pwc-archive/papers-with-abstracts huggingface dataset:
CTAGE: Curvature-Based Topology-Aware Graph Embedding for Learning Molecular Representations
Authors: Yili Chen, Zhengyu Li, Zheng Wan, Hui Yu, Xian Wei
Date: 2023-07-25 00:00:00
Tasks: Drug Design, Graph Embedding, Graph Neural Network, Molecular Property Prediction, Property Prediction

AI-driven drug design relies significantly on predicting molecular properties, which is a complex task. In current approaches, the most commonly used feature representations for training deep neural network models are based on SMILES and molecular graphs. While these methods are concise and efficient, they have limitations in capturing complex spatial information. Recently, researchers have recognized the importance of incorporating three-dimensional information of molecular structures into models. However, capturing spatial information requires the introduction of additional units in the generator, bringing additional design and computational costs. Therefore, it is necessary to develop a method for predicting molecular properties that effectively combines spatial structural information while maintaining the simplicity and efficiency of graph neural networks. In this work, we propose an embedding approach CTAGE, utilizing $k$-hop discrete Ricci curvature to extract structural insights from molecular graph data. This effectively integrates spatial structural information while preserving the training complexity of the network. Experimental results indicate that introducing node curvature significantly improves the performance of current graph neural network frameworks, validating that the information from k-hop node curvature effectively reflects the relationship between molecular structure and function.
Unbiased Weight Maximization
Authors: Stephen Chung
Date: 2023-07-25 00:00:00
Tasks: Reinforcement Learning (RL)

A biologically plausible method for training an Artificial Neural Network (ANN) involves treating each unit as a stochastic Reinforcement Learning (RL) agent, thereby considering the network as a team of agents. Consequently, all units can learn via REINFORCE, a local learning rule modulated by a global reward signal, which aligns more closely with biologically observed forms of synaptic plasticity. Nevertheless, this learning method is often slow and scales poorly with network size due to inefficient structural credit assignment, since a single reward signal is broadcast to all units without considering individual contributions. Weight Maximization, a proposed solution, replaces a unit's reward signal with the norm of its outgoing weight, thereby allowing each hidden unit to maximize the norm of the outgoing weight instead of the global reward signal. In this research report, we analyze the theoretical properties of Weight Maximization and propose a variant, Unbiased Weight Maximization. This new approach provides an unbiased learning rule that increases learning speed and improves asymptotic performance. Notably, to our knowledge, this is the first learning rule for a network of Bernoulli-logistic units that is unbiased and scales well with the number of network's units in terms of learning speed.
LoraHub: Efficient Cross-Task Generalization via Dynamic LoRA Composition
Authors: Chengsong Huang, Qian Liu, Bill Yuchen Lin, Tianyu Pang, Chao Du, Min Lin
Date: 2023-07-25 00:00:00
Tasks: In-Context Learning

Low-rank adaptations (LoRA) are often employed to fine-tune large language models (LLMs) for new tasks. This paper investigates LoRA composability for cross-task generalization and introduces LoraHub, a simple framework devised for the purposive assembly of LoRA modules trained on diverse given tasks, with the objective of achieving adaptable performance on unseen tasks. With just a few examples from a new task, LoraHub can fluidly combine multiple LoRA modules, eliminating the need for human expertise and assumptions. Notably, the composition requires neither additional model parameters nor gradients. Empirical results on the Big-Bench Hard benchmark suggest that LoraHub, while not surpassing the performance of in-context learning, offers a notable performance-efficiency trade-off in few-shot scenarios by employing a significantly reduced number of tokens per example during inference. Notably, LoraHub establishes a better upper bound compared to in-context learning when paired with different demonstration examples, demonstrating its potential for future development. Our vision is to establish a platform for LoRA modules, empowering users to share their trained LoRA modules. This collaborative approach facilitates the seamless application of LoRA modules to novel tasks, contributing to an adaptive ecosystem. Our code is available at https://github.com/sail-sg/lorahub, and all the pre-trained LoRA modules are released at https://huggingface.co/lorahub.
Federated Split Learning with Only Positive Labels for resource-constrained IoT environment
Authors: Praveen Joshi, Chandra Thapa, Mohammed Hasanuzzaman, Ted Scully, Haithem Afli
Date: 2023-07-25 00:00:00

Distributed collaborative machine learning (DCML) is a promising method in the Internet of Things (IoT) domain for training deep learning models, as data is distributed across multiple devices. A key advantage of this approach is that it improves data privacy by removing the necessity for the centralized aggregation of raw data but also empowers IoT devices with low computational power. Among various techniques in a DCML framework, federated split learning, known as splitfed learning (SFL), is the most suitable for efficient training and testing when devices have limited computational capabilities. Nevertheless, when resource-constrained IoT devices have only positive labeled data, multiclass classification deep learning models in SFL fail to converge or provide suboptimal results. To overcome these challenges, we propose splitfed learning with positive labels (SFPL). SFPL applies a random shuffling function to the smashed data received from clients before supplying it to the server for model training. Additionally, SFPL incorporates the local batch normalization for the client-side model portion during the inference phase. Our results demonstrate that SFPL outperforms SFL: (i) by factors of 51.54 and 32.57 for ResNet-56 and ResNet-32, respectively, with the CIFAR-100 dataset, and (ii) by factors of 9.23 and 8.52 for ResNet-32 and ResNet-8, respectively, with CIFAR-10 dataset. Overall, this investigation underscores the efficacy of the proposed SFPL framework in DCML.
Structural Credit Assignment with Coordinated Exploration
Authors: Stephen Chung
Date: 2023-07-25 00:00:00
Tasks: Reinforcement Learning (RL)

A biologically plausible method for training an Artificial Neural Network (ANN) involves treating each unit as a stochastic Reinforcement Learning (RL) agent, thereby considering the network as a team of agents. Consequently, all units can learn via REINFORCE, a local learning rule modulated by a global reward signal, which aligns more closely with biologically observed forms of synaptic plasticity. However, this learning method tends to be slow and does not scale well with the size of the network. This inefficiency arises from two factors impeding effective structural credit assignment: (i) all units independently explore the network, and (ii) a single reward is used to evaluate the actions of all units. Accordingly, methods aimed at improving structural credit assignment can generally be classified into two categories. The first category includes algorithms that enable coordinated exploration among units, such as MAP propagation. The second category encompasses algorithms that compute a more specific reward signal for each unit within the network, like Weight Maximization and its variants. In this research report, our focus is on the first category. We propose the use of Boltzmann machines or a recurrent network for coordinated exploration. We show that the negative phase, which is typically necessary to train Boltzmann machines, can be removed. The resulting learning rules are similar to the reward-modulated Hebbian learning rule. Experimental results demonstrate that coordinated exploration significantly exceeds independent exploration in training speed for multiple stochastic and discrete units based on REINFORCE, even surpassing straight-through estimator (STE) backpropagation.
GaPro: Box-Supervised 3D Point Cloud Instance Segmentation Using Gaussian Processes as Pseudo Labelers
Authors: Tuan Duc Ngo, Binh-Son Hua, Khoi Nguyen
Date: 2023-07-25 00:00:00
Proceeding: ICCV 2023 1
Tasks: 3D Instance Segmentation, Gaussian Processes, Instance Segmentation, Segmentation, Semantic Segmentation

Instance segmentation on 3D point clouds (3DIS) is a longstanding challenge in computer vision, where state-of-the-art methods are mainly based on full supervision. As annotating ground truth dense instance masks is tedious and expensive, solving 3DIS with weak supervision has become more practical. In this paper, we propose GaPro, a new instance segmentation for 3D point clouds using axis-aligned 3D bounding box supervision. Our two-step approach involves generating pseudo labels from box annotations and training a 3DIS network with the resulting labels. Additionally, we employ the self-training strategy to improve the performance of our method further. We devise an effective Gaussian Process to generate pseudo instance masks from the bounding boxes and resolve ambiguities when they overlap, resulting in pseudo instance masks with their uncertainty values. Our experiments show that GaPro outperforms previous weakly supervised 3D instance segmentation methods and has competitive performance compared to state-of-the-art fully supervised ones. Furthermore, we demonstrate the robustness of our approach, where we can adapt various state-of-the-art fully supervised methods to the weak supervision task by using our pseudo labels for training. The source code and trained models are available at https://github.com/VinAIResearch/GaPro.
RoSAS: Deep Semi-Supervised Anomaly Detection with Contamination-Resilient Continuous Supervision
Authors: Hongzuo Xu, Yijie Wang, Guansong Pang, Songlei Jian, Ning Liu, Yongjun Wang
Date: 2023-07-25 00:00:00
Tasks: Anomaly Detection, Semi-supervised Anomaly Detection, Supervised Anomaly Detection, Weakly-supervised Anomaly Detection

Semi-supervised anomaly detection methods leverage a few anomaly examples to yield drastically improved performance compared to unsupervised models. However, they still suffer from two limitations: 1) unlabeled anomalies (i.e., anomaly contamination) may mislead the learning process when all the unlabeled data are employed as inliers for model training; 2) only discrete supervision information (such as binary or ordinal data labels) is exploited, which leads to suboptimal learning of anomaly scores that essentially take on a continuous distribution. Therefore, this paper proposes a novel semi-supervised anomaly detection method, which devises \textit{contamination-resilient continuous supervisory signals}. Specifically, we propose a mass interpolation method to diffuse the abnormality of labeled anomalies, thereby creating new data samples labeled with continuous abnormal degrees. Meanwhile, the contaminated area can be covered by new data samples generated via combinations of data with correct labels. A feature learning-based objective is added to serve as an optimization constraint to regularize the network and further enhance the robustness w.r.t. anomaly contamination. Extensive experiments on 11 real-world datasets show that our approach significantly outperforms state-of-the-art competitors by 20%-30% in AUC-PR and obtains more robust and superior performance in settings with different anomaly contamination levels and varying numbers of labeled anomalies. The source code is available at https://github.com/xuhongzuo/rosas/.
Multilevel Large Language Models for Everyone
Authors: Yuanhao Gong
Date: 2023-07-25 00:00:00

Large language models have made significant progress in the past few years. However, they are either generic {\it or} field specific, splitting the community into different groups. In this paper, we unify these large language models into a larger map, where the generic {\it and} specific models are linked together and can improve each other, based on the user personal input and information from the internet. The idea of linking several large language models together is inspired by the functionality of human brain. The specific regions on the brain cortex are specific for certain low level functionality. And these regions can jointly work together to achieve more complex high level functionality. Such behavior on human brain cortex sheds the light to design the multilevel large language models that contain global level, field level and user level models. The user level models run on local machines to achieve efficient response and protect the user's privacy. Such multilevel models reduce some redundancy and perform better than the single level models. The proposed multilevel idea can be applied in various applications, such as natural language processing, computer vision tasks, professional assistant, business and healthcare.
One for Multiple: Physics-informed Synthetic Data Boosts Generalizable Deep Learning for Fast MRI Reconstruction
Authors: Zi Wang, Xiaotong Yu, Chengyan Wang, Weibo Chen, Jiazheng Wang, Ying-Hua Chu, Hongwei Sun, Rushuai Li, Peiyong Li, Fan Yang, Haiwei Han, Taishan Kang, Jianzhong Lin, Chen Yang, Shufu Chang, Zhang Shi, Sha Hua, Yan Li, Juan Hu, Liuhong Zhu, Jianjun Zhou, Meijing Lin, Jiefeng Guo, Congbo Cai, Zhong Chen, Di Guo, Guang Yang, Xiaobo Qu
Date: 2023-07-25 00:00:00
Tasks: Image Reconstruction, Medical Diagnosis, MRI Reconstruction

Magnetic resonance imaging (MRI) is a widely used radiological modality renowned for its radiation-free, comprehensive insights into the human body, facilitating medical diagnoses. However, the drawback of prolonged scan times hinders its accessibility. The k-space undersampling offers a solution, yet the resultant artifacts necessitate meticulous removal during image reconstruction. Although Deep Learning (DL) has proven effective for fast MRI image reconstruction, its broader applicability across various imaging scenarios has been constrained. Challenges include the high cost and privacy restrictions associated with acquiring large-scale, diverse training data, coupled with the inherent difficulty of addressing mismatches between training and target data in existing DL methodologies. Here, we present a novel Physics-Informed Synthetic data learning framework for Fast MRI, called PISF. PISF marks a breakthrough by enabling generalized DL for multi-scenario MRI reconstruction through a single trained model. Our approach separates the reconstruction of a 2D image into many 1D basic problems, commencing with 1D data synthesis to facilitate generalization. We demonstrate that training DL models on synthetic data, coupled with enhanced learning techniques, yields in vivo MRI reconstructions comparable to or surpassing those of models trained on matched realistic datasets, reducing the reliance on real-world MRI data by up to 96%. Additionally, PISF exhibits remarkable generalizability across multiple vendors and imaging centers. Its adaptability to diverse patient populations has been validated through evaluations by ten experienced medical professionals. PISF presents a feasible and cost-effective way to significantly boost the widespread adoption of DL in various fast MRI applications.
Adversarial Deep Hedging: Learning to Hedge without Price Process Modeling
Authors: Masanori Hirano, Kentaro Minami, Kentaro Imajo
Date: 2023-07-25 00:00:00

Deep hedging is a deep-learning-based framework for derivative hedging in incomplete markets. The advantage of deep hedging lies in its ability to handle various realistic market conditions, such as market frictions, which are challenging to address within the traditional mathematical finance framework. Since deep hedging relies on market simulation, the underlying asset price process model is crucial. However, existing literature on deep hedging often relies on traditional mathematical finance models, e.g., Brownian motion and stochastic volatility models, and discovering effective underlying asset models for deep hedging learning has been a challenge. In this study, we propose a new framework called adversarial deep hedging, inspired by adversarial learning. In this framework, a hedger and a generator, which respectively model the underlying asset process and the underlying asset process, are trained in an adversarial manner. The proposed method enables to learn a robust hedger without explicitly modeling the underlying asset process. Through numerical experiments, we demonstrate that our proposed method achieves competitive performance to models that assume explicit underlying asset processes across various real market data.
FedMEKT: Distillation-based Embedding Knowledge Transfer for Multimodal Federated Learning
Authors: Huy Q. Le, Minh N. H. Nguyen, Chu Myaet Thwal, Yu Qiao, Chaoning Zhang, Choong Seon Hong
Date: 2023-07-25 00:00:00
Tasks: Activity Recognition, Federated Learning, Human Activity Recognition, Linear evaluation, Transfer Learning

Federated learning (FL) enables a decentralized machine learning paradigm for multiple clients to collaboratively train a generalized global model without sharing their private data. Most existing works simply propose typical FL systems for single-modal data, thus limiting its potential on exploiting valuable multimodal data for future personalized applications. Furthermore, the majority of FL approaches still rely on the labeled data at the client side, which is limited in real-world applications due to the inability of self-annotation from users. In light of these limitations, we propose a novel multimodal FL framework that employs a semi-supervised learning approach to leverage the representations from different modalities. Bringing this concept into a system, we develop a distillation-based multimodal embedding knowledge transfer mechanism, namely FedMEKT, which allows the server and clients to exchange the joint knowledge of their learning models extracted from a small multimodal proxy dataset. Our FedMEKT iteratively updates the generalized global encoders with the joint embedding knowledge from the participating clients. Thereby, to address the modality discrepancy and labeled data constraint in existing FL systems, our proposed FedMEKT comprises local multimodal autoencoder learning, generalized multimodal autoencoder construction, and generalized classifier learning. Through extensive experiments on three multimodal human activity recognition datasets, we demonstrate that FedMEKT achieves superior global encoder performance on linear evaluation and guarantees user privacy for personal data and model parameters while demanding less communication cost than other baselines.
Gait Cycle-Inspired Learning Strategy for Continuous Prediction of Knee Joint Trajectory from sEMG
Authors: Xueming Fu, Hao Zheng, Luyan Liu, Wenjuan Zhong, Haowen Liu, Wenxuan Xiong, Yuyang Zhang, Yifeng Chen, Dong Wei, Mingjie Dong, Yefeng Zheng, Mingming Zhang
Date: 2023-07-25 00:00:00

Predicting lower limb motion intent is vital for controlling exoskeleton robots and prosthetic limbs. Surface electromyography (sEMG) attracts increasing attention in recent years as it enables ahead-of-time prediction of motion intentions before actual movement. However, the estimation performance of human joint trajectory remains a challenging problem due to the inter- and intra-subject variations. The former is related to physiological differences (such as height and weight) and preferred walking patterns of individuals, while the latter is mainly caused by irregular and gait-irrelevant muscle activity. This paper proposes a model integrating two gait cycle-inspired learning strategies to mitigate the challenge for predicting human knee joint trajectory. The first strategy is to decouple knee joint angles into motion patterns and amplitudes former exhibit low variability while latter show high variability among individuals. By learning through separate network entities, the model manages to capture both the common and personalized gait features. In the second, muscle principal activation masks are extracted from gait cycles in a prolonged walk. These masks are used to filter out components unrelated to walking from raw sEMG and provide auxiliary guidance to capture more gait-related features. Experimental results indicate that our model could predict knee angles with the average root mean square error (RMSE) of 3.03(0.49) degrees and 50ms ahead of time. To our knowledge this is the best performance in relevant literatures that has been reported, with reduced RMSE by at least 9.5%.
Counterfactual Explanation Policies in RL
Authors: Shripad V. Deshmukh, Srivatsan R, Supriti Vijay, Jayakumar Subramanian, Chirag Agarwal
Date: 2023-07-25 00:00:00
Tasks: counterfactual, Counterfactual Explanation, Decision Making, Reinforcement Learning (RL)

As Reinforcement Learning (RL) agents are increasingly employed in diverse decision-making problems using reward preferences, it becomes important to ensure that policies learned by these frameworks in mapping observations to a probability distribution of the possible actions are explainable. However, there is little to no work in the systematic understanding of these complex policies in a contrastive manner, i.e., what minimal changes to the policy would improve/worsen its performance to a desired level. In this work, we present COUNTERPOL, the first framework to analyze RL policies using counterfactual explanations in the form of minimal changes to the policy that lead to the desired outcome. We do so by incorporating counterfactuals in supervised learning in RL with the target outcome regulated using desired return. We establish a theoretical connection between Counterpol and widely used trust region-based policy optimization methods in RL. Extensive empirical analysis shows the efficacy of COUNTERPOL in generating explanations for (un)learning skills while keeping close to the original policy. Our results on five different RL environments with diverse state and action spaces demonstrate the utility of counterfactual explanations, paving the way for new frontiers in designing and developing counterfactual policies.
Digital Emotion Regulation on Social Media
Authors: Akriti Verma, Shama Islam, Valeh Moghaddam, Adnan Anwar
Date: 2023-07-25 00:00:00

Emotion regulation is the process of consciously altering one's affective state, that is the underlying emotional state such as happiness, confidence, guilt, anger etc. The ability to effectively regulate emotions is necessary for functioning efficiently in everyday life. Today, the pervasiveness of digital technology is being purposefully employed to modify our affective states, a process known as digital emotion regulation. Understanding digital emotion regulation can help support the rise of ethical technology design, development, and deployment. This article presents an overview of digital emotion regulation in social media applications, as well as a synthesis of recent research on emotion regulation interventions for social media. We share our findings from analysing state-of-the-art literature on how different social media applications are utilised at different stages in the process of emotion regulation.