pwc-archive/papers-with-abstracts huggingface dataset:
Mutual Information Estimation via $f$-Divergence and Data Derangements
Authors: Nunzio A. Letizia, Nicola Novello, Andrea M. Tonello
Date: 2023-05-31 00:00:00
Tasks: Mutual Information Estimation

Estimating mutual information accurately is pivotal across diverse applications, from machine learning to communications and biology, enabling us to gain insights into the inner mechanisms of complex systems. Yet, dealing with high-dimensional data presents a formidable challenge, due to its size and the presence of intricate relationships. Recently proposed neural methods employing variational lower bounds on the mutual information have gained prominence. However, these approaches suffer from either high bias or high variance, as the sample size and the structure of the loss function directly influence the training process. In this paper, we propose a novel class of discriminative mutual information estimators based on the variational representation of the $f$-divergence. We investigate the impact of the permutation function used to obtain the marginal training samples and present a novel architectural solution based on derangements. The proposed estimator is flexible since it exhibits an excellent bias/variance trade-off. The comparison with state-of-the-art neural estimators, through extensive experimentation within established reference scenarios, shows that our approach offers higher accuracy and lower complexity.
Constrained Causal Bayesian Optimization
Authors: Virginia Aglietti, Alan Malek, Ira Ktena, Silvia Chiappa
Date: 2023-05-31 00:00:00
Tasks: Bayesian Optimization, Gaussian Processes

We propose constrained causal Bayesian optimization (cCBO), an approach for finding interventions in a known causal graph that optimize a target variable under some constraints. cCBO first reduces the search space by exploiting the graph structure and, if available, an observational dataset; and then solves the restricted optimization problem by modelling target and constraint quantities using Gaussian processes and by sequentially selecting interventions via a constrained expected improvement acquisition function. We propose different surrogate models that enable to integrate observational and interventional data while capturing correlation among effects with increasing levels of sophistication. We evaluate cCBO on artificial and real-world causal graphs showing successful trade off between fast convergence and percentage of feasible interventions.
Learning to solve Bayesian inverse problems: An amortized variational inference approach using Gaussian and Flow guides
Authors: Sharmila Karumuri, Ilias Bilionis
Date: 2023-05-31 00:00:00
Tasks: Medical Diagnosis, Variational Inference

Inverse problems, i.e., estimating parameters of physical models from experimental data, are ubiquitous in science and engineering. The Bayesian formulation is the gold standard because it alleviates ill-posedness issues and quantifies epistemic uncertainty. Since analytical posteriors are not typically available, one resorts to Markov chain Monte Carlo sampling or approximate variational inference. However, inference needs to be rerun from scratch for each new set of data. This drawback limits the applicability of the Bayesian formulation to real-time settings, e.g., health monitoring of engineered systems, and medical diagnosis. The objective of this paper is to develop a methodology that enables real-time inference by learning the Bayesian inverse map, i.e., the map from data to posteriors. Our approach is as follows. We parameterize the posterior distribution as a function of data. This work outlines two distinct approaches to do this. The first method involves parameterizing the posterior using an amortized full-rank Gaussian guide, implemented through neural networks. The second method utilizes a Conditional Normalizing Flow guide, employing conditional invertible neural networks for cases where the target posterior is arbitrarily complex. In both approaches, we learn the network parameters by amortized variational inference which involves maximizing the expectation of evidence lower bound over all possible datasets compatible with the model. We demonstrate our approach by solving a set of benchmark problems from science and engineering. Our results show that the posterior estimates of our approach are in agreement with the corresponding ground truth obtained by Markov chain Monte Carlo. Once trained, our approach provides the posterior distribution for a given observation just at the cost of a forward pass of the neural network.
A Novel Black Box Process Quality Optimization Approach based on Hit Rate
Authors: Yang Yang, Jian Wu, Xiangman Song, Derun Wu, Lijie Su, Lixin Tang
Date: 2023-05-31 00:00:00

Hit rate is a key performance metric in predicting process product quality in integrated industrial processes. It represents the percentage of products accepted by downstream processes within a controlled range of quality. However, optimizing hit rate is a non-convex and challenging problem. To address this issue, we propose a data-driven quasi-convex approach that combines factorial hidden Markov models, multitask elastic net, and quasi-convex optimization. Our approach converts the original non-convex problem into a set of convex feasible problems, achieving an optimal hit rate. We verify the convex optimization property and quasi-convex frontier through Monte Carlo simulations and real-world experiments in steel production. Results demonstrate that our approach outperforms classical models, improving hit rates by at least 41.11% and 31.01% on two real datasets. Furthermore, the quasi-convex frontier provides a reference explanation and visualization for the deterioration of solutions obtained by conventional models.
Representer Point Selection for Explaining Regularized High-dimensional Models
Authors: Che-Ping Tsai, Jiong Zhang, Eli Chien, Hsiang-Fu Yu, Cho-Jui Hsieh, Pradeep Ravikumar
Date: 2023-05-31 00:00:00
Tasks: Binary Classification, Collaborative Filtering, Recommendation Systems

We introduce a novel class of sample-based explanations we term high-dimensional representers, that can be used to explain the predictions of a regularized high-dimensional model in terms of importance weights for each of the training samples. Our workhorse is a novel representer theorem for general regularized high-dimensional models, which decomposes the model prediction in terms of contributions from each of the training samples: with positive (negative) values corresponding to positive (negative) impact training samples to the model's prediction. We derive consequences for the canonical instances of $\ell_1$ regularized sparse models, and nuclear norm regularized low-rank models. As a case study, we further investigate the application of low-rank models in the context of collaborative filtering, where we instantiate high-dimensional representers for specific popular classes of models. Finally, we study the empirical performance of our proposed methods on three real-world binary classification datasets and two recommender system datasets. We also showcase the utility of high-dimensional representers in explaining model recommendations.
Efficient Shapley Values Estimation by Amortization for Text Classification
Authors: Chenghao Yang, Fan Yin, He He, Kai-Wei Chang, Xiaofei Ma, Bing Xiang
Date: 2023-05-31 00:00:00
Tasks: Classification, text-classification, Text Classification

Despite the popularity of Shapley Values in explaining neural text classification models, computing them is prohibitive for large pretrained models due to a large number of model evaluations. In practice, Shapley Values are often estimated with a small number of stochastic model evaluations. However, we show that the estimated Shapley Values are sensitive to random seed choices -- the top-ranked features often have little overlap across different seeds, especially on examples with longer input texts. This can only be mitigated by aggregating thousands of model evaluations, which on the other hand, induces substantial computational overheads. To mitigate the trade-off between stability and efficiency, we develop an amortized model that directly predicts each input feature's Shapley Value without additional model evaluations. It is trained on a set of examples whose Shapley Values are estimated from a large number of model evaluations to ensure stability. Experimental results on two text classification datasets demonstrate that our amortized model estimates Shapley Values accurately with up to 60 times speedup compared to traditional methods. Furthermore, the estimated values are stable as the inference is deterministic. We release our code at https://github.com/yangalan123/Amortized-Interpretability.
A Nested Matrix-Tensor Model for Noisy Multi-view Clustering
Authors: Mohamed El Amine Seddik, Mastane Achab, Henrique Goulart, Merouane Debbah
Date: 2023-05-31 00:00:00
Tasks: Clustering

In this paper, we propose a nested matrix-tensor model which extends the spiked rank-one tensor model of order three. This model is particularly motivated by a multi-view clustering problem in which multiple noisy observations of each data point are acquired, with potentially non-uniform variances along the views. In this case, data can be naturally represented by an order-three tensor where the views are stacked. Given such a tensor, we consider the estimation of the hidden clusters via performing a best rank-one tensor approximation. In order to study the theoretical performance of this approach, we characterize the behavior of this best rank-one approximation in terms of the alignments of the obtained component vectors with the hidden model parameter vectors, in the large-dimensional regime. In particular, we show that our theoretical results allow us to anticipate the exact accuracy of the proposed clustering approach. Furthermore, numerical experiments indicate that leveraging our tensor-based approach yields better accuracy compared to a naive unfolding-based algorithm which ignores the underlying low-rank tensor structure. Our analysis unveils unexpected and non-trivial phase transition phenomena depending on the model parameters, ``interpolating'' between the typical behavior observed for the spiked matrix and tensor models.
Federated Learning in the Presence of Adversarial Client Unavailability
Authors: Lili Su, Ming Xiang, Jiaming Xu, Pengkun Yang
Date: 2023-05-31 00:00:00
Tasks: Federated Learning, Selection bias

Federated learning is a decentralized machine learning framework that enables collaborative model training without revealing raw data. Due to the diverse hardware and software limitations, a client may not always be available for the computation requests from the parameter server. An emerging line of research is devoted to tackling arbitrary client unavailability. However, existing work still imposes structural assumptions on the unavailability patterns, impeding their applicability in challenging scenarios wherein the unavailability patterns are beyond the control of the parameter server. Moreover, in harsh environments like battlefields, adversaries can selectively and adaptively silence specific clients. In this paper, we relax the structural assumptions and consider adversarial client unavailability. To quantify the degrees of client unavailability, we use the notion of $\epsilon$-adversary dropout fraction. We show that simple variants of FedAvg or FedProx, albeit completely agnostic to $\epsilon$, converge to an estimation error on the order of $\epsilon (G^2 + \sigma^2)$ for non-convex global objectives and $\epsilon(G^2 + \sigma^2)/\mu^2$ for $\mu$ strongly convex global objectives, where $G$ is a heterogeneity parameter and $\sigma^2$ is the noise level. Conversely, we prove that any algorithm has to suffer an estimation error of at least $\epsilon (G^2 + \sigma^2)/8$ and $\epsilon(G^2 + \sigma^2)/(8\mu^2)$ for non-convex global objectives and $\mu$-strongly convex global objectives. Furthermore, the convergence speeds of the FedAvg or FedProx variants are $O(1/\sqrt{T})$ for non-convex objectives and $O(1/T)$ for strongly-convex objectives, both of which are the best possible for any first-order method that only has access to noisy gradients.
Analysing high resolution digital Mars images using machine learning
Authors: Mira Gergácz, Ákos Kereszturi
Date: 2023-05-31 00:00:00

The search for ephemeral liquid water on Mars is an ongoing activity. After the recession of the seasonal polar ice cap on Mars, small water ice patches may be left behind in shady places due to the low thermal conductivity of the Martian surface and atmosphere. During late spring and early summer, these patches may be exposed to direct sunlight and warm up rapidly enough for the liquid phase to emerge. To see the spatial and temporal occurrence of such ice patches, optical images should be searched for and checked. Previously a manual image analysis was conducted on 110 images from the southern hemisphere, captured by the High Resolution Imaging Science Experiment (HiRISE) camera onboard the Mars Reconnaissance Orbiter space mission. Out of these, 37 images were identified with smaller ice patches, which were distinguishable by their brightness, colour and strong connection to local topographic shading. In this study, a convolutional neural network (CNN) is applied to find further images with potential water ice patches in the latitude band between -40{\deg} and -60{\deg}, where the seasonal retreat of the polar ice cap happens. Previously analysed HiRISE images were used to train the model, where each image was split into hundreds of pieces (chunks), expanding the training dataset to 6240 images. A test run conducted on 38 new HiRISE images indicates that the program can generally recognise small bright patches, however further training might be needed for more precise identification. This further training has been conducted now, incorporating the results of the previous test run. To retrain the model, 18646 chunks were analysed and 48 additional epochs were ran. In the end the model produced a 94% accuracy in recognising ice, 58% of these images showed small enough ice patches on them. The rest of the images was covered by too much ice or showed CO2 ice sublimation in some places.
Multi-Dataset Co-Training with Sharpness-Aware Optimization for Audio Anti-spoofing
Authors: Hye-jin Shim, Jee-weon Jung, Tomi Kinnunen
Date: 2023-05-31 00:00:00
Tasks: Speaker Verification

Audio anti-spoofing for automatic speaker verification aims to safeguard users' identities from spoofing attacks. Although state-of-the-art spoofing countermeasure(CM) models perform well on specific datasets, they lack generalization when evaluated with different datasets. To address this limitation, previous studies have explored large pre-trained models, which require significant resources and time. We aim to develop a compact but well-generalizing CM model that can compete with large pre-trained models. Our approach involves multi-dataset co-training and sharpness-aware minimization, which has not been investigated in this domain. Extensive experiments reveal that proposed method yield competitive results across various datasets while utilizing 4,000 times less parameters than the large pre-trained models.
Not All Neuro-Symbolic Concepts Are Created Equal: Analysis and Mitigation of Reasoning Shortcuts
Authors: Emanuele Marconato, Stefano Teso, Antonio Vergari, Andrea Passerini
Date: 2023-05-31 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: All, Systematic Generalization

Neuro-Symbolic (NeSy) predictive models hold the promise of improved compliance with given constraints, systematic generalization, and interpretability, as they allow to infer labels that are consistent with some prior knowledge by reasoning over high-level concepts extracted from sub-symbolic inputs. It was recently shown that NeSy predictors are affected by reasoning shortcuts: they can attain high accuracy but by leveraging concepts with unintended semantics, thus coming short of their promised advantages. Yet, a systematic characterization of reasoning shortcuts and of potential mitigation strategies is missing. This work fills this gap by characterizing them as unintended optima of the learning objective and identifying four key conditions behind their occurrence. Based on this, we derive several natural mitigation strategies, and analyze their efficacy both theoretically and empirically. Our analysis shows reasoning shortcuts are difficult to deal with, casting doubts on the trustworthiness and interpretability of existing NeSy solutions.
Fully Dynamic Submodular Maximization over Matroids
Authors: Paul Dütting, Federico Fusco, Silvio Lattanzi, Ashkan Norouzi-Fard, Morteza Zadimoghaddam
Date: 2023-05-31 00:00:00

Maximizing monotone submodular functions under a matroid constraint is a classic algorithmic problem with multiple applications in data mining and machine learning. We study this classic problem in the fully dynamic setting, where elements can be both inserted and deleted in real-time. Our main result is a randomized algorithm that maintains an efficient data structure with an $\tilde{O}(k^2)$ amortized update time (in the number of additions and deletions) and yields a $4$-approximate solution, where $k$ is the rank of the matroid.
Representation Equivalent Neural Operators: a Framework for Alias-free Operator Learning
Date: 2023-05-31 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Operator learning

Recently, operator learning, or learning mappings between infinite-dimensional function spaces, has garnered significant attention, notably in relation to learning partial differential equations from data. Conceptually clear when outlined on paper, neural operators necessitate discretization in the transition to computer implementations. This step can compromise their integrity, often causing them to deviate from the underlying operators. This research offers a fresh take on neural operators with a framework Representation equivalent Neural Operators (ReNO) designed to address these issues. At its core is the concept of operator aliasing, which measures inconsistency between neural operators and their discrete representations. We explore this for widely-used operator learning techniques. Our findings detail how aliasing introduces errors when handling different discretizations and grids and loss of crucial continuous structures. More generally, this framework not only sheds light on existing challenges but, given its constructive and broad nature, also potentially offers tools for developing new neural operators.
Neuron to Graph: Interpreting Language Model Neurons at Scale
Authors: Alex Foote, Neel Nanda, Esben Kran, Ioannis Konstas, Shay Cohen, Fazl Barez
Date: 2023-05-31 00:00:00
Tasks: GPU, Language Modeling, Language Modelling

Advances in Large Language Models (LLMs) have led to remarkable capabilities, yet their inner mechanisms remain largely unknown. To understand these models, we need to unravel the functions of individual neurons and their contribution to the network. This paper introduces a novel automated approach designed to scale interpretability techniques across a vast array of neurons within LLMs, to make them more interpretable and ultimately safe. Conventional methods require examination of examples with strong neuron activation and manual identification of patterns to decipher the concepts a neuron responds to. We propose Neuron to Graph (N2G), an innovative tool that automatically extracts a neuron's behaviour from the dataset it was trained on and translates it into an interpretable graph. N2G uses truncation and saliency methods to emphasise only the most pertinent tokens to a neuron while enriching dataset examples with diverse samples to better encompass the full spectrum of neuron behaviour. These graphs can be visualised to aid researchers' manual interpretation, and can generate token activations on text for automatic validation by comparison with the neuron's ground truth activations, which we use to show that the model is better at predicting neuron activation than two baseline methods. We also demonstrate how the generated graph representations can be flexibly used to facilitate further automation of interpretability research, by searching for neurons with particular properties, or programmatically comparing neurons to each other to identify similar neurons. Our method easily scales to build graph representations for all neurons in a 6-layer Transformer model using a single Tesla T4 GPU, allowing for wide usability. We release the code and instructions for use at https://github.com/alexjfoote/Neuron2Graph.
Adaptive Conformal Regression with Jackknife+ Rescaled Scores
Authors: Nicolas Deutschmann, Mattia Rigotti, Maria Rodriguez Martinez
Date: 2023-05-31 00:00:00
Tasks: Conformal Prediction, Prediction, Prediction Intervals, regression

Conformal regression provides prediction intervals with global coverage guarantees, but often fails to capture local error distributions, leading to non-homogeneous coverage. We address this with a new adaptive method based on rescaling conformal scores with an estimate of local score distribution, inspired by the Jackknife+ method, which enables the use of calibration data in conformal scores without breaking calibration-test exchangeability. Our approach ensures formal global coverage guarantees and is supported by new theoretical results on local coverage, including an a posteriori bound on any calibration score. The strength of our approach lies in achieving local coverage without sacrificing calibration set size, improving the applicability of conformal prediction intervals in various settings. As a result, our method provides prediction intervals that outperform previous methods, particularly in the low-data regime, making it especially relevant for real-world applications such as healthcare and biomedical domains where uncertainty needs to be quantified accurately despite low sample data.
Evaluating Machine Learning Models with NERO: Non-Equivariance Revealed on Orbits
Authors: Zhuokai Zhao, Takumi Matsuzawa, William Irvine, Michael Maire, Gordon L Kindlmann
Date: 2023-05-31 00:00:00
Tasks: 3D Point Cloud Classification, object-detection, Object Detection, Point Cloud Classification

Proper evaluations are crucial for better understanding, troubleshooting, interpreting model behaviors and further improving model performance. While using scalar-based error metrics provides a fast way to overview model performance, they are often too abstract to display certain weak spots and lack information regarding important model properties, such as robustness. This not only hinders machine learning models from being more interpretable and gaining trust, but also can be misleading to both model developers and users. Additionally, conventional evaluation procedures often leave researchers unclear about where and how model fails, which complicates model comparisons and further developments. To address these issues, we propose a novel evaluation workflow, named Non-Equivariance Revealed on Orbits (NERO) Evaluation. The goal of NERO evaluation is to turn focus from traditional scalar-based metrics onto evaluating and visualizing models equivariance, closely capturing model robustness, as well as to allow researchers quickly investigating interesting or unexpected model behaviors. NERO evaluation is consist of a task-agnostic interactive interface and a set of visualizations, called NERO plots, which reveals the equivariance property of the model. Case studies on how NERO evaluation can be applied to multiple research areas, including 2D digit recognition, object detection, particle image velocimetry (PIV), and 3D point cloud classification, demonstrate that NERO evaluation can quickly illustrate different model equivariance, and effectively explain model behaviors through interactive visualizations of the model outputs. In addition, we propose consensus, an alternative to ground truths, to be used in NERO evaluation so that model equivariance can still be evaluated with new, unlabeled datasets.