ubiquitous but uninterpretable because they fit piecewise linear functions emerging from multi-layered structures and complex interactions of model weights. This paper takes a novel approach to piecewise fits by using set operations on individual pieces(parts). This is done by approximating canonical normal forms and using the resultant as a model. This gives special advantages like (a)strong correspondence of parameters to pieces of the fit function(High Interpretability); (b)ability to fit any combination of continuous functions as pieces of the piecewise function(Ease of Design); (c)ability to add new non-linearities in a targeted region of the domain(Targeted Learning); (d)simplicity of an equation which avoids layering. It can also be expressed in the general max-min representation of piecewise linear functions which gives theoretical ease and credibility. This architecture is tested on simulated regression and classification tasks and benchmark datasets including UCI datasets, MNIST, FMNIST, and CIFAR 10. This performance is on par with fully connected architectures. It can find a variety of applications where fully connected layers must be replaced by interpretable layers.
Quality and Computation Time in Optimization Problems
Authors: ZhiCheng He
Date: 2021-11-20 00:00:00
Tasks: Bayesian Optimization, Evolutionary Algorithms

Optimization problems are crucial in artificial intelligence. Optimization algorithms are generally used to adjust the performance of artificial intelligence models to minimize the error of mapping inputs to outputs. Current evaluation methods on optimization algorithms generally consider the performance in terms of quality. However, not all optimization algorithms for all test cases are evaluated equal from quality, the computation time should be also considered for optimization tasks. In this paper, we investigate the quality and computation time of optimization algorithms in optimization problems, instead of the one-for-all evaluation of quality. We select the well-known optimization algorithms (Bayesian optimization and evolutionary algorithms) and evaluate them on the benchmark test functions in terms of quality and computation time. The results show that BO is suitable to be applied in the optimization tasks that are needed to obtain desired quality in the limited function evaluations, and the EAs are suitable to search the optimal of the tasks that are allowed to find the optimal solution with enough function evaluations. This paper provides the recommendation to select suitable optimization algorithms for optimization problems with different numbers of function evaluations, which contributes to the efficiency that obtains the desired quality with less computation time for optimization problems.
Generating meta-learning tasks to evolve parametric loss for classification learning
Authors: Zhaoyang Hai, Xiabi Liu, Yuchen Ren, Nouman Q. Soomro
Date: 2021-11-20 00:00:00
Tasks: Meta-Learning

The field of meta-learning has seen a dramatic rise in interest in recent years. In existing meta-learning approaches, learning tasks for training meta-models are usually collected from public datasets, which brings the difficulty of obtaining a sufficient number of meta-learning tasks with a large amount of training data. In this paper, we propose a meta-learning approach based on randomly generated meta-learning tasks to obtain a parametric loss for classification learning based on big data. The loss is represented by a deep neural network, called meta-loss network (MLN). To train the MLN, we construct a large number of classification learning tasks through randomly generating training data, validation data, and corresponding ground-truth linear classifier. Our approach has two advantages. First, sufficient meta-learning tasks with large number of training data can be obtained easily. Second, the ground-truth classifier is given, so that the difference between the learned classifier and the ground-truth model can be measured to reflect the performance of MLN more precisely than validation accuracy. Based on this difference, we apply the evolutionary strategy algorithm to find out the optimal MLN. The resultant MLN not only leads to satisfactory learning effects on generated linear classifier learning tasks for testing, but also behaves very well on generated nonlinear classifier learning tasks and various public classification tasks. Our MLN stably surpass cross-entropy (CE) and mean square error (MSE) in testing accuracy and generalization ability. These results illustrate the possibility of achieving satisfactory meta-learning effects using generated learning tasks.
Learning Non-Stationary Time-Series with Dynamic Pattern Extractions
Authors: Xipei Wang, Haoyu Zhang, Yuanbo Zhang, Meng Wang, Jiarui Song, Tin Lai, Matloob Khushi
Date: 2021-11-20 00:00:00
Tasks: Decision Making, Dynamic Time Warping, Time Series, Time Series Analysis

The era of information explosion had prompted the accumulation of a tremendous amount of time-series data, including stationary and non-stationary time-series data. State-of-the-art algorithms have achieved a decent performance in dealing with stationary temporal data. However, traditional algorithms that tackle stationary time-series do not apply to non-stationary series like Forex trading. This paper investigates applicable models that can improve the accuracy of forecasting future trends of non-stationary time-series sequences. In particular, we focus on identifying potential models and investigate the effects of recognizing patterns from historical data. We propose a combination of \rebuttal{the} seq2seq model based on RNN, along with an attention mechanism and an enriched set features extracted via dynamic time warping and zigzag peak valley indicators. Customized loss functions and evaluating metrics have been designed to focus more on the predicting sequence's peaks and valley points. Our results show that our model can predict 4-hour future trends with high accuracy in the Forex dataset, which is crucial in realistic scenarios to assist foreign exchange trading decision making. We further provide evaluations of the effects of various loss functions, evaluation metrics, model variants, and components on model performance.
Triples-to-Text Generation with Reinforcement Learning Based Graph-augmented Neural Networks
Authors: Hanning Gao, Lingfei Wu, Hongyun Zhang, Zhihua Wei, Po Hu, Fangli Xu, Bo Long
Date: 2021-11-20 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Text Generation

Considering a collection of RDF triples, the RDF-to-text generation task aims to generate a text description. Most previous methods solve this task using a sequence-to-sequence model or using a graph-based model to encode RDF triples and to generate a text sequence. Nevertheless, these approaches fail to clearly model the local and global structural information between and within RDF triples. Moreover, the previous methods also face the non-negligible problem of low faithfulness of the generated text, which seriously affects the overall performance of these models. To solve these problems, we propose a model combining two new graph-augmented structural neural encoders to jointly learn both local and global structural information in the input RDF triples. To further improve text faithfulness, we innovatively introduce a reinforcement learning (RL) reward based on information extraction (IE). We first extract triples from the generated text using a pretrained IE model and regard the correct number of the extracted triples as the additional RL reward. Experimental results on two benchmark datasets demonstrate that our proposed model outperforms the state-of-the-art baselines, and the additional reinforcement learning reward does help to improve the faithfulness of the generated text.
ACR-Pose: Adversarial Canonical Representation Reconstruction Network for Category Level 6D Object Pose Estimation
Authors: Zhaoxin Fan, Zhengbo Song, Jian Xu, Zhicheng Wang, Kejian Wu, Hongyan Liu, Jun He
Date: 2021-11-20 00:00:00
Tasks: 6D Pose Estimation using RGB, Pose Estimation, Translation

Recently, category-level 6D object pose estimation has achieved significant improvements with the development of reconstructing canonical 3D representations. However, the reconstruction quality of existing methods is still far from excellent. In this paper, we propose a novel Adversarial Canonical Representation Reconstruction Network named ACR-Pose. ACR-Pose consists of a Reconstructor and a Discriminator. The Reconstructor is primarily composed of two novel sub-modules: Pose-Irrelevant Module (PIM) and Relational Reconstruction Module (RRM). PIM tends to learn canonical-related features to make the Reconstructor insensitive to rotation and translation, while RRM explores essential relational information between different input modalities to generate high-quality features. Subsequently, a Discriminator is employed to guide the Reconstructor to generate realistic canonical representations. The Reconstructor and the Discriminator learn to optimize through adversarial training. Experimental results on the prevalent NOCS-CAMERA and NOCS-REAL datasets demonstrate that our method achieves state-of-the-art performance.
Real-World Semantic Grasp Detection Based on Attention Mechanism
Authors: Mingshuai Dong, Shimin Wei, Jianqin Yin, Xiuli Yu
Date: 2021-11-20 00:00:00
Tasks: Object

Recognizing the category of the object and using the features of the object itself to predict grasp configuration is of great significance to improve the accuracy of the grasp detection model and expand its application. Researchers have been trying to combine these capabilities in an end-to-end network to grasping specific objects in a cluttered scene efficiently. In this paper, we propose an end-to-end semantic grasp detection model, which can accomplish both semantic recognition and grasp detection. And we also design a target feature attention mechanism to guide the model focus on the features of target object ontology for grasp prediction according to the semantic information. This method effectively reduces the background features that are weakly correlated to the target object, thus making the features more unique and guaranteeing the accuracy and efficiency of grasp detection. Experimental results show that the proposed method can achieve 98.38% accuracy in Cornell Grasp Dataset. Furthermore, our results on complex multi-object scenarios or more rigorous evaluation metrics show the domain adaptability of our method over the state-of-the-art.
Towards Safe, Explainable, and Regulated Autonomous Driving
Authors: Shahin Atakishiyev, Mohammad Salameh, Hengshuai Yao, Randy Goebel
Date: 2021-11-20 00:00:00
Tasks: Autonomous Driving, Autonomous Vehicles, Explainable Artificial Intelligence (XAI), Reinforcement Learning (RL)

There has been recent and growing interest in the development and deployment of autonomous vehicles, encouraged by the empirical successes of powerful artificial intelligence techniques (AI), especially in the applications of deep learning and reinforcement learning. However, as demonstrated by recent traffic accidents, autonomous driving technology is not fully reliable for safe deployment. As AI is the main technology behind the intelligent navigation systems of self-driving vehicles, both the stakeholders and transportation regulators require their AI-driven software architecture to be safe, explainable, and regulatory compliant. In this paper, we propose a design framework that integrates autonomous control, explainable AI (XAI), and regulatory compliance to address this issue, and then provide an initial validation of the framework with a critical analysis in a case study. Moreover, we describe relevant XAI approaches that can help achieve the goals of the framework.