pwc-archive/papers-with-abstracts huggingface dataset:
Boosting Feedback Efficiency of Interactive Reinforcement Learning by Adaptive Learning from Scores
Authors: Shukai Liu, Chenming Wu, Ying Li, Liangjun Zhang
Date: 2023-07-11 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning

Interactive reinforcement learning has shown promise in learning complex robotic tasks. However, the process can be human-intensive due to the requirement of a large amount of interactive feedback. This paper presents a new method that uses scores provided by humans instead of pairwise preferences to improve the feedback efficiency of interactive reinforcement learning. Our key insight is that scores can yield significantly more data than pairwise preferences. Specifically, we require a teacher to interactively score the full trajectories of an agent to train a behavioral policy in a sparse reward environment. To avoid unstable scores given by humans negatively impacting the training process, we propose an adaptive learning scheme. This enables the learning paradigm to be insensitive to imperfect or unreliable scores. We extensively evaluate our method for robotic locomotion and manipulation tasks. The results show that the proposed method can efficiently learn near-optimal policies by adaptive learning from scores while requiring less feedback compared to pairwise preference learning methods. The source codes are publicly available at https://github.com/SSKKai/Interactive-Scoring-IRL.
Stochastic Nested Compositional Bi-level Optimization for Robust Feature Learning
Authors: Xuxing Chen, Krishnakumar Balasubramanian, Saeed Ghadimi
Date: 2023-07-11 00:00:00

We develop and analyze stochastic approximation algorithms for solving nested compositional bi-level optimization problems. These problems involve a nested composition of $T$ potentially non-convex smooth functions in the upper-level, and a smooth and strongly convex function in the lower-level. Our proposed algorithm does not rely on matrix inversions or mini-batches and can achieve an $\epsilon$-stationary solution with an oracle complexity of approximately $\tilde{O}_T(1/\epsilon^{2})$, assuming the availability of stochastic first-order oracles for the individual functions in the composition and the lower-level, which are unbiased and have bounded moments. Here, $\tilde{O}_T$ hides polylog factors and constants that depend on $T$. The key challenge we address in establishing this result relates to handling three distinct sources of bias in the stochastic gradients. The first source arises from the compositional nature of the upper-level, the second stems from the bi-level structure, and the third emerges due to the utilization of Neumann series approximations to avoid matrix inversion. To demonstrate the effectiveness of our approach, we apply it to the problem of robust feature learning for deep neural networks under covariate shift, showcasing the benefits and advantages of our methodology in that context.
Tracking Most Significant Shifts in Nonparametric Contextual Bandits
Date: 2023-07-11 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Multi-Armed Bandits

We study nonparametric contextual bandits where Lipschitz mean reward functions may change over time. We first establish the minimax dynamic regret rate in this less understood setting in terms of number of changes $L$ and total-variation $V$, both capturing all changes in distribution over context space, and argue that state-of-the-art procedures are suboptimal in this setting. Next, we tend to the question of an adaptivity for this setting, i.e. achieving the minimax rate without knowledge of $L$ or $V$. Quite importantly, we posit that the bandit problem, viewed locally at a given context $X_t$, should not be affected by reward changes in other parts of context space $\cal X$. We therefore propose a notion of change, which we term experienced significant shifts, that better accounts for locality, and thus counts considerably less changes than $L$ and $V$. Furthermore, similar to recent work on non-stationary MAB (Suk & Kpotufe, 2022), experienced significant shifts only count the most significant changes in mean rewards, e.g., severe best-arm changes relevant to observed contexts. Our main result is to show that this more tolerant notion of change can in fact be adapted to.
Predicting small molecules solubilities on endpoint devices using deep ensemble neural networks
Authors: Mayk Caldas Ramos, Andrew D. White
Date: 2023-07-11 00:00:00
Tasks: Computational Efficiency, Molecular Property Prediction, Property Prediction, Uncertainty Quantification

Aqueous solubility is a valuable yet challenging property to predict. Computing solubility using first-principles methods requires accounting for the competing effects of entropy and enthalpy, resulting in long computations for relatively poor accuracy. Data-driven approaches, such as deep learning, offer improved accuracy and computational efficiency but typically lack uncertainty quantification. Additionally, ease of use remains a concern for any computational technique, resulting in the sustained popularity of group-based contribution methods. In this work, we addressed these problems with a deep learning model with predictive uncertainty that runs on a static website (without a server). This approach moves computing needs onto the website visitor without requiring installation, removing the need to pay for and maintain servers. Our model achieves satisfactory results in solubility prediction. Furthermore, we demonstrate how to create molecular property prediction models that balance uncertainty and ease of use. The code is available at https://github.com/ur-whitelab/mol.dev, and the model is usable at https://mol.dev.
Discovering Symbolic Laws Directly from Trajectories with Hamiltonian Graph Neural Networks
Authors: Suresh Bishnoi, Ravinder Bhattoo, Jayadeva, Sayan Ranu, N M Anoop Krishnan
Date: 2023-07-11 00:00:00
Tasks: Graph Neural Network, Symbolic Regression

The time evolution of physical systems is described by differential equations, which depend on abstract quantities like energy and force. Traditionally, these quantities are derived as functionals based on observables such as positions and velocities. Discovering these governing symbolic laws is the key to comprehending the interactions in nature. Here, we present a Hamiltonian graph neural network (HGNN), a physics-enforced GNN that learns the dynamics of systems directly from their trajectory. We demonstrate the performance of HGNN on n-springs, n-pendulums, gravitational systems, and binary Lennard Jones systems; HGNN learns the dynamics in excellent agreement with the ground truth from small amounts of data. We also evaluate the ability of HGNN to generalize to larger system sizes, and to hybrid spring-pendulum system that is a combination of two original systems (spring and pendulum) on which the models are trained independently. Finally, employing symbolic regression on the learned HGNN, we infer the underlying equations relating the energy functionals, even for complex systems such as the binary Lennard-Jones liquid. Our framework facilitates the interpretable discovery of interaction laws directly from physical system trajectories. Furthermore, this approach can be extended to other systems with topology-dependent dynamics, such as cells, polydisperse gels, or deformable bodies.
CareFall: Automatic Fall Detection through Wearable Devices and AI Methods
Authors: Juan Carlos Ruiz-Garcia, Ruben Tolosana, Ruben Vera-Rodriguez, Carlos Moro
Date: 2023-07-11 00:00:00
Tasks: Specificity

The aging population has led to a growing number of falls in our society, affecting global public health worldwide. This paper presents CareFall, an automatic Fall Detection System (FDS) based on wearable devices and Artificial Intelligence (AI) methods. CareFall considers the accelerometer and gyroscope time signals extracted from a smartwatch. Two different approaches are used for feature extraction and classification: i) threshold-based, and ii) machine learning-based. Experimental results on two public databases show that the machine learning-based approach, which combines accelerometer and gyroscope information, outperforms the threshold-based approach in terms of accuracy, sensitivity, and specificity. This research contributes to the design of smart and user-friendly solutions to mitigate the negative consequences of falls among older people.
MAP- and MLE-Based Teaching
Authors: Hans Ulrich Simon, Jan Arne Telle
Date: 2023-07-11 00:00:00

Imagine a learner L who tries to infer a hidden concept from a collection of observations. Building on the work [4] of Ferri et al., we assume the learner to be parameterized by priors P(c) and by c-conditional likelihoods P(z|c) where c ranges over all concepts in a given class C and z ranges over all observations in an observation set Z. L is called a MAP-learner (resp. an MLE-learner) if it thinks of a collection S of observations as a random sample and returns the concept with the maximum a-posteriori probability (resp. the concept which maximizes the c-conditional likelihood of S). Depending on whether L assumes that S is obtained from ordered or unordered sampling resp. from sampling with or without replacement, we can distinguish four different sampling modes. Given a target concept c in C, a teacher for a MAP-learner L aims at finding a smallest collection of observations that causes L to return c. This approach leads in a natural manner to various notions of a MAP- or MLE-teaching dimension of a concept class C. Our main results are: We show that this teaching model has some desirable monotonicity properties. We clarify how the four sampling modes are related to each other. As for the (important!) special case, where concepts are subsets of a domain and observations are 0,1-labeled examples, we obtain some additional results. First of all, we characterize the MAP- and MLE-teaching dimension associated with an optimally parameterized MAP-learner graph-theoretically. From this central result, some other ones are easy to derive. It is shown, for instance, that the MLE-teaching dimension is either equal to the MAP-teaching dimension or exceeds the latter by 1. It is shown furthermore that these dimensions can be bounded from above by the so-called antichain number, the VC-dimension and related combinatorial parameters. Moreover they can be computed in polynomial time.
A Survey From Distributed Machine Learning to Distributed Deep Learning
Authors: Mohammad Dehghani, Zahra Yazdanparast
Date: 2023-07-11 00:00:00
Tasks: Deep Learning, Deep Reinforcement Learning, Survey

Artificial intelligence has made remarkable progress in handling complex tasks, thanks to advances in hardware acceleration and machine learning algorithms. However, to acquire more accurate outcomes and solve more complex issues, algorithms should be trained with more data. Processing this huge amount of data could be time-consuming and require a great deal of computation. To address these issues, distributed machine learning has been proposed, which involves distributing the data and algorithm across several machines. There has been considerable effort put into developing distributed machine learning algorithms, and different methods have been proposed so far. We divide these algorithms in classification and clustering (traditional machine learning), deep learning and deep reinforcement learning groups. Distributed deep learning has gained more attention in recent years and most of the studies have focused on this approach. Therefore, we mostly concentrate on this category. Based on the investigation of the mentioned algorithms, we highlighted the limitations that should be addressed in future research.
Attribute Controlled Dialogue Prompting
Authors: Runcheng Liu, Ahmad Rashid, Ivan Kobyzev, Mehdi Rezagholizadeh, Pascal Poupart
Date: 2023-07-11 00:00:00
Tasks: Attribute, Dialogue Generation

Prompt-tuning has become an increasingly popular parameter-efficient method for adapting large pretrained language models to downstream tasks. However, both discrete prompting and continuous prompting assume fixed prompts for all data samples within a task, neglecting the fact that inputs vary greatly in some tasks such as open-domain dialogue generation. In this paper, we present a novel, instance-specific prompt-tuning algorithm for dialogue generation. Specifically, we generate prompts based on instance-level control code, rather than the conversation history, to explore their impact on controlled dialogue generation. Experiments on popular open-domain dialogue datasets, evaluated on both automated metrics and human evaluation, demonstrate that our method is superior to prompting baselines and comparable to fine-tuning with only 5%-6% of total parameters.
Supervised Attention Using Homophily in Graph Neural Networks
Authors: Michail Chatzianastasis, Giannis Nikolentzos, Michalis Vazirgiannis
Date: 2023-07-11 00:00:00
Tasks: Graph Attention, Node Classification

Graph neural networks have become the standard approach for dealing with learning problems on graphs. Among the different variants of graph neural networks, graph attention networks (GATs) have been applied with great success to different tasks. In the GAT model, each node assigns an importance score to its neighbors using an attention mechanism. However, similar to other graph neural networks, GATs aggregate messages from nodes that belong to different classes, and therefore produce node representations that are not well separated with respect to the different classes, which might hurt their performance. In this work, to alleviate this problem, we propose a new technique that can be incorporated into any graph attention model to encourage higher attention scores between nodes that share the same class label. We evaluate the proposed method on several node classification datasets demonstrating increased performance over standard baseline models.
Reject option models comprising out-of-distribution detection
Authors: Vojtech Franc, Daniel Prusa, Jakub Paplham
Date: 2023-07-11 00:00:00
Tasks: Out-of-Distribution Detection

The optimal prediction strategy for out-of-distribution (OOD) setups is a fundamental question in machine learning. In this paper, we address this question and present several contributions. We propose three reject option models for OOD setups: the Cost-based model, the Bounded TPR-FPR model, and the Bounded Precision-Recall model. These models extend the standard reject option models used in non-OOD setups and define the notion of an optimal OOD selective classifier. We establish that all the proposed models, despite their different formulations, share a common class of optimal strategies. Motivated by the optimal strategy, we introduce double-score OOD methods that leverage uncertainty scores from two chosen OOD detectors: one focused on OOD/ID discrimination and the other on misclassification detection. The experimental results consistently demonstrate the superior performance of this simple strategy compared to state-of-the-art methods. Additionally, we propose novel evaluation metrics derived from the definition of the optimal strategy under the proposed OOD rejection models. These new metrics provide a comprehensive and reliable assessment of OOD methods without the deficiencies observed in existing evaluation approaches.
Membership Inference Attacks on DNNs using Adversarial Perturbations
Authors: Hassan Ali, Adnan Qayyum, Ala Al-Fuqaha, Junaid Qadir
Date: 2023-07-11 00:00:00
Tasks: Inference Attack, Membership Inference Attack

Several membership inference (MI) attacks have been proposed to audit a target DNN. Given a set of subjects, MI attacks tell which subjects the target DNN has seen during training. This work focuses on the post-training MI attacks emphasizing high confidence membership detection -- True Positive Rates (TPR) at low False Positive Rates (FPR). Current works in this category -- likelihood ratio attack (LiRA) and enhanced MI attack (EMIA) -- only perform well on complex datasets (e.g., CIFAR-10 and Imagenet) where the target DNN overfits its train set, but perform poorly on simpler datasets (0% TPR by both attacks on Fashion-MNIST, 2% and 0% TPR respectively by LiRA and EMIA on MNIST at 1% FPR). To address this, firstly, we unify current MI attacks by presenting a framework divided into three stages -- preparation, indication and decision. Secondly, we utilize the framework to propose two novel attacks: (1) Adversarial Membership Inference Attack (AMIA) efficiently utilizes the membership and the non-membership information of the subjects while adversarially minimizing a novel loss function, achieving 6% TPR on both Fashion-MNIST and MNIST datasets; and (2) Enhanced AMIA (E-AMIA) combines EMIA and AMIA to achieve 8% and 4% TPRs on Fashion-MNIST and MNIST datasets respectively, at 1% FPR. Thirdly, we introduce two novel augmented indicators that positively leverage the loss information in the Gaussian neighborhood of a subject. This improves TPR of all four attacks on average by 2.5% and 0.25% respectively on Fashion-MNIST and MNIST datasets at 1% FPR. Finally, we propose simple, yet novel, evaluation metric, the running TPR average (RTA) at a given FPR, that better distinguishes different MI attacks in the low FPR region. We also show that AMIA and E-AMIA are more transferable to the unknown DNNs (other than the target DNN) and are more robust to DP-SGD training as compared to LiRA and EMIA.
Using Linear Regression for Iteratively Training Neural Networks
Authors: Harshad Khadilkar
Date: 2023-07-11 00:00:00
Tasks: regression

We present a simple linear regression based approach for learning the weights and biases of a neural network, as an alternative to standard gradient based backpropagation. The present work is exploratory in nature, and we restrict the description and experiments to (i) simple feedforward neural networks, (ii) scalar (single output) regression problems, and (iii) invertible activation functions. However, the approach is intended to be extensible to larger, more complex architectures. The key idea is the observation that the input to every neuron in a neural network is a linear combination of the activations of neurons in the previous layer, as well as the parameters (weights and biases) of the layer. If we are able to compute the ideal total input values to every neuron by working backwards from the output, we can formulate the learning problem as a linear least squares problem which iterates between updating the parameters and the activation values. We present an explicit algorithm that implements this idea, and we show that (at least for small problems) the approach is more stable and faster than gradient-based methods.
Decorrelation using Optimal Transport
Authors: Malte Algren, John Andrew Raine, Tobias Golling
Date: 2023-07-11 00:00:00
Tasks: Binary Classification, Ethics, Fairness, Normalising Flows

Being able to decorrelate a feature space from protected attributes is an area of active research and study in ethics, fairness, and also natural sciences. We introduce a novel decorrelation method using Convex Neural Optimal Transport Solvers (Cnots) that is able to decorrelate a continuous feature space against protected attributes with optimal transport. We demonstrate how well it performs in the context of jet classification in high energy physics, where classifier scores are desired to be decorrelated from the mass of a jet. The decorrelation achieved in binary classification approaches the levels achieved by the state-of-the-art using conditional normalising flows. When moving to multiclass outputs the optimal transport approach performs significantly better than the state-of-the-art, suggesting substantial gains at decorrelating multidimensional feature spaces.
A Mapping Study of Machine Learning Methods for Remaining Useful Life Estimation of Lead-Acid Batteries
Authors: Sérgio F Chevtchenko, Elisson da Silva Rocha, Bruna Cruz, Ermeson Carneiro de Andrade, Danilo Ricardo Barbosa de Araújo
Date: 2023-07-11 00:00:00
Tasks: Management

Energy storage solutions play an increasingly important role in modern infrastructure and lead-acid batteries are among the most commonly used in the rechargeable category. Due to normal degradation over time, correctly determining the battery's State of Health (SoH) and Remaining Useful Life (RUL) contributes to enhancing predictive maintenance, reliability, and longevity of battery systems. Besides improving the cost savings, correct estimation of the SoH can lead to reduced pollution though reuse of retired batteries. This paper presents a mapping study of the state-of-the-art in machine learning methods for estimating the SoH and RUL of lead-acid batteries. These two indicators are critical in the battery management systems of electric vehicles, renewable energy systems, and other applications that rely heavily on this battery technology. In this study, we analyzed the types of machine learning algorithms employed for estimating SoH and RUL, and evaluated their performance in terms of accuracy and inference time. Additionally, this mapping identifies and analyzes the most commonly used combinations of sensors in specific applications, such as vehicular batteries. The mapping concludes by highlighting potential gaps and opportunities for future research, which lays the foundation for further advancements in the field.
Fast Neural Network Inference on FPGAs for Triggering on Long-Lived Particles at Colliders
Authors: Andrea Coccaro, Francesco Armando Di Bello, Stefano Giagu, Lucrezia Rambelli, Nicola Stocchetti
Date: 2023-07-11 00:00:00
Tasks: CPU, GPU

Experimental particle physics demands a sophisticated trigger and acquisition system capable to efficiently retain the collisions of interest for further investigation. Heterogeneous computing with the employment of FPGA cards may emerge as a trending technology for the triggering strategy of the upcoming high-luminosity program of the Large Hadron Collider at CERN. In this context, we present two machine-learning algorithms for selecting events where neutral long-lived particles decay within the detector volume studying their accuracy and inference time when accelerated on commercially available Xilinx FPGA accelerator cards. The inference time is also confronted with a CPU- and GPU-based hardware setup. The proposed new algorithms are proven efficient for the considered benchmark physics scenario and their accuracy is found to not degrade when accelerated on the FPGA cards. The results indicate that all tested architectures fit within the latency requirements of a second-level trigger farm and that exploiting accelerator technologies for real-time processing of particle-physics collisions is a promising research field that deserves additional investigations, in particular with machine-learning models with a large number of trainable parameters.