pwc-archive/papers-with-abstracts huggingface dataset:
Cooperative learning of Pl@ntNet's Artificial Intelligence algorithm: how does it work and how can we improve it?
Authors: Tanguy Lefort, Antoine Affouard, Benjamin Charlier, Jean-Christophe Lombardo, Mathias Chouet, Hervé Goëau, Joseph Salmon, Pierre Bonnet, Alexis Joly
Date: 2024-06-05 00:00:00

Deep learning models for plant species identification rely on large annotated datasets. The PlantNet system enables global data collection by allowing users to upload and annotate plant observations, leading to noisy labels due to diverse user skills. Achieving consensus is crucial for training, but the vast scale of collected data makes traditional label aggregation strategies challenging. Existing methods either retain all observations, resulting in noisy training data or selectively keep those with sufficient votes, discarding valuable information. Additionally, as many species are rarely observed, user expertise can not be evaluated as an inter-user agreement: otherwise, botanical experts would have a lower weight in the AI training step than the average user. Our proposed label aggregation strategy aims to cooperatively train plant identification AI models. This strategy estimates user expertise as a trust score per user based on their ability to identify plant species from crowdsourced data. The trust score is recursively estimated from correctly identified species given the current estimated labels. This interpretable score exploits botanical experts' knowledge and the heterogeneity of users. Subsequently, our strategy removes unreliable observations but retains those with limited trusted annotations, unlike other approaches. We evaluate PlantNet's strategy on a released large subset of the PlantNet database focused on European flora, comprising over 6M observations and 800K users. We demonstrate that estimating users' skills based on the diversity of their expertise enhances labeling performance. Our findings emphasize the synergy of human annotation and data filtering in improving AI performance for a refined dataset. We explore incorporating AI-based votes alongside human input. This can further enhance human-AI interactions to detect unreliable observations.
Position: A Call to Action for a Human-Centered AutoML Paradigm
Authors: Marius Lindauer, Florian Karl, Anne Klier, Julia Moosbauer, Alexander Tornede, Andreas Mueller, Frank Hutter, Matthias Feurer, Bernd Bischl
Date: 2024-06-05 00:00:00
Tasks: AutoML, Position

Automated machine learning (AutoML) was formed around the fundamental objectives of automatically and efficiently configuring machine learning (ML) workflows, aiding the research of new ML algorithms, and contributing to the democratization of ML by making it accessible to a broader audience. Over the past decade, commendable achievements in AutoML have primarily focused on optimizing predictive performance. This focused progress, while substantial, raises questions about how well AutoML has met its broader, original goals. In this position paper, we argue that a key to unlocking AutoML's full potential lies in addressing the currently underexplored aspect of user interaction with AutoML systems, including their diverse roles, expectations, and expertise. We envision a more human-centered approach in future AutoML research, promoting the collaborative design of ML systems that tightly integrates the complementary strengths of human expertise and AutoML methodologies.
Normalizing Flows for Conformal Regression
Authors: Nicolo Colombo
Date: 2024-06-05 00:00:00
Tasks: Conformal Prediction, Prediction, Prediction Intervals, regression, valid

Conformal Prediction (CP) algorithms estimate the uncertainty of a prediction model by calibrating its outputs on labeled data. The same calibration scheme usually applies to any model and data without modifications. The obtained prediction intervals are valid by construction but could be inefficient, i.e. unnecessarily big, if the prediction errors are not uniformly distributed over the input space. We present a general scheme to localize the intervals by training the calibration process. The standard prediction error is replaced by an optimized distance metric that depends explicitly on the object attributes. Learning the optimal metric is equivalent to training a Normalizing Flow that acts on the joint distribution of the errors and the inputs. Unlike the Error Reweighting CP algorithm of Papadopoulos et al. (2008), the framework allows estimating the gap between nominal and empirical conditional validity. The approach is compatible with existing locally-adaptive CP strategies based on re-weighting the calibration samples and applies to any point-prediction model without retraining.
Tackling Copyright Issues in AI Image Generation Through Originality Estimation and Genericization
Authors: Hiroaki Chiba-Okabe, Weijie J. Su
Date: 2024-06-05 00:00:00
Tasks: Image Generation

The rapid progress of generative AI technology has sparked significant copyright concerns, leading to numerous lawsuits filed against AI developers. Notably, generative AI's capacity for generating images of copyrighted characters has been well documented in the literature, and while various techniques for mitigating copyright issues have been studied, significant risks remain. Here, we propose a genericization method that modifies the outputs of a generative model to make them more generic and less likely to imitate distinctive features of copyrighted materials. To achieve this, we introduce a metric for quantifying the level of originality of data, estimated by drawing samples from a generative model, and applied in the genericization process. As a practical implementation, we introduce PREGen (Prompt Rewriting-Enhanced Genericization), which combines our genericization method with an existing mitigation technique. Compared to the existing method, PREGen reduces the likelihood of generating copyrighted characters by more than half when the names of copyrighted characters are used as the prompt. Additionally, while generative models can produce copyrighted characters even when their names are not directly mentioned in the prompt, PREGen almost entirely prevents the generation of such characters in these cases. Ultimately, this study advances computational approaches for quantifying and strengthening copyright protection, thereby providing practical methodologies to promote responsible generative AI development.
Identifying latent state transition in non-linear dynamical systems
Authors: Çağlar Hızlı, Çağatay Yıldız, Matthias Bethge, ST John, Pekka Marttinen
Date: 2024-06-05 00:00:00
Tasks: Future prediction, Representation Learning

This work aims to improve generalization and interpretability of dynamical systems by recovering the underlying lower-dimensional latent states and their time evolutions. Previous work on disentangled representation learning within the realm of dynamical systems focused on the latent states, possibly with linear transition approximations. As such, they cannot identify nonlinear transition dynamics, and hence fail to reliably predict complex future behavior. Inspired by the advances in nonlinear ICA, we propose a state-space modeling framework in which we can identify not just the latent states but also the unknown transition function that maps the past states to the present. We introduce a practical algorithm based on variational auto-encoders and empirically demonstrate in realistic synthetic settings that we can (i) recover latent state dynamics with high accuracy, (ii) correspondingly achieve high future prediction accuracy, and (iii) adapt fast to new environments.
Reparameterization invariance in approximate Bayesian inference
Authors: Hrittik Roy, Marco Miani, Carl Henrik Ek, Philipp Hennig, Marvin Pförtner, Lukas Tatzel, Søren Hauberg
Date: 2024-06-05 00:00:00
Tasks: Bayesian Inference

Current approximate posteriors in Bayesian neural networks (BNNs) exhibit a crucial limitation: they fail to maintain invariance under reparameterization, i.e. BNNs assign different posterior densities to different parametrizations of identical functions. This creates a fundamental flaw in the application of Bayesian principles as it breaks the correspondence between uncertainty over the parameters with uncertainty over the parametrized function. In this paper, we investigate this issue in the context of the increasingly popular linearized Laplace approximation. Specifically, it has been observed that linearized predictives alleviate the common underfitting problems of the Laplace approximation. We develop a new geometric view of reparametrizations from which we explain the success of linearization. Moreover, we demonstrate that these reparameterization invariance properties can be extended to the original neural network predictive using a Riemannian diffusion process giving a straightforward algorithm for approximate posterior sampling, which empirically improves posterior fit.
UDQL: Bridging The Gap between MSE Loss and The Optimal Value Function in Offline Reinforcement Learning
Authors: Yu Zhang, Rui Yu, Zhipeng Yao, Wenyuan Zhang, Jun Wang, Liming Zhang
Date: 2024-06-05 00:00:00
Tasks: D4RL, Offline RL, Reinforcement Learning (RL)

The Mean Square Error (MSE) is commonly utilized to estimate the solution of the optimal value function in the vast majority of offline reinforcement learning (RL) models and has achieved outstanding performance. However, we find that its principle can lead to overestimation phenomenon for the value function. In this paper, we first theoretically analyze overestimation phenomenon led by MSE and provide the theoretical upper bound of the overestimated error. Furthermore, to address it, we propose a novel Bellman underestimated operator to counteract overestimation phenomenon and then prove its contraction characteristics. At last, we propose the offline RL algorithm based on underestimated operator and diffusion policy model. Extensive experimental results on D4RL tasks show that our method can outperform state-of-the-art offline RL algorithms, which demonstrates that our theoretical analysis and underestimation way are effective for offline RL tasks.
Embarrassingly Parallel GFlowNets
Authors: Tiago da Silva, Luiz Max Carvalho, Amauri Souza, Samuel Kaski, Diego Mesquita
Date: 2024-06-05 00:00:00

GFlowNets are a promising alternative to MCMC sampling for discrete compositional random variables. Training GFlowNets requires repeated evaluations of the unnormalized target distribution or reward function. However, for large-scale posterior sampling, this may be prohibitive since it incurs traversing the data several times. Moreover, if the data are distributed across clients, employing standard GFlowNets leads to intensive client-server communication. To alleviate both these issues, we propose embarrassingly parallel GFlowNet (EP-GFlowNet). EP-GFlowNet is a provably correct divide-and-conquer method to sample from product distributions of the form $R(\cdot) \propto R_1(\cdot) ... R_N(\cdot)$ -- e.g., in parallel or federated Bayes, where each $R_n$ is a local posterior defined on a data partition. First, in parallel, we train a local GFlowNet targeting each $R_n$ and send the resulting models to the server. Then, the server learns a global GFlowNet by enforcing our newly proposed \emph{aggregating balance} condition, requiring a single communication step. Importantly, EP-GFlowNets can also be applied to multi-objective optimization and model reuse. Our experiments illustrate the EP-GFlowNets's effectiveness on many tasks, including parallel Bayesian phylogenetics, multi-objective multiset, sequence generation, and federated Bayesian structure learning.
SpikeLM: Towards General Spike-Driven Language Modeling via Elastic Bi-Spiking Mechanisms
Authors: Xingrun Xing, Zheng Zhang, Ziyi Ni, Shitao Xiao, Yiming Ju, Siqi Fan, Yequan Wang, Jiajun Zhang, Guoqi Li
Date: 2024-06-05 00:00:00
Tasks: Language Modeling, Language Modelling

Towards energy-efficient artificial intelligence similar to the human brain, the bio-inspired spiking neural networks (SNNs) have advantages of biological plausibility, event-driven sparsity, and binary activation. Recently, large-scale language models exhibit promising generalization capability, making it a valuable issue to explore more general spike-driven models. However, the binary spikes in existing SNNs fail to encode adequate semantic information, placing technological challenges for generalization. This work proposes the first fully spiking mechanism for general language tasks, including both discriminative and generative ones. Different from previous spikes with {0,1} levels, we propose a more general spike formulation with bi-directional, elastic amplitude, and elastic frequency encoding, while still maintaining the addition nature of SNNs. In a single time step, the spike is enhanced by direction and amplitude information; in spike frequency, a strategy to control spike firing rate is well designed. We plug this elastic bi-spiking mechanism in language modeling, named SpikeLM. It is the first time to handle general language tasks with fully spike-driven models, which achieve much higher accuracy than previously possible. SpikeLM also greatly bridges the performance gap between SNNs and ANNs in language modeling. Our code is available at https://github.com/Xingrun-Xing/SpikeLM.
Using GNN property predictors as molecule generators
Authors: Félix Therrien, Edward H. Sargent, Oleksandr Voznyy
Date: 2024-06-05 00:00:00
Tasks: graph construction

Graph neural networks (GNNs) have emerged as powerful tools to accurately predict materials and molecular properties in computational discovery pipelines. In this article, we exploit the invertible nature of these neural networks to directly generate molecular structures with desired electronic properties. Starting from a random graph or an existing molecule, we perform a gradient ascent while holding the GNN weights fixed in order to optimize its input, the molecular graph, towards the target property. Valence rules are enforced strictly through a judicious graph construction. The method relies entirely on the property predictor; no additional training is required on molecular structures. We demonstrate the application of this method by generating molecules with specific DFT-verified energy gaps and octanol-water partition coefficients (logP). Our approach hits target properties with rates comparable to or better than state-of-the-art generative models while consistently generating more diverse molecules.
No-Regret Algorithms for Safe Bayesian Optimization with Monotonicity Constraints
Authors: Arpan Losalka, Jonathan Scarlett
Date: 2024-06-05 00:00:00
Tasks: Bayesian Optimization

We consider the problem of sequentially maximizing an unknown function $f$ over a set of actions of the form $(s,\mathbf{x})$, where the selected actions must satisfy a safety constraint with respect to an unknown safety function $g$. We model $f$ and $g$ as lying in a reproducing kernel Hilbert space (RKHS), which facilitates the use of Gaussian process methods. While existing works for this setting have provided algorithms that are guaranteed to identify a near-optimal safe action, the problem of attaining low cumulative regret has remained largely unexplored, with a key challenge being that expanding the safe region can incur high regret. To address this challenge, we show that if $g$ is monotone with respect to just the single variable $s$ (with no such constraint on $f$), sublinear regret becomes achievable with our proposed algorithm. In addition, we show that a modified version of our algorithm is able to attain sublinear regret (for suitably defined notions of regret) for the task of finding a near-optimal $s$ corresponding to every $\mathbf{x}$, as opposed to only finding the global safe optimum. Our findings are supported with empirical evaluations on various objective and safety functions.
Feature learning in finite-width Bayesian deep linear networks with multiple outputs and convolutional layers
Authors: Federico Bassetti, Marco Gherardi, Alessandro Ingrosso, Mauro Pastore, Pietro Rotondo
Date: 2024-06-05 00:00:00

Deep linear networks have been extensively studied, as they provide simplified models of deep learning. However, little is known in the case of finite-width architectures with multiple outputs and convolutional layers. In this manuscript, we provide rigorous results for the statistics of functions implemented by the aforementioned class of networks, thus moving closer to a complete characterization of feature learning in the Bayesian setting. Our results include: (i) an exact and elementary non-asymptotic integral representation for the joint prior distribution over the outputs, given in terms of a mixture of Gaussians; (ii) an analytical formula for the posterior distribution in the case of squared error loss function (Gaussian likelihood); (iii) a quantitative description of the feature learning infinite-width regime, using large deviation theory. From a physical perspective, deep architectures with multiple outputs or convolutional layers represent different manifestations of kernel shape renormalization, and our work provides a dictionary that translates this physics intuition and terminology into rigorous Bayesian statistics.
Relaxed Quantile Regression: Prediction Intervals for Asymmetric Noise
Authors: Thomas Pouplin, Alan Jeffares, Nabeel Seedat, Mihaela van der Schaar
Date: 2024-06-05 00:00:00
Tasks: Prediction, Prediction Intervals, quantile regression, regression, Uncertainty Quantification, valid

Constructing valid prediction intervals rather than point estimates is a well-established approach for uncertainty quantification in the regression setting. Models equipped with this capacity output an interval of values in which the ground truth target will fall with some prespecified probability. This is an essential requirement in many real-world applications where simple point predictions' inability to convey the magnitude and frequency of errors renders them insufficient for high-stakes decisions. Quantile regression is a leading approach for obtaining such intervals via the empirical estimation of quantiles in the (non-parametric) distribution of outputs. This method is simple, computationally inexpensive, interpretable, assumption-free, and effective. However, it does require that the specific quantiles being learned are chosen a priori. This results in (a) intervals that are arbitrarily symmetric around the median which is sub-optimal for realistic skewed distributions, or (b) learning an excessive number of intervals. In this work, we propose Relaxed Quantile Regression (RQR), a direct alternative to quantile regression based interval construction that removes this arbitrary constraint whilst maintaining its strengths. We demonstrate that this added flexibility results in intervals with an improvement in desirable qualities (e.g. mean width) whilst retaining the essential coverage guarantees of quantile regression.
On the Maximal Local Disparity of Fairness-Aware Classifiers
Authors: Jinqiu Jin, Haoxuan Li, Fuli Feng
Date: 2024-06-05 00:00:00
Tasks: Fairness

Fairness has become a crucial aspect in the development of trustworthy machine learning algorithms. Current fairness metrics to measure the violation of demographic parity have the following drawbacks: (i) the average difference of model predictions on two groups cannot reflect their distribution disparity, and (ii) the overall calculation along all possible predictions conceals the extreme local disparity at or around certain predictions. In this work, we propose a novel fairness metric called Maximal Cumulative ratio Disparity along varying Predictions' neighborhood (MCDP), for measuring the maximal local disparity of the fairness-aware classifiers. To accurately and efficiently calculate the MCDP, we develop a provably exact and an approximate calculation algorithm that greatly reduces the computational complexity with low estimation error. We further propose a bi-level optimization algorithm using a differentiable approximation of the MCDP for improving the algorithmic fairness. Extensive experiments on both tabular and image datasets validate that our fair training algorithm can achieve superior fairness-accuracy trade-offs.
Higher Order Structures For Graph Explanations
Authors: Akshit Sinha, Sreeram Vennam, Charu Sharma, Ponnurangam Kumaraguru
Date: 2024-06-05 00:00:00
Tasks: Graph Learning

Graph Neural Networks (GNNs) have emerged as powerful tools for learning representations of graph-structured data, demonstrating remarkable performance across various tasks. Recognising their importance, there has been extensive research focused on explaining GNN predictions, aiming to enhance their interpretability and trustworthiness. However, GNNs and their explainers face a notable challenge: graphs are primarily designed to model pair-wise relationships between nodes, which can make it tough to capture higher-order, multi-node interactions. This characteristic can pose difficulties for existing explainers in fully representing multi-node relationships. To address this gap, we present Framework For Higher-Order Representations In Graph Explanations (FORGE), a framework that enables graph explainers to capture such interactions by incorporating higher-order structures, resulting in more accurate and faithful explanations. Extensive evaluation shows that on average real-world datasets from the GraphXAI benchmark and synthetic datasets across various graph explainers, FORGE improves average explanation accuracy by 1.9x and 2.25x, respectively. We perform ablation studies to confirm the importance of higher-order relations in improving explanations, while our scalability analysis demonstrates FORGE's efficacy on large graphs.
Near-field Beam training for Extremely Large-scale MIMO Based on Deep Learning
Authors: Jiali Nie, Yuanhao Cui, Zhaohui Yang, Weijie Yuan, Xiaojun Jing
Date: 2024-06-05 00:00:00

Extremely Large-scale Array (ELAA) is considered a frontier technology for future communication systems, pivotal in improving wireless systems' rate and spectral efficiency. As ELAA employs a multitude of antennas operating at higher frequencies, users are typically situated in the near-field region where the spherical wavefront propagates. The near-field beam training in ELAA requires both angle and distance information, which inevitably leads to a significant increase in the beam training overhead. To address this problem, we propose a near-field beam training method based on deep learning. We use a convolutional neural network (CNN) to efficiently learn channel characteristics from historical data by strategically selecting padding and kernel sizes. The negative value of the user average achievable rate is utilized as the loss function to optimize the beamformer. This method maximizes multi-user networks' achievable rate without predefined beam codebooks. Upon deployment, the model requires solely the pre-estimated channel state information (CSI) to derive the optimal beamforming vector. The simulation results demonstrate that the proposed scheme achieves a more stable beamforming gain and significantly improves performance compared to the traditional beam training method. Furthermore, owing to the inherent traits of deep learning methodologies, this approach substantially diminishes the near-field beam training overhead.