Adaptive optimization methods are well known to achieve superior convergence relative to vanilla gradient methods. The traditional viewpoint in optimization, particularly in convex optimization, explains this improved performance by arguing that, unlike vanilla gradient schemes, adaptive algorithms mimic the behavior of a second-order method by adapting to the global geometry of the loss function. We argue that in the context of neural network optimization, this traditional viewpoint is insufficient. Instead, we advocate for a local trajectory analysis. For iterate trajectories produced by running a generic optimization algorithm OPT, we introduce $R^{\text{OPT}}_{\text{med}}$, a statistic that is analogous to the condition number of the loss Hessian evaluated at the iterates. Through extensive experiments, we show that adaptive methods such as Adam bias the trajectories towards regions where $R^{\text{Adam}}_{\text{med}}$ is small, where one might expect faster convergence. By contrast, vanilla gradient methods like SGD bias the trajectories towards regions where $R^{\text{SGD}}_{\text{med}}$ is comparatively large. We complement these empirical observations with a theoretical result that provably demonstrates this phenomenon in the simplified setting of a two-layer linear network. We view our findings as evidence for the need of a new explanation of the success of adaptive methods, one that is different than the conventional wisdom.

Neural networks trained with ERM (empirical risk minimization) sometimes learn unintended decision rules, in particular when their training data is biased, i.e., when training labels are strongly correlated with undesirable features. To prevent a network from learning such features, recent methods augment training data such that examples displaying spurious correlations (i.e., bias-aligned examples) become a minority, whereas the other, bias-conflicting examples become prevalent. However, these approaches are sometimes difficult to train and scale to real-world data because they rely on generative models or disentangled representations. We propose an alternative based on mixup, a popular augmentation that creates convex combinations of training examples. Our method, coined SelecMix, applies mixup to contradicting pairs of examples, defined as showing either (i) the same label but dissimilar biased features, or (ii) different labels but similar biased features. Identifying such pairs requires comparing examples with respect to unknown biased features. For this, we utilize an auxiliary contrastive model with the popular heuristic that biased features are learned preferentially during training. Experiments on standard benchmarks demonstrate the effectiveness of the method, in particular when label noise complicates the identification of bias-conflicting examples.

The increasing reliance on online communities for healthcare information by patients and caregivers has led to the increase in the spread of misinformation, or subjective, anecdotal and inaccurate or non-specific recommendations, which, if acted on, could cause serious harm to the patients. Hence, there is an urgent need to connect users with accurate and tailored health information in a timely manner to prevent such harm. This paper proposes an innovative approach to suggesting reliable information to participants in online communities as they move through different stages in their disease or treatment. We hypothesize that patients with similar histories of disease progression or course of treatment would have similar information needs at comparable stages. Specifically, we pose the problem of predicting topic tags or keywords that describe the future information needs of users based on their profiles, traces of their online interactions within the community (past posts, replies) and the profiles and traces of online interactions of other users with similar profiles and similar traces of past interaction with the target users. The result is a variant of the collaborative information filtering or recommendation system tailored to the needs of users of online health communities. We report results of our experiments on an expert curated data set which demonstrate the superiority of the proposed approach over the state of the art baselines with respect to accurate and timely prediction of topic tags (and hence information sources of interest).

Preconditioning has long been a staple technique in optimization, often applied to reduce the condition number of a matrix and speed up the convergence of algorithms. Although there are many popular preconditioning techniques in practice, most lack guarantees on reductions in condition number. Moreover, the degree to which we can improve over existing heuristic preconditioners remains an important practical question. In this paper, we study the problem of optimal diagonal preconditioning that achieves maximal reduction in the condition number of any full-rank matrix by scaling its rows and/or columns. We first reformulate the problem as a quasi-convex problem and provide a simple algorithm based on bisection. Then we develop an interior point algorithm with $O(\log(1/\epsilon))$ iteration complexity, where each iteration consists of a Newton update based on the Nesterov-Todd direction. Next, we specialize to one-sided optimal diagonal preconditioning problems, and demonstrate that they can be formulated as standard dual SDP problems. We then develop efficient customized solvers and study the empirical performance of our optimal diagonal preconditioning procedures through extensive experiments on large matrices. Our findings suggest that optimal diagonal preconditioners can significantly improve upon existing heuristics-based diagonal preconditioners at reducing condition numbers and speeding up iterative methods. Moreover, our implementation of customized solvers, combined with a random row/column sampling step, can find near-optimal diagonal preconditioners for matrices up to size 200,000 in reasonable time, demonstrating their practical appeal.

We are living in an era where messaging applications are strongly linked to all sorts of our daily activities, and in fact these applications have already overtaken social networks as can be indicated in the BI Intelligence Report [3]. The consumption of messaging platforms is further expected to grow significantly in the coming years; hence this is a huge opportunity for different businesses to gain insight on what people are actively engaged with. In this age of instant gratification, consumers expect companies to respond quickly or with minimum delay and this, of course, requires a lot of time and effort for the company to invest in their workforce. Thus, it's now the right time for any organization to think of new ways to stay connected with the end-user. Many organizations undergoing a digital transformation have already started harnessing the power of Artificial Intelligence (AI) in the form of AI-assisted customer support systems, talent screening using AI-assisted interviews, etc.

The kernel function and its hyperparameters are the central model selection choice in a Gaussian process [Rasmussen and Williams, 2006]. Typically, the hyperparameters of the kernel are chosen by maximising the marginal likelihood, an approach known as Type-II maximum likelihood (ML-II). However, ML-II does not account for hyperparameter uncertainty, and it is well-known that this can lead to severely biased estimates and an underestimation of predictive uncertainty. While there are several works which employ a fully Bayesian characterisation of GPs, relatively few propose such approaches for the sparse GPs paradigm. In this work we propose an algorithm for sparse Gaussian process regression which leverages MCMC to sample from the hyperparameter posterior within the variational inducing point framework of [Titsias, 2009]. This work is closely related to Hensman et al. [2015b], but side-steps the need to sample the inducing points, thereby significantly improving sampling efficiency in the Gaussian likelihood case. We compare this scheme against natural baselines in literature along with stochastic variational GPs (SVGPs) along with an extensive computational analysis.

Both industry and academia have made considerable progress in developing trustworthy and responsible machine learning (ML) systems. While critical concepts like fairness and explainability are often addressed, the safety of systems is typically not sufficiently taken into account. By viewing data-driven decision systems as socio-technical systems, we draw on the uncertainty in ML literature to show how fairML systems can also be safeML systems. We posit that a fair model needs to be an uncertainty-aware model, e.g. by drawing on distributional regression. For fair decisions, we argue that a safe fail option should be used for individuals with uncertain categorization. We introduce semi-structured deep distributional regression as a modeling framework which addresses multiple concerns brought against standard ML models and show its use in a real-world example of algorithmic profiling of job seekers.

Recent advances in multimodal single-cell technologies have enabled simultaneous acquisitions of multiple omics data from the same cell, providing deeper insights into cellular states and dynamics. However, it is challenging to learn the joint representations from the multimodal data, model the relationship between modalities, and, more importantly, incorporate the vast amount of single-modality datasets into the downstream analyses. To address these challenges and correspondingly facilitate multimodal single-cell data analyses, three key tasks have been introduced: $\textit{modality prediction}$, $\textit{modality matching}$ and $\textit{joint embedding}$. In this work, we present a general Graph Neural Network framework $\textit{scMoGNN}$ to tackle these three tasks and show that $\textit{scMoGNN}$ demonstrates superior results in all three tasks compared with the state-of-the-art and conventional approaches. Our method is an official winner in the overall ranking of $\textit{Modality prediction}$ from NeurIPS 2021 Competition, and all implementations of our methods have been integrated into DANCE package~\url{https://github.com/OmicsML/dance}.

Machine learning is the study of computer algorithms that can automatically improve based on data and experience. Machine learning algorithms build a model from sample data, called training data, to make predictions or judgments without being explicitly programmed to do so. A variety of wellknown machine learning algorithms have been developed for use in the field of computer science to analyze data. This paper introduced a new machine learning algorithm called impact learning. Impact learning is a supervised learning algorithm that can be consolidated in both classification and regression problems. It can furthermore manifest its superiority in analyzing competitive data. This algorithm is remarkable for learning from the competitive situation and the competition comes from the effects of autonomous features. It is prepared by the impacts of the highlights from the intrinsic rate of natural increase (RNI). We, moreover, manifest the prevalence of the impact learning over the conventional machine learning algorithm.

Finding global optima in high-dimensional optimization problems is extremely challenging since the number of function evaluations required to sufficiently explore the search space increases exponentially with its dimensionality. Furthermore, multimodal cost functions render local gradient-based search techniques ineffective. To overcome these difficulties, we propose to trim uninteresting regions of the search space where global optima are unlikely to be found by means of autoencoders, exploiting the lower intrinsic dimensionality of certain cost functions; optima are then searched over lower-dimensional latent spaces. The methodology is tested on benchmark functions and on multiple variations of a structural topology optimization problem, where we show that we can estimate this intrinsic lower dimensionality and based thereon obtain the global optimum at best or superior results compared to established optimization procedures at worst.