pwc-archive/papers-with-abstracts huggingface dataset:
Interpretable Predictive Models for Healthcare via Rational Logistic Regression
Authors: Thiti Suttaket, L Vivek Harsha Vardhan, Stanley Kok
Date: 2024-11-05 00:00:00
Tasks: Deep Learning, Inductive Bias, regression

The healthcare sector has experienced a rapid accumulation of digital data recently, especially in the form of electronic health records (EHRs). EHRs constitute a precious resource that IS researchers could utilize for clinical applications (e.g., morbidity prediction). Deep learning seems like the obvious choice to exploit this surfeit of data. However, numerous studies have shown that deep learning does not enjoy the same kind of success on EHR data as it has in other domains; simple models like logistic regression are frequently as good as sophisticated deep learning ones. Inspired by this observation, we develop a novel model called rational logistic regression (RLR) that has standard logistic regression (LR) as its special case (and thus inherits LR's inductive bias that aligns with EHR data). RLR has rational series as its theoretical underpinnings, works on longitudinal time-series data, and learns interpretable patterns. Empirical comparisons on real-world clinical tasks demonstrate RLR's efficacy.
A Personal data Value at Risk Approach
Authors: Luis Enriquez
Date: 2024-11-05 00:00:00
Tasks: Management

What if the main data protection vulnerability is risk management? Data Protection merges three disciplines: data protection law, information security, and risk management. Nonetheless, very little research has been made on the field of data protection risk management, where subjectivity and superficiality are the dominant state of the art. Since the GDPR tells you what to do, but not how to do it, the solution for approaching GDPR compliance is still a gray zone, where the trend is using the rule of thumb. Considering that the most important goal of risk management is to reduce uncertainty in order to take informed decisions, risk management for the protection of the rights and freedoms of the data subjects cannot be disconnected from the impact materialization that data controllers and processors need to assess. This paper proposes a quantitative approach to data protection risk-based compliance from a data controllers perspective, with the aim of proposing a mindset change, where data protection impact assessments can be improved by using data protection analytics, quantitative risk analysis, and calibrating expert opinions.
Online Data Collection for Efficient Semiparametric Inference
Authors: Shantanu Gupta, Zachary C. Lipton, David Childers
Date: 2024-11-05 00:00:00

While many works have studied statistical data fusion, they typically assume that the various datasets are given in advance. However, in practice, estimation requires difficult data collection decisions like determining the available data sources, their costs, and how many samples to collect from each source. Moreover, this process is often sequential because the data collected at a given time can improve collection decisions in the future. In our setup, given access to multiple data sources and budget constraints, the agent must sequentially decide which data source to query to efficiently estimate a target parameter. We formalize this task using Online Moment Selection, a semiparametric framework that applies to any parameter identified by a set of moment conditions. Interestingly, the optimal budget allocation depends on the (unknown) true parameters. We present two online data collection policies, Explore-then-Commit and Explore-then-Greedy, that use the parameter estimates at a given time to optimally allocate the remaining budget in the future steps. We prove that both policies achieve zero regret (assessed by asymptotic MSE) relative to an oracle policy. We empirically validate our methods on both synthetic and real-world causal effect estimation tasks, demonstrating that the online data collection policies outperform their fixed counterparts.
Insights into Lunar Mineralogy: An Unsupervised Approach for Clustering of the Moon Mineral Mapper (M3) spectral data
Authors: Freja Thoresen, Igor Drozdovskiy, Aidan Cowley, Magdelena Laban, Sebastien Besse, Sylvain Blunier
Date: 2024-11-05 00:00:00

This paper presents a novel method for mapping spectral features of the Moon using machine learning-based clustering of hyperspectral data from the Moon Mineral Mapper (M3) imaging spectrometer. The method uses a convolutional variational autoencoder to reduce the dimensionality of the spectral data and extract features of the spectra. Then, a k-means algorithm is applied to cluster the latent variables into five distinct groups, corresponding to dominant spectral features, which are related to the mineral composition of the Moon's surface. The resulting global spectral cluster map shows the distribution of the five clusters on the Moon, which consist of a mixture of, among others, plagioclase, pyroxene, olivine, and Fe-bearing minerals across the Moon's surface. The clusters are compared to the mineral maps from the Kaguya mission, which showed that the locations of the clusters overlap with the locations of high wt% of minerals such as plagioclase, clinopyroxene, and olivine. The paper demonstrates the usefulness of unbiased unsupervised learning for lunar mineral exploration and provides a comprehensive analysis of lunar mineralogy.
Blind Estimation of Sub-band Acoustic Parameters from Ambisonics Recordings using Spectro-Spatial Covariance Features
Authors: Hanyu Meng, Jeroen Breebaart, Jeremy Stoddard, Vidhyasaharan Sethu, Eliathamby Ambikairajah
Date: 2024-11-05 00:00:00

Estimating frequency-varying acoustic parameters is essential for enhancing immersive perception in realistic spatial audio creation. In this paper, we propose a unified framework that blindly estimates reverberation time (T60), direct-to-reverberant ratio (DRR), and clarity (C50) across 10 frequency bands using first-order Ambisonics (FOA) speech recordings as inputs. The proposed framework utilizes a novel feature named Spectro-Spatial Covariance Vector (SSCV), efficiently representing temporal, spectral as well as spatial information of the FOA signal. Our models significantly outperform existing single-channel methods with only spectral information, reducing estimation errors by more than half for all three acoustic parameters. Additionally, we introduce FOA-Conv3D, a novel back-end network for effectively utilising the SSCV feature with a 3D convolutional encoder. FOA-Conv3D outperforms the convolutional neural network (CNN) and recurrent convolutional neural network (CRNN) backends, achieving lower estimation errors and accounting for a higher proportion of variance (PoV) for all 3 acoustic parameters.
Efficient Hamiltonian, structure and trace distance learning of Gaussian states
Authors: Marco Fanizza, Cambyse Rouzé, Daniel Stilck França
Date: 2024-11-05 00:00:00

In this work, we initiate the study of Hamiltonian learning for positive temperature bosonic Gaussian states, the quantum generalization of the widely studied problem of learning Gaussian graphical models. We obtain efficient protocols, both in sample and computational complexity, for the task of inferring the parameters of their underlying quadratic Hamiltonian under the assumption of bounded temperature, squeezing, displacement and maximal degree of the interaction graph. Our protocol only requires heterodyne measurements, which are often experimentally feasible, and has a sample complexity that scales logarithmically with the number of modes. Furthermore, we show that it is possible to learn the underlying interaction graph in a similar setting and sample complexity. Taken together, our results put the status of the quantum Hamiltonian learning problem for continuous variable systems in a more advanced state when compared to spins, where state-of-the-art results are either unavailable or quantitatively inferior to ours. In addition, we use our techniques to obtain the first results on learning Gaussian states in trace distance with a quadratic scaling in precision and polynomial in the number of modes, albeit imposing certain restrictions on the Gaussian states. Our main technical innovations are several continuity bounds for the covariance and Hamiltonian matrix of a Gaussian state, which are of independent interest, combined with what we call the local inversion technique. In essence, the local inversion technique allows us to reliably infer the Hamiltonian of a Gaussian state by only estimating in parallel submatrices of the covariance matrix whose size scales with the desired precision, but not the number of modes. This way we bypass the need to obtain precise global estimates of the covariance matrix, controlling the sample complexity.
A Machine Learning Approach for the Efficient Estimation of Ground-Level Air Temperature in Urban Areas
Authors: Iñigo Delgado-Enales, Joshua Lizundia-Loiola, Patricia Molina-Costa, Javier Del Ser
Date: 2024-11-05 00:00:00

The increasingly populated cities of the 21st Century face the challenge of being sustainable and resilient spaces for their inhabitants. However, climate change, among other problems, makes these objectives difficult to achieve. The Urban Heat Island (UHI) phenomenon that occurs in cities, increasing their thermal stress, is one of the stumbling blocks to achieve a more sustainable city. The ability to estimate temperatures with a high degree of accuracy allows for the identification of the highest priority areas in cities where urban improvements need to be made to reduce thermal discomfort. In this work we explore the usefulness of image-to-image deep neural networks (DNNs) for correlating spatial and meteorological variables of a urban area with street-level air temperature. The air temperature at street-level is estimated both spatially and temporally for a specific use case, and compared with existing, well-established numerical models. Based on the obtained results, deep neural networks are confirmed to be faster and less computationally expensive alternative for ground-level air temperature compared to numerical models.
Unleashing the power of novel conditional generative approaches for new materials discovery
Authors: Lev Novitskiy, Vladimir Lazarev, Mikhail Tiutiulnikov, Nikita Vakhrameev, Roman Eremin, Innokentiy Humonen, Andrey Kuznetsov, Denis Dimitrov, Semen Budennyy
Date: 2024-11-05 00:00:00
Tasks: Formation Energy

For a very long time, computational approaches to the design of new materials have relied on an iterative process of finding a candidate material and modeling its properties. AI has played a crucial role in this regard, helping to accelerate the discovery and optimization of crystal properties and structures through advanced computational methodologies and data-driven approaches. To address the problem of new materials design and fasten the process of new materials search, we have applied latest generative approaches to the problem of crystal structure design, trying to solve the inverse problem: by given properties generate a structure that satisfies them without utilizing supercomputer powers. In our work we propose two approaches: 1) conditional structure modification: optimization of the stability of an arbitrary atomic configuration, using the energy difference between the most energetically favorable structure and all its less stable polymorphs and 2) conditional structure generation. We used a representation for materials that includes the following information: lattice, atom coordinates, atom types, chemical features, space group and formation energy of the structure. The loss function was optimized to take into account the periodic boundary conditions of crystal structures. We have applied Diffusion models approach, Flow matching, usual Autoencoder (AE) and compared the results of the models and approaches. As a metric for the study, physical PyMatGen matcher was employed: we compare target structure with generated one using default tolerances. So far, our modifier and generator produce structures with needed properties with accuracy 41% and 82% respectively. To prove the offered methodology efficiency, inference have been carried out, resulting in several potentially new structures with formation energy below the AFLOW-derived convex hulls.
Receiver-Centric Generative Semantic Communications
Authors: Xunze Liu, Yifei Sun, Zhaorui Wang, Lizhao You, Haoyuan Pan, Fangxin Wang, Shuguang Cui
Date: 2024-11-05 00:00:00
Tasks: Semantic Communication

This paper investigates semantic communications between a transmitter and a receiver, where original data, such as videos of interest to the receiver, is stored at the transmitter. Although significant process has been made in semantic communications, a fundamental design problem is that the semantic information is extracted based on certain criteria at the transmitter alone, without considering the receiver's specific information needs. As a result, critical information of primary concern to the receiver may be lost. In such cases, the semantic transmission becomes meaningless to the receiver, as all received information is irrelevant to its interests. To solve this problem, this paper presents a receiver-centric generative semantic communication system, where each transmission is initialized by the receiver. Specifically, the receiver first sends its request for the desired semantic information to the transmitter at the start of each transmission. Then, the transmitter extracts the required semantic information accordingly. A key challenge is how the transmitter understands the receiver's requests for semantic information and extracts the required semantic information in a reasonable and robust manner. We address this challenge by designing a well-structured framework and leveraging off-the-shelf generative AI products, such as GPT-4, along with several specialized tools for detection and estimation. Evaluation results demonstrate the feasibility and effectiveness of the proposed new semantic communication system.
Near-Optimal Dynamic Regret for Adversarial Linear Mixture MDPs
Authors: Long-Fei Li, Peng Zhao, Zhi-Hua Zhou
Date: 2024-11-05 00:00:00
Tasks: global-optimization

We study episodic linear mixture MDPs with the unknown transition and adversarial rewards under full-information feedback, employing dynamic regret as the performance measure. We start with in-depth analyses of the strengths and limitations of the two most popular methods: occupancy-measure-based and policy-based methods. We observe that while the occupancy-measure-based method is effective in addressing non-stationary environments, it encounters difficulties with the unknown transition. In contrast, the policy-based method can deal with the unknown transition effectively but faces challenges in handling non-stationary environments. Building on this, we propose a novel algorithm that combines the benefits of both methods. Specifically, it employs (i) an occupancy-measure-based global optimization with a two-layer structure to handle non-stationary environments; and (ii) a policy-based variance-aware value-targeted regression to tackle the unknown transition. We bridge these two parts by a novel conversion. Our algorithm enjoys an $\widetilde{\mathcal{O}}(d \sqrt{H^3 K} + \sqrt{HK(H + \bar{P}_K)})$ dynamic regret, where $d$ is the feature dimension, $H$ is the episode length, $K$ is the number of episodes, $\bar{P}_K$ is the non-stationarity measure. We show it is minimax optimal up to logarithmic factors by establishing a matching lower bound. To the best of our knowledge, this is the first work that achieves near-optimal dynamic regret for adversarial linear mixture MDPs with the unknown transition without prior knowledge of the non-stationarity measure.
Correlating Variational Autoencoders Natively For Multi-View Imputation
Authors: Ella S. C. Orme, Marina Evangelou, Ulrich Paquet
Date: 2024-11-05 00:00:00
Tasks: Imputation

Multi-view data from the same source often exhibit correlation. This is mirrored in correlation between the latent spaces of separate variational autoencoders (VAEs) trained on each data-view. A multi-view VAE approach is proposed that incorporates a joint prior with a non-zero correlation structure between the latent spaces of the VAEs. By enforcing such correlation structure, more strongly correlated latent spaces are uncovered. Using conditional distributions to move between these latent spaces, missing views can be imputed and used for downstream analysis. Learning this correlation structure involves maintaining validity of the prior distribution, as well as a successful parameterization that allows end-to-end learning.
Speech Separation with Pretrained Frontend to Minimize Domain Mismatch
Authors: Wupeng Wang, Zexu Pan, Xinke Li, Shuai Wang, Haizhou Li
Date: 2024-11-05 00:00:00
Tasks: Speech Separation

Speech separation seeks to separate individual speech signals from a speech mixture. Typically, most separation models are trained on synthetic data due to the unavailability of target reference in real-world cocktail party scenarios. As a result, there exists a domain gap between real and synthetic data when deploying speech separation models in real-world applications. In this paper, we propose a self-supervised domain-invariant pretrained (DIP) frontend that is exposed to mixture data without the need for target reference speech. The DIP frontend utilizes a Siamese network with two innovative pretext tasks, mixture predictive coding (MPC) and mixture invariant coding (MIC), to capture shared contextual cues between real and synthetic unlabeled mixtures. Subsequently, we freeze the DIP frontend as a feature extractor when training the downstream speech separation models on synthetic data. By pretraining the DIP frontend with the contextual cues, we expect that the speech separation skills learned from synthetic data can be effectively transferred to real data. To benefit from the DIP frontend, we introduce a novel separation pipeline to align the feature resolution of the separation models. We evaluate the speech separation quality on standard benchmarks and real-world datasets. The results confirm the superiority of our DIP frontend over existing speech separation models. This study underscores the potential of large-scale pretraining to enhance the quality and intelligibility of speech separation in real-world applications.
Alpha and Prejudice: Improving $α$-sized Worst-case Fairness via Intrinsic Reweighting
Authors: Jing Li, Yinghua Yao, Yuangang Pan, Xuanqian Wang, Ivor W. Tsang, Xiuju Fu
Date: 2024-11-05 00:00:00
Tasks: Fairness

Worst-case fairness with off-the-shelf demographics achieves group parity by maximizing the model utility of the worst-off group. Nevertheless, demographic information is often unavailable in practical scenarios, which impedes the use of such a direct max-min formulation. Recent advances have reframed this learning problem by introducing the lower bound of minimal partition ratio, denoted as $\alpha$, as side information, referred to as ``$\alpha$-sized worst-case fairness'' in this paper. We first justify the practical significance of this setting by presenting noteworthy evidence from the data privacy perspective, which has been overlooked by existing research. Without imposing specific requirements on loss functions, we propose reweighting the training samples based on their intrinsic importance to fairness. Given the global nature of the worst-case formulation, we further develop a stochastic learning scheme to simplify the training process without compromising model performance. Additionally, we address the issue of outliers and provide a robust variant to handle potential outliers during model training. Our theoretical analysis and experimental observations reveal the connections between the proposed approaches and existing ``fairness-through-reweighting'' studies, with extensive experimental results on fairness benchmarks demonstrating the superiority of our methods.
Can Transformers Smell Like Humans?
Authors: Farzaneh Taleb, Miguel Vasco, Antônio H. Ribeiro, Mårten Björkman, Danica Kragic
Date: 2024-11-05 00:00:00

The human brain encodes stimuli from the environment into representations that form a sensory perception of the world. Despite recent advances in understanding visual and auditory perception, olfactory perception remains an under-explored topic in the machine learning community due to the lack of large-scale datasets annotated with labels of human olfactory perception. In this work, we ask the question of whether pre-trained transformer models of chemical structures encode representations that are aligned with human olfactory perception, i.e., can transformers smell like humans? We demonstrate that representations encoded from transformers pre-trained on general chemical structures are highly aligned with human olfactory perception. We use multiple datasets and different types of perceptual representations to show that the representations encoded by transformer models are able to predict: (i) labels associated with odorants provided by experts; (ii) continuous ratings provided by human participants with respect to pre-defined descriptors; and (iii) similarity ratings between odorants provided by human participants. Finally, we evaluate the extent to which this alignment is associated with physicochemical features of odorants known to be relevant for olfactory decoding.
Graph Agnostic Causal Bayesian Optimisation
Authors: Sumantrak Mukherjee, Mengyan Zhang, Seth Flaxman, Sebastian Josef Vollmer
Date: 2024-11-05 00:00:00
Tasks: Bayesian Optimisation, Bayesian Optimization

We study the problem of globally optimising a target variable of an unknown causal graph on which a sequence of soft or hard interventions can be performed. The problem of optimising the target variable associated with a causal graph is formalised as Causal Bayesian Optimisation (CBO). We study the CBO problem under the cumulative regret objective with unknown causal graphs for two settings, namely structural causal models with hard interventions and function networks with soft interventions. We propose Graph Agnostic Causal Bayesian Optimisation (GACBO), an algorithm that actively discovers the causal structure that contributes to achieving optimal rewards. GACBO seeks to balance exploiting the actions that give the best rewards against exploring the causal structures and functions. To the best of our knowledge, our work is the first to study causal Bayesian optimization with cumulative regret objectives in scenarios where the graph is unknown or partially known. We show our proposed algorithm outperforms baselines in simulated experiments and real-world applications.
Testing Generalizability in Causal Inference
Authors: Daniel de Vassimon Manela, Linying Yang, Robin J. Evans
Date: 2024-11-05 00:00:00
Tasks: Causal Inference, Decision Making

Ensuring robust model performance in diverse real-world scenarios requires addressing generalizability across domains with covariate shifts. However, no formal procedure exists for statistically evaluating generalizability in machine learning algorithms. Existing predictive metrics like mean squared error (MSE) help to quantify the relative performance between models, but do not directly answer whether a model can or cannot generalize. To address this gap in the domain of causal inference, we propose a systematic framework for statistically evaluating the generalizability of high-dimensional causal inference models. Our approach uses the frugal parameterization to flexibly simulate from fully and semi-synthetic causal benchmarks, offering a comprehensive evaluation for both mean and distributional regression methods. Grounded in real-world data, our method ensures more realistic evaluations, which is often missing in current work relying on simplified datasets. Furthermore, using simulations and statistical testing, our framework is robust and avoids over-reliance on conventional metrics, providing statistical safeguards for decision making.