pwc-archive/papers-with-abstracts huggingface dataset:
Calibrating Wireless Ray Tracing for Digital Twinning using Local Phase Error Estimates
Authors: Clement Ruah, Osvaldo Simeone, Jakob Hoydis, Bashir Al-Hashimi
Date: 2023-12-19 00:00:00
Tasks: Data Augmentation

Embodying the principle of simulation intelligence, digital twin (DT) systems construct and maintain a high-fidelity virtual model of a physical system. This paper focuses on ray tracing (RT), which is widely seen as an enabling technology for DTs of the radio access network (RAN) segment of next-generation disaggregated wireless systems. RT makes it possible to simulate channel conditions, enabling data augmentation and prediction-based transmission. However, the effectiveness of RT hinges on the adaptation of the electromagnetic properties assumed by the RT to actual channel conditions, a process known as calibration. The main challenge of RT calibration is the fact that small discrepancies in the geometric model fed to the RT software hinder the accuracy of the predicted phases of the simulated propagation paths. Existing solutions to this problem either rely on the channel power profile, hence disregarding phase information, or they operate on the channel responses by assuming the simulated phases to be sufficiently accurate for calibration. This paper proposes a novel channel response-based scheme that, unlike the state of the art, estimates and compensates for the phase errors in the RT-generated channel responses. The proposed approach builds on the variational expectation maximization algorithm with a flexible choice of the prior phase-error distribution that bridges between a deterministic model with no phase errors and a stochastic model with uniform phase errors. The algorithm is computationally efficient, and is demonstrated, by leveraging the open-source differentiable RT software available within the Sionna library, to outperform existing methods in terms of the accuracy of RT predictions.
Online Variational Sequential Monte Carlo
Authors: Alessandro Mastrototaro, Jimmy Olsson
Date: 2023-12-19 00:00:00
Tasks: parameter estimation, State Space Models, Variational Inference

Being the most classical generative model for serial data, state-space models (SSM) are fundamental in AI and statistical machine learning. In SSM, any form of parameter learning or latent state inference typically involves the computation of complex latent-state posteriors. In this work, we build upon the variational sequential Monte Carlo (VSMC) method, which provides computationally efficient and accurate model parameter estimation and Bayesian latent-state inference by combining particle methods and variational inference. While standard VSMC operates in the offline mode, by re-processing repeatedly a given batch of data, we distribute the approximation of the gradient of the VSMC surrogate ELBO in time using stochastic approximation, allowing for online learning in the presence of streams of data. This results in an algorithm, online VSMC, that is capable of performing efficiently, entirely on-the-fly, both parameter estimation and particle proposal adaptation. In addition, we provide rigorous theoretical results describing the algorithm's convergence properties as the number of data tends to infinity as well as numerical illustrations of its excellent convergence properties and usefulness also in batch-processing settings.
Rethinking Randomized Smoothing from the Perspective of Scalability
Authors: Anupriya Kumari, Devansh Bhardwaj, Sukrit Jindal
Date: 2023-12-19 00:00:00
Tasks: Survey

Machine learning models have demonstrated remarkable success across diverse domains but remain vulnerable to adversarial attacks. Empirical defense mechanisms often fail, as new attacks constantly emerge, rendering existing defenses obsolete, shifting the focus to certification-based defenses. Randomized smoothing has emerged as a promising technique among notable advancements. This study reviews the theoretical foundations and empirical effectiveness of randomized smoothing and its derivatives in verifying machine learning classifiers from a perspective of scalability. We provide an in-depth exploration of the fundamental concepts underlying randomized smoothing, highlighting its theoretical guarantees in certifying robustness against adversarial perturbations and discuss the challenges of existing methodologies.
An empirical study of testing machine learning in the wild
Authors: Moses Openja, Foutse khomh, Armstrong Foundjem, Zhen Ming, Jiang, Mouna Abidi, Ahmed E. Hassan
Date: 2023-12-19 00:00:00
Tasks: Autonomous Driving, Fairness, software testing

Recently, machine and deep learning (ML/DL) algorithms have been increasingly adopted in many software systems. Due to their inductive nature, ensuring the quality of these systems remains a significant challenge for the research community. Unlike traditional software built deductively by writing explicit rules, ML/DL systems infer rules from training data. Recent research in ML/DL quality assurance has adapted concepts from traditional software testing, such as mutation testing, to improve reliability. However, it is unclear if these proposed testing techniques are adopted in practice, or if new testing strategies have emerged from real-world ML deployments. There is little empirical evidence about the testing strategies. To fill this gap, we perform the first fine-grained empirical study on ML testing in the wild to identify the ML properties being tested, the testing strategies, and their implementation throughout the ML workflow. We conducted a mixed-methods study to understand ML software testing practices. We analyzed test files and cases from 11 open-source ML/DL projects on GitHub. Using open coding, we manually examined the testing strategies, tested ML properties, and implemented testing methods to understand their practical application in building and releasing ML/DL software systems. Our findings reveal several key insights: 1.) The most common testing strategies, accounting for less than 40%, are Grey-box and White-box methods, such as Negative Testing, Oracle Approximation and Statistical Testing. 2.) A wide range of 17 ML properties are tested, out of which only 20% to 30% are frequently tested, including Consistency, Correctness}, and Efficiency. 3.) Bias and Fairness is more tested in Recommendation, while Security & Privacy is tested in Computer Vision (CV) systems, Application Platforms, and Natural Language Processing (NLP) systems.
Robust Machine Learning by Transforming and Augmenting Imperfect Training Data
Authors: Elliot Creager
Date: 2023-12-19 00:00:00
Tasks: counterfactual, Data Augmentation, Representation Learning

Machine Learning (ML) is an expressive framework for turning data into computer programs. Across many problem domains -- both in industry and policy settings -- the types of computer programs needed for accurate prediction or optimal control are difficult to write by hand. On the other hand, collecting instances of desired system behavior may be relatively more feasible. This makes ML broadly appealing, but also induces data sensitivities that often manifest as unexpected failure modes during deployment. In this sense, the training data available tend to be imperfect for the task at hand. This thesis explores several data sensitivities of modern machine learning and how to address them. We begin by discussing how to prevent ML from codifying prior human discrimination measured in the training data, where we take a fair representation learning approach. We then discuss the problem of learning from data containing spurious features, which provide predictive fidelity during training but are unreliable upon deployment. Here we observe that insofar as standard training methods tend to learn such features, this propensity can be leveraged to search for partitions of training data that expose this inconsistency, ultimately promoting learning algorithms invariant to spurious features. Finally, we turn our attention to reinforcement learning from data with insufficient coverage over all possible states and actions. To address the coverage issue, we discuss how causal priors can be used to model the single-step dynamics of the setting where data are collected. This enables a new type of data augmentation where observed trajectories are stitched together to produce new but plausible counterfactual trajectories.
Observation-Augmented Contextual Multi-Armed Bandits for Robotic Search and Exploration
Authors: Shohei Wakayama, Nisar Ahmed
Date: 2023-12-19 00:00:00
Tasks: Bayesian Inference, Decision Making, Decision Making Under Uncertainty, Multi-Armed Bandits

We introduce a new variant of contextual multi-armed bandits (CMABs) called observation-augmented CMABs (OA-CMABs) wherein a robot uses extra outcome observations from an external information source, e.g. humans. In OA-CMABs, external observations are a function of context features and thus provide evidence on top of observed option outcomes to infer hidden parameters. However, if external data is error-prone, measures must be taken to preserve the correctness of inference. To this end, we derive a robust Bayesian inference process for OA-CMABs based on recently developed probabilistic semantic data association techniques, which handle complex mixture model parameter priors and hybrid discrete-continuous observation likelihoods for semantic external data sources. To cope with combined uncertainties in OA-CMABs, we also derive a new active inference algorithm for optimal option selection based on approximate expected free energy minimization. This generalizes prior work on CMAB active inference by accounting for faulty observations and non-Gaussian distributions. Results for a simulated deep space search site selection problem show that, even if incorrect semantic observations are provided externally, e.g. by scientists, efficient decision-making and robust parameter inference are still achieved in a wide variety of conditions.
Improving the Expressive Power of Deep Neural Networks through Integral Activation Transform
Authors: Zezhong Zhang, Feng Bao, Guannan Zhang
Date: 2023-12-19 00:00:00

The impressive expressive power of deep neural networks (DNNs) underlies their widespread applicability. However, while the theoretical capacity of deep architectures is high, the practical expressive power achieved through successful training often falls short. Building on the insights gained from Neural ODEs, which explore the depth of DNNs as a continuous variable, in this work, we generalize the traditional fully connected DNN through the concept of continuous width. In the Generalized Deep Neural Network (GDNN), the traditional notion of neurons in each layer is replaced by a continuous state function. Using the finite rank parameterization of the weight integral kernel, we establish that GDNN can be obtained by employing the Integral Activation Transform (IAT) as activation layers within the traditional DNN framework. The IAT maps the input vector to a function space using some basis functions, followed by nonlinear activation in the function space, and then extracts information through the integration with another collection of basis functions. A specific variant, IAT-ReLU, featuring the ReLU nonlinearity, serves as a smooth generalization of the scalar ReLU activation. Notably, IAT-ReLU exhibits a continuous activation pattern when continuous basis functions are employed, making it smooth and enhancing the trainability of the DNN. Our numerical experiments demonstrate that IAT-ReLU outperforms regular ReLU in terms of trainability and better smoothness.
Generator Assisted Mixture of Experts For Feature Acquisition in Batch
Authors: Vedang Asgaonkar, Aditya Jain, Abir De
Date: 2023-12-19 00:00:00
Tasks: Mixture-of-Experts

Given a set of observations, feature acquisition is about finding the subset of unobserved features which would enhance accuracy. Such problems have been explored in a sequential setting in prior work. Here, the model receives feedback from every new feature acquired and chooses to explore more features or to predict. However, sequential acquisition is not feasible in some settings where time is of the essence. We consider the problem of feature acquisition in batch, where the subset of features to be queried in batch is chosen based on the currently observed features, and then acquired as a batch, followed by prediction. We solve this problem using several technical innovations. First, we use a feature generator to draw a subset of the synthetic features for some examples, which reduces the cost of oracle queries. Second, to make the feature acquisition problem tractable for the large heterogeneous observed features, we partition the data into buckets, by borrowing tools from locality sensitive hashing and then train a mixture of experts model. Third, we design a tractable lower bound of the original objective. We use a greedy algorithm combined with model training to solve the underlying problem. Experiments with four datasets show that our approach outperforms these methods in terms of trade-off between accuracy and feature acquisition cost.
Leading the Pack: N-player Opponent Shaping
Authors: Alexandra Souly, Timon Willi, Akbir Khan, Robert Kirk, Chris Lu, Edward Grefenstette, Tim Rocktäschel
Date: 2023-12-19 00:00:00

Reinforcement learning solutions have great success in the 2-player general sum setting. In this setting, the paradigm of Opponent Shaping (OS), in which agents account for the learning of their co-players, has led to agents which are able to avoid collectively bad outcomes, whilst also maximizing their reward. These methods have currently been limited to 2-player game. However, the real world involves interactions with many more agents, with interactions on both local and global scales. In this paper, we extend Opponent Shaping (OS) methods to environments involving multiple co-players and multiple shaping agents. We evaluate on over 4 different environments, varying the number of players from 3 to 5, and demonstrate that model-based OS methods converge to equilibrium with better global welfare than naive learning. However, we find that when playing with a large number of co-players, OS methods' relative performance reduces, suggesting that in the limit OS methods may not perform well. Finally, we explore scenarios where more than one OS method is present, noticing that within games requiring a majority of cooperating agents, OS methods converge to outcomes with poor global welfare.
Sample Efficient Reinforcement Learning with Partial Dynamics Knowledge
Authors: Meshal Alharbi, Mardavij Roozbehani, Munther Dahleh
Date: 2023-12-19 00:00:00
Tasks: Q-Learning, reinforcement-learning, Reinforcement Learning

The problem of sample complexity of online reinforcement learning is often studied in the literature without taking into account any partial knowledge about the system dynamics that could potentially accelerate the learning process. In this paper, we study the sample complexity of online Q-learning methods when some prior knowledge about the dynamics is available or can be learned efficiently. We focus on systems that evolve according to an additive disturbance model of the form $S_{h+1} = f(S_h, A_h) + W_h$, where $f$ represents the underlying system dynamics, and $W_h$ are unknown disturbances independent of states and actions. In the setting of finite episodic Markov decision processes with $S$ states, $A$ actions, and episode length $H$, we present an optimistic Q-learning algorithm that achieves $\tilde{\mathcal{O}}(\text{Poly}(H)\sqrt{T})$ regret under perfect knowledge of $f$, where $T$ is the total number of interactions with the system. This is in contrast to the typical $\tilde{\mathcal{O}}(\text{Poly}(H)\sqrt{SAT})$ regret for existing Q-learning methods. Further, if only a noisy estimate $\hat{f}$ of $f$ is available, our method can learn an approximately optimal policy in a number of samples that is independent of the cardinalities of state and action spaces. The sub-optimality gap depends on the approximation error $\hat{f}-f$, as well as the Lipschitz constant of the corresponding optimal value function. Our approach does not require modeling of the transition probabilities and enjoys the same memory complexity as model-free methods.
Blood Glucose Level Prediction: A Graph-based Explainable Method with Federated Learning
Authors: Chengzhe Piao, Ken Li
Date: 2023-12-19 00:00:00
Tasks: Attribute, Federated Learning, Graph Attention

In the UK, approximately 400,000 people with type 1 diabetes (T1D) rely on insulin delivery due to insufficient pancreatic insulin production. Managing blood glucose (BG) levels is crucial, with continuous glucose monitoring (CGM) playing a key role. CGM, tracking BG every 5 minutes, enables effective blood glucose level prediction (BGLP) by considering factors like carbohydrate intake and insulin delivery. Recent research has focused on developing sequential models for BGLP using historical BG data, incorporating additional attributes such as carbohydrate intake, insulin delivery, and time. These methods have shown notable success in BGLP, with some providing temporal explanations. However, they often lack clear correlations between attributes and their impact on BGLP. Additionally, some methods raise privacy concerns by aggregating participant data to learn population patterns. Addressing these limitations, we introduced a graph attentive memory (GAM) model, combining a graph attention network (GAT) with a gated recurrent unit (GRU). GAT applies graph attention to model attribute correlations, offering transparent, dynamic attribute relationships. Attention weights dynamically gauge attribute significance over time. To ensure privacy, we employed federated learning (FL), facilitating secure population pattern analysis. Our method was validated using the OhioT1DM'18 and OhioT1DM'20 datasets from 12 participants, focusing on 6 key attributes. We demonstrated our model's stability and effectiveness through hyperparameter impact analysis.
SkyMask: Attack-agnostic Robust Federated Learning with Fine-grained Learnable Masks
Authors: Peishen Yan, Hao Wang, Tao Song, Yang Hua, Ruhui Ma, Ningxin Hu, Mohammad R. Haghighat, Haibing Guan
Date: 2023-12-19 00:00:00
Tasks: Federated Learning

Federated Learning (FL) is becoming a popular paradigm for leveraging distributed data and preserving data privacy. However, due to the distributed characteristic, FL systems are vulnerable to Byzantine attacks that compromised clients attack the global model by uploading malicious model updates. With the development of layer-level and parameter-level fine-grained attacks, the attacks' stealthiness and effectiveness have been significantly improved. The existing defense mechanisms solely analyze the model-level statistics of individual model updates uploaded by clients to mitigate Byzantine attacks, which are ineffective against fine-grained attacks due to unawareness or overreaction. To address this problem, we propose SkyMask, a new attack-agnostic robust FL system that firstly leverages fine-grained learnable masks to identify malicious model updates at the parameter level. Specifically, the FL server freezes and multiplies the model updates uploaded by clients with the parameter-level masks, and trains the masks over a small clean dataset (i.e., root dataset) to learn the subtle difference between benign and malicious model updates in a high-dimension space. Our extensive experiments involve different models on three public datasets under state-of-the-art (SOTA) attacks, where the results show that SkyMask achieves up to 14% higher testing accuracy compared with SOTA defense strategies under the same attacks and successfully defends against attacks with malicious clients of a high fraction up to 80%. Code is available at https://github.com/KoalaYan/SkyMask.
New Horizons: Pioneering Pharmaceutical R&D with Generative AI from lab to the clinic -- an industry perspective
Authors: Guy Doron, Sam Genway, Mark Roberts, Sai Jasti
Date: 2023-12-19 00:00:00

The rapid advance of generative AI is reshaping the strategic vision for R&D across industries. The unique challenges of pharmaceutical R&D will see applications of generative AI deliver value along the entire value chain from early discovery to regulatory approval. This perspective reviews these challenges and takes a three-horizon approach to explore the generative AI applications already delivering impact, the disruptive opportunities which are just around the corner, and the longer-term transformation which will shape the future of the industry. Selected applications are reviewed for their potential to drive increase productivity, accelerate timelines, improve the quality of research, data and decision making, and support a sustainable future for the industry. Recommendations are given for Pharma R&D leaders developing a generative AI strategy today which will lay the groundwork for getting real value from the technology and safeguarding future growth. Generative AI is today providing new, efficient routes to accessing and combining organisational data to drive productivity. Next, this impact will reach clinical development, enhancing the patient experience, driving operational efficiency, and unlocking digital innovation to better tackle the future burden of disease. Looking to the furthest horizon, rapid acquisition of rich multi-omics data, which capture the 'language of life', in combination with next generation AI technologies will allow organisations to close the loop around phases of the pipeline through rapid, automated generation and testing of hypotheses from bench to bedside. This provides a vision for the future of R&D with sustainability at the core, with reduced timescales and reduced dependency on resources, while offering new hope to patients to treat the untreatable and ultimately cure diseases.
DSAF: A Dual-Stage Adaptive Framework for Numerical Weather Prediction Downscaling
Authors: Pengwei Liu, Wenwei Wang, Bingqing Peng, Binqing Wu, Liang Sun
Date: 2023-12-19 00:00:00
Tasks: Multi-Task Learning, Weather Forecasting

While widely recognized as one of the most substantial weather forecasting methodologies, Numerical Weather Prediction (NWP) usually suffers from relatively coarse resolution and inevitable bias due to tempo-spatial discretization, physical parametrization process, and computation limitation. With the roaring growth of deep learning-based techniques, we propose the Dual-Stage Adaptive Framework (DSAF), a novel framework to address regional NWP downscaling and bias correction tasks. DSAF uniquely incorporates adaptive elements in its design to ensure a flexible response to evolving weather conditions. Specifically, NWP downscaling and correction are well-decoupled in the framework and can be applied independently, which strategically guides the optimization trajectory of the model. Utilizing a multi-task learning mechanism and an uncertainty-weighted loss function, DSAF facilitates balanced training across various weather factors. Additionally, our specifically designed attention-centric learnable module effectively integrates geographic information, proficiently managing complex interrelationships. Experimental validation on the ECMWF operational forecast (HRES) and reanalysis (ERA5) archive demonstrates DSAF's superior performance over existing state-of-the-art models and shows substantial improvements when existing models are augmented using our proposed modules. Code is publicly available at https://github.com/pengwei07/DSAF.