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Super-Resolution is the technique to improve the quality of a low-resolution photo by boosting its plausible resolution. The computer vision community has extensively explored the area of Super-Resolution. However, previous Super-Resolution methods require vast amounts of data for training which becomes problematic in domains where very few low-resolution, high-resolution pairs might be available. One such area is statistical downscaling, where super-resolution is increasingly being used to obtain high-resolution climate information from low-resolution data. Acquiring high-resolution climate data is extremely expensive and challenging. To reduce the cost of generating high-resolution climate information, Super-Resolution algorithms should be able to train with a limited number of low-resolution, high-resolution pairs. This paper tries to solve the aforementioned problem by introducing a semi-supervised way to perform super-resolution that can generate sharp, high-resolution images with as few as 500 paired examples. The proposed semi-supervised technique can be used as a plug-and-play module with any supervised GAN-based Super-Resolution method to enhance its performance. We quantitatively and qualitatively analyze the performance of the proposed model and compare it with completely supervised methods as well as other unsupervised techniques. Comprehensive evaluations show the superiority of our method over other methods on different metrics. We also offer the applicability of our approach in statistical downscaling to obtain high-resolution climate images.

Molecular dynamics (MD) has long been the \emph{de facto} choice for modeling complex atomistic systems from first principles, and recently deep learning become a popular way to accelerate it. Notwithstanding, preceding approaches depend on intermediate variables such as the potential energy or force fields to update atomic positions, which requires additional computations to perform back-propagation. To waive this requirement, we propose a novel model called ScoreMD by directly estimating the gradient of the log density of molecular conformations. Moreover, we analyze that diffusion processes highly accord with the principle of enhanced sampling in MD simulations, and is therefore a perfect match to our sequential conformation generation task. That is, ScoreMD perturbs the molecular structure with a conditional noise depending on atomic accelerations and employs conformations at previous timeframes as the prior distribution for sampling. Another challenge of modeling such a conformation generation process is that the molecule is kinetic instead of static, which no prior studies strictly consider. To solve this challenge, we introduce a equivariant geometric Transformer as a score function in the diffusion process to calculate the corresponding gradient. It incorporates the directions and velocities of atomic motions via 3D spherical Fourier-Bessel representations. With multiple architectural improvements, we outperforms state-of-the-art baselines on MD17 and isomers of C7O2H10. This research provides new insights into the acceleration of new material and drug discovery.

The Mixture-of-Experts (MoE) technique can scale up the model size of Transformers with an affordable computational overhead. We point out that existing learning-to-route MoE methods suffer from the routing fluctuation issue, i.e., the target expert of the same input may change along with training, but only one expert will be activated for the input during inference. The routing fluctuation tends to harm sample efficiency because the same input updates different experts but only one is finally used. In this paper, we propose StableMoE with two training stages to address the routing fluctuation problem. In the first training stage, we learn a balanced and cohesive routing strategy and distill it into a lightweight router decoupled from the backbone model. In the second training stage, we utilize the distilled router to determine the token-to-expert assignment and freeze it for a stable routing strategy. We validate our method on language modeling and multilingual machine translation. The results show that StableMoE outperforms existing MoE methods in terms of both convergence speed and performance.

Evaluation of keyword spotting (KWS) systems that detect keywords in speech is a challenging task under realistic privacy constraints. The KWS is designed to only collect data when the keyword is present, limiting the availability of hard samples that may contain false negatives, and preventing direct estimation of model recall from production data. Alternatively, complementary data collected from other sources may not be fully representative of the real application. In this work, we propose an evaluation technique which we call AB/BA analysis. Our framework evaluates a candidate KWS model B against a baseline model A, using cross-dataset offline decoding for relative recall estimation, without requiring negative examples. Moreover, we propose a formulation with assumptions that allow estimation of relative false positive rate between models with low variance even when the number of false positives is small. Finally, we propose to leverage machine-generated soft labels, in a technique we call Semi-Supervised AB/BA analysis, that improves the analysis time, privacy, and cost. Experiments with both simulation and real data show that AB/BA analysis is successful at measuring recall improvement in conjunction with the trade-off in relative false positive rate.

Existing inferential methods for small area data involve a trade-off between maintaining area-level frequentist coverage rates and improving inferential precision via the incorporation of indirect information. In this article, we propose a method to obtain an area-level prediction region for a future observation which mitigates this trade-off. The proposed method takes a conformal prediction approach in which the conformity measure is the posterior predictive density of a working model that incorporates indirect information. The resulting prediction region has guaranteed frequentist coverage regardless of the working model, and, if the working model assumptions are accurate, the region has minimum expected volume compared to other regions with the same coverage rate. When constructed under a normal working model, we prove such a prediction region is an interval and construct an efficient algorithm to obtain the exact interval. We illustrate the performance of our method through simulation studies and an application to EPA radon survey data.

Recently, there has been a rising awareness that when machine learning (ML) algorithms are used to automate choices, they may treat/affect individuals unfairly, with legal, ethical, or economic consequences. Recommender systems are prominent examples of such ML systems that assist users in making high-stakes judgments. A common trend in the previous literature research on fairness in recommender systems is that the majority of works treat user and item fairness concerns separately, ignoring the fact that recommender systems operate in a two-sided marketplace. In this work, we present an optimization-based re-ranking approach that seamlessly integrates fairness constraints from both the consumer and producer-side in a joint objective framework. We demonstrate through large-scale experiments on 8 datasets that our proposed method is capable of improving both consumer and producer fairness without reducing overall recommendation quality, demonstrating the role algorithms may play in minimizing data biases.

Music Structure Analysis (MSA) consists in segmenting a music piece in several distinct sections. We approach MSA within a compression framework, under the hypothesis that the structure is more easily revealed by a simplified representation of the original content of the song. More specifically, under the hypothesis that MSA is correlated with similarities occurring at the bar scale, this article introduces the use of linear and non-linear compression schemes on barwise audio signals. Compressed representations capture the most salient components of the different bars in the song and are then used to infer the song structure using a dynamic programming algorithm. This work explores both low-rank approximation models such as Principal Component Analysis or Nonnegative Matrix Factorization and "piece-specific" Auto-Encoding Neural Networks, with the objective to learn latent representations specific to a given song. Such approaches do not rely on supervision nor annotations, which are well-known to be tedious to collect and possibly ambiguous in MSA description. In our experiments, several unsupervised compression schemes achieve a level of performance comparable to that of state-of-the-art supervised methods (for 3s tolerance) on the RWC-Pop dataset, showcasing the importance of the barwise compression processing for MSA.

Bayesian model selection provides a powerful framework for objectively comparing models directly from observed data, without reference to ground truth data. However, Bayesian model selection requires the computation of the marginal likelihood (model evidence), which is computationally challenging, prohibiting its use in many high-dimensional Bayesian inverse problems. With Bayesian imaging applications in mind, in this work we present the proximal nested sampling methodology to objectively compare alternative Bayesian imaging models for applications that use images to inform decisions under uncertainty. The methodology is based on nested sampling, a Monte Carlo approach specialised for model comparison, and exploits proximal Markov chain Monte Carlo techniques to scale efficiently to large problems and to tackle models that are log-concave and not necessarily smooth (e.g., involving l_1 or total-variation priors). The proposed approach can be applied computationally to problems of dimension O(10^6) and beyond, making it suitable for high-dimensional inverse imaging problems. It is validated on large Gaussian models, for which the likelihood is available analytically, and subsequently illustrated on a range of imaging problems where it is used to analyse different choices of dictionary and measurement model.

Sufficient training data is normally required to train deeply learned models. However, the number of pedestrian images per ID in person re-identification (re-ID) datasets is usually limited, since manually annotations are required for multiple camera views. To produce more data for training deeply learned models, generative adversarial network (GAN) can be leveraged to generate samples for person re-ID. However, the samples generated by vanilla GAN usually do not have labels. So in this paper, we propose a virtual label called Multi-pseudo Regularized Label (MpRL) and assign it to the generated images. With MpRL, the generated samples will be used as supplementary of real training data to train a deep model in a semi-supervised learning fashion. Considering data bias between generated and real samples, MpRL utilizes different contributions from predefined training classes. The contribution-based virtual labels are automatically assigned to generated samples to reduce ambiguous prediction in training. Meanwhile, MpRL only relies on predefined training classes without using extra classes. Furthermore, to reduce over-fitting, a regularized manner is applied to MpRL to regularize the learning process. To verify the effectiveness of MpRL, two state-of-the-art convolutional neural networks (CNNs) are adopted in our experiments. Experiments demonstrate that by assigning MpRL to generated samples, we can further improve the person re-ID performance on three datasets i.e., Market-1501, DukeMTMCreID, and CUHK03. The proposed method obtains +6.29%, +6.30% and +5.58% improvements in rank-1 accuracy over a strong CNN baseline respectively, and outperforms the state-of-the- art methods.