Uniformity plays an important role in evaluating learned representations, providing insights into self-supervised learning. In our quest for effective uniformity metrics, we pinpoint four principled properties that such metrics should possess. Namely, an effective uniformity metric should remain invariant to instance permutations and sample replications while accurately capturing feature redundancy and dimensional collapse. Surprisingly, we find that the uniformity metric proposed by \citet{Wang2020UnderstandingCR} fails to satisfy the majority of these properties. Specifically, their metric is sensitive to sample replications, and can not account for feature redundancy and dimensional collapse correctly. To overcome these limitations, we introduce a new uniformity metric based on the Wasserstein distance, which satisfies all the aforementioned properties. Integrating this new metric in existing self-supervised learning methods effectively mitigates dimensional collapse and consistently improves their performance on downstream tasks involving CIFAR-10 and CIFAR-100 datasets. Code is available at \url{https://github.com/statsle/WassersteinSSL}.

Can we modify the training data distribution to encourage the underlying optimization method toward finding solutions with superior generalization performance on in-distribution data? In this work, we approach this question for the first time by comparing the inductive bias of gradient descent (GD) with that of sharpness-aware minimization (SAM). By studying a two-layer CNN, we prove that SAM learns easy and difficult features more uniformly, particularly in early epochs. That is, SAM is less susceptible to simplicity bias compared to GD. Based on this observation, we propose USEFUL, an algorithm that clusters examples based on the network output early in training and upsamples examples with no easy features to alleviate the pitfalls of the simplicity bias. We show empirically that modifying the training data distribution in this way effectively improves the generalization performance on the original data distribution when training with (S)GD by mimicking the training dynamics of SAM. Notably, we demonstrate that our method can be combined with SAM and existing data augmentation strategies to achieve, to the best of our knowledge, state-of-the-art performance for training ResNet18 on CIFAR10, STL10, CINIC10, Tiny-ImageNet; ResNet34 on CIFAR100; and VGG19 and DenseNet121 on CIFAR10.

Deep Reinforcement Learning is an effective tool for drug dosing for chronic condition management. However, the final protocol is generally a black box without any justification for its prescribed doses. This paper addresses this issue by proposing an explainable dosing protocol for warfarin using a Proximal Policy Optimization method combined with Policy Distillation. We introduce Action Forging as an effective tool to achieve explainability. Our focus is on the maintenance dosing protocol. Results show that the final model is as easy to understand and deploy as the current dosing protocols and outperforms the baseline dosing algorithms.

Accurate prediction of battery temperature rise is very essential for designing an efficient thermal management scheme. In this paper, machine learning (ML) based prediction of Vanadium Redox Flow Battery (VRFB) thermal behavior during charge-discharge operation has been demonstrated for the first time. Considering different currents with a specified electrolyte flow rate, the temperature of a kW scale VRFB system is studied through experiments. Three different ML algorithms; Linear Regression (LR), Support Vector Regression (SVR) and Extreme Gradient Boost (XGBoost) have been used for the prediction work. The training and validation of ML algorithms have been done by the practical dataset of a 1kW 6kWh VRFB storage under 40A, 45A, 50A and 60A charge-discharge currents and 10 L min-1 of flow rate. A comparative analysis among the ML algorithms is done in terms of performance metrics such as correlation coefficient (R2), mean absolute error (MAE) and root mean square error (RMSE). It is observed that XGBoost shows the highest accuracy in prediction of around 99%. The ML based prediction results obtained in this work can be very useful for controlling the VRFB temperature rise during operation and act as indicator for further development of an optimized thermal management system.

The fields of effective resistance and optimal transport on graphs are filled with rich connections to combinatorics, geometry, machine learning, and beyond. In this article we put forth a bold claim: that the two fields should be understood as one and the same, up to a choice of $p$. We make this claim precise by introducing the parameterized family of $p$-Beckmann distances for probability measures on graphs and relate them sharply to certain Wasserstein distances. Then, we break open a suite of results including explicit connections to optimal stopping times and random walks on graphs, graph Sobolev spaces, and a Benamou-Brenier type formula for $2$-Beckmann distance. We further explore empirical implications in the world of unsupervised learning for graph data and propose further study of the usage of these metrics where Wasserstein distance may produce computational bottlenecks.

There is growing recognition among financial institutions, financial regulators and policy makers of the importance of addressing nature-related risks and opportunities. Evaluating and assessing nature-related risks for financial institutions is challenging due to the large volume of heterogeneous data available on nature and the complexity of investment value chains and the various components' relationship to nature. The dual problem of scaling data analytics and analysing complex systems can be addressed using Artificial Intelligence (AI). We address issues such as plugging existing data gaps with discovered data, data estimation under uncertainty, time series analysis and (near) real-time updates. This report presents potential AI solutions for models of two distinct use cases, the Brazil Beef Supply Use Case and the Water Utility Use Case. Our two use cases cover a broad perspective within sustainable finance. The Brazilian cattle farming use case is an example of greening finance - integrating nature-related considerations into mainstream financial decision-making to transition investments away from sectors with poor historical track records and unsustainable operations. The deployment of nature-based solutions in the UK water utility use case is an example of financing green - driving investment to nature-positive outcomes. The two use cases also cover different sectors, geographies, financial assets and AI modelling techniques, providing an overview on how AI could be applied to different challenges relating to nature's integration into finance. This report is primarily aimed at financial institutions but is also of interest to ESG data providers, TNFD, systems modellers, and, of course, AI practitioners.

The practical Domain Adaptation (DA) tasks, e.g., Partial DA (PDA), open-set DA, universal DA, and test-time adaptation, have gained increasing attention in the machine learning community. In this paper, we propose a novel approach, dubbed Adversarial Reweighting with $\alpha$-Power Maximization (ARPM), for PDA where the source domain contains private classes absent in target domain. In ARPM, we propose a novel adversarial reweighting model that adversarially learns to reweight source domain data to identify source-private class samples by assigning smaller weights to them, for mitigating potential negative transfer. Based on the adversarial reweighting, we train the transferable recognition model on the reweighted source distribution to be able to classify common class data. To reduce the prediction uncertainty of the recognition model on the target domain for PDA, we present an $\alpha$-power maximization mechanism in ARPM, which enriches the family of losses for reducing the prediction uncertainty for PDA. Extensive experimental results on five PDA benchmarks, i.e., Office-31, Office-Home, VisDA-2017, ImageNet-Caltech, and DomainNet, show that our method is superior to recent PDA methods. Ablation studies also confirm the effectiveness of components in our approach. To theoretically analyze our method, we deduce an upper bound of target domain expected error for PDA, which is approximately minimized in our approach. We further extend ARPM to open-set DA, universal DA, and test time adaptation, and verify the usefulness through experiments.

Cluster analysis plays a crucial role in database mining, and one of the most widely used algorithms in this field is DBSCAN. However, DBSCAN has several limitations, such as difficulty in handling high-dimensional large-scale data, sensitivity to input parameters, and lack of robustness in producing clustering results. This paper introduces an improved version of DBSCAN that leverages the block-diagonal property of the similarity graph to guide the clustering procedure of DBSCAN. The key idea is to construct a graph that measures the similarity between high-dimensional large-scale data points and has the potential to be transformed into a block-diagonal form through an unknown permutation, followed by a cluster-ordering procedure to generate the desired permutation. The clustering structure can be easily determined by identifying the diagonal blocks in the permuted graph. We propose a gradient descent-based method to solve the proposed problem. Additionally, we develop a DBSCAN-based points traversal algorithm that identifies clusters with high densities in the graph and generates an augmented ordering of clusters. The block-diagonal structure of the graph is then achieved through permutation based on the traversal order, providing a flexible foundation for both automatic and interactive cluster analysis. We introduce a split-and-refine algorithm to automatically search for all diagonal blocks in the permuted graph with theoretically optimal guarantees under specific cases. We extensively evaluate our proposed approach on twelve challenging real-world benchmark clustering datasets and demonstrate its superior performance compared to the state-of-the-art clustering method on every dataset.

Channel estimation in quantized systems is challenging, particularly in low-resolution systems. In this work, we propose to leverage a Gaussian mixture model (GMM) as generative prior, capturing the channel distribution of the propagation environment, to enhance a classical estimation technique based on the expectation-maximization (EM) algorithm for one-bit quantization. Thereby, a maximum a posteriori (MAP) estimate of the most responsible mixture component is inferred for a quantized received signal, which is subsequently utilized in the EM algorithm as side information. Numerical results demonstrate the significant performance improvement of our proposed approach over both a simplistic Gaussian prior and current state-of-the-art channel estimators. Furthermore, the proposed estimation framework exhibits adaptability to higher resolution systems and alternative generative priors.

One of the main computational bottlenecks when working with kernel based learning is dealing with the large and typically dense kernel matrix. Techniques dealing with fast approximations of the matrix vector product for these kernel matrices typically deteriorate in their performance if the feature vectors reside in higher-dimensional feature spaces. We here present a technique based on the non-equispaced fast Fourier transform (NFFT) with rigorous error analysis. We show that this approach is also well suited to allow the approximation of the matrix that arises when the kernel is differentiated with respect to the kernel hyperparameters; a problem often found in the training phase of methods such as Gaussian processes. We also provide an error analysis for this case. We illustrate the performance of the additive kernel scheme with fast matrix vector products on a number of data sets.