Recent works in dimensionality reduction for regression tasks have introduced the notion of sensitivity, an estimate of the importance of a specific datapoint in a dataset, offering provable guarantees on the quality of the approximation after removing low-sensitivity datapoints via subsampling. However, fast algorithms for approximating $\ell_p$ sensitivities, which we show is equivalent to approximate $\ell_p$ regression, are known for only the $\ell_2$ setting, in which they are termed leverage scores. In this work, we provide efficient algorithms for approximating $\ell_p$ sensitivities and related summary statistics of a given matrix. In particular, for a given $n \times d$ matrix, we compute $\alpha$-approximation to its $\ell_1$ sensitivities at the cost of $O(n/\alpha)$ sensitivity computations. For estimating the total $\ell_p$ sensitivity (i.e. the sum of $\ell_p$ sensitivities), we provide an algorithm based on importance sampling of $\ell_p$ Lewis weights, which computes a constant factor approximation to the total sensitivity at the cost of roughly $O(\sqrt{d})$ sensitivity computations. Furthermore, we estimate the maximum $\ell_1$ sensitivity, up to a $\sqrt{d}$ factor, using $O(d)$ sensitivity computations. We generalize all these results to $\ell_p$ norms for $p > 1$. Lastly, we experimentally show that for a wide class of matrices in real-world datasets, the total sensitivity can be quickly approximated and is significantly smaller than the theoretical prediction, demonstrating that real-world datasets have low intrinsic effective dimensionality.

In this paper we consider a nonconvex unconstrained optimization problem minimizing a twice differentiable objective function with H\"older continuous Hessian. Specifically, we first propose a Newton-conjugate gradient (Newton-CG) method for finding an approximate first-order stationary point (FOSP) of this problem, assuming the associated the H\"older parameters are explicitly known. Then we develop a parameter-free Newton-CG method without requiring any prior knowledge of these parameters. To the best of our knowledge, this method is the first parameter-free second-order method achieving the best-known iteration and operation complexity for finding an approximate FOSP of this problem. Furthermore, we propose a Newton-CG method for finding an approximate second-order stationary point (SOSP) of the considered problem with high probability and establish its iteration and operation complexity. Finally, we present preliminary numerical results to demonstrate the superior practical performance of our parameter-free Newton-CG method over a well-known regularized Newton method.

Drawing from discussions at the inaugural DMLR workshop at ICML 2023 and meetings prior, in this report we outline the relevance of community engagement and infrastructure development for the creation of next-generation public datasets that will advance machine learning science. We chart a path forward as a collective effort to sustain the creation and maintenance of these datasets and methods towards positive scientific, societal and business impact.

Traditional spectral analysis methods are increasingly challenged by the exploding volumes of data produced by contemporary astronomical surveys. In response, we develop deep-Regularized Ensemble-based Multi-task Learning with Asymmetric Loss for Probabilistic Inference ($\rm{deep-REMAP}$), a novel framework that utilizes the rich synthetic spectra from the PHOENIX library and observational data from the MARVELS survey to accurately predict stellar atmospheric parameters. By harnessing advanced machine learning techniques, including multi-task learning and an innovative asymmetric loss function, $\rm{deep-REMAP}$ demonstrates superior predictive capabilities in determining effective temperature, surface gravity, and metallicity from observed spectra. Our results reveal the framework's effectiveness in extending to other stellar libraries and properties, paving the way for more sophisticated and automated techniques in stellar characterization.

Machine learning provides a valuable tool for analyzing high-dimensional functional neuroimaging data, and is proving effective in predicting various neurological conditions, psychiatric disorders, and cognitive patterns. In functional magnetic resonance imaging (MRI) research, interactions between brain regions are commonly modeled using graph-based representations. The potency of graph machine learning methods has been established across myriad domains, marking a transformative step in data interpretation and predictive modeling. Yet, despite their promise, the transposition of these techniques to the neuroimaging domain has been challenging due to the expansive number of potential preprocessing pipelines and the large parameter search space for graph-based dataset construction. In this paper, we introduce NeuroGraph, a collection of graph-based neuroimaging datasets, and demonstrated its utility for predicting multiple categories of behavioral and cognitive traits. We delve deeply into the dataset generation search space by crafting 35 datasets that encompass static and dynamic brain connectivity, running in excess of 15 baseline methods for benchmarking. Additionally, we provide generic frameworks for learning on both static and dynamic graphs. Our extensive experiments lead to several key observations. Notably, using correlation vectors as node features, incorporating larger number of regions of interest, and employing sparser graphs lead to improved performance. To foster further advancements in graph-based data driven neuroimaging analysis, we offer a comprehensive open-source Python package that includes the benchmark datasets, baseline implementations, model training, and standard evaluation.

Reinforcement learning (RL) has shown great promise with algorithms learning in environments with large state and action spaces purely from scalar reward signals. A crucial challenge for current deep RL algorithms is that they require a tremendous amount of environment interactions for learning. This can be infeasible in situations where such interactions are expensive; such as in robotics. Offline RL algorithms try to address this issue by bootstrapping the learning process from existing logged data without needing to interact with the environment from the very beginning. While online RL algorithms are typically evaluated as a function of the number of environment interactions, there exists no single established protocol for evaluating offline RL methods.In this paper, we propose a sequential approach to evaluate offline RL algorithms as a function of the training set size and thus by their data efficiency. Sequential evaluation provides valuable insights into the data efficiency of the learning process and the robustness of algorithms to distribution changes in the dataset while also harmonizing the visualization of the offline and online learning phases. Our approach is generally applicable and easy to implement. We compare several existing offline RL algorithms using this approach and present insights from a variety of tasks and offline datasets.

MathGloss is a project to create a knowledge graph (KG) for undergraduate mathematics from text, automatically, using modern natural language processing (NLP) tools and resources already available on the web. MathGloss is a linked database of undergraduate concepts in mathematics. So far, it combines five resources: (i) Wikidata, a collaboratively edited, multilingual knowledge graph hosted by the Wikimedia Foundation, (ii) terms covered in mathematics courses at the University of Chicago, (iii) the syllabus of the French undergraduate mathematics curriculum which includes hyperlinks to the automated theorem prover Lean 4, (iv) MuLiMa, a multilingual dictionary of mathematics curated by mathematicians, and (v) the nLab, a wiki for category theory also curated by mathematicians. MathGloss's goal is to bring together resources for learning mathematics and to allow every mathematician to tailor their learning to their own preferences. Moreover, by organizing different resources for learning undergraduate mathematics alongside those for learning formal mathematics, we hope to make it easier for mathematicians and formal tools (theorem provers, computer algebra systems, etc) experts to "understand" each other and break down some of the barriers to formal math.

Systematic literature reviews (SLRs) play an essential role in summarising, synthesising and validating scientific evidence. In recent years, there has been a growing interest in using machine learning techniques to automate the identification of relevant studies for SLRs. However, the lack of standardised evaluation datasets makes comparing the performance of such automated literature screening systems difficult. In this paper, we analyse the citation screening evaluation datasets, revealing that many of the available datasets are either too small, suffer from data leakage or have limited applicability to systems treating automated literature screening as a classification task, as opposed to, for example, a retrieval or question-answering task. To address these challenges, we introduce CSMeD, a meta-dataset consolidating nine publicly released collections, providing unified access to 325 SLRs from the fields of medicine and computer science. CSMeD serves as a comprehensive resource for training and evaluating the performance of automated citation screening models. Additionally, we introduce CSMeD-FT, a new dataset designed explicitly for evaluating the full text publication screening task. To demonstrate the utility of CSMeD, we conduct experiments and establish baselines on new datasets.

Pre-training on graph neural networks (GNNs) aims to learn transferable knowledge for downstream tasks with unlabeled data, and it has recently become an active research area. The success of graph pre-training models is often attributed to the massive amount of input data. In this paper, however, we identify the curse of big data phenomenon in graph pre-training: more training data do not necessarily lead to better downstream performance. Motivated by this observation, we propose a better-with-less framework for graph pre-training: fewer, but carefully chosen data are fed into a GNN model to enhance pre-training. The proposed pre-training pipeline is called the data-active graph pre-training (APT) framework, and is composed of a graph selector and a pre-training model. The graph selector chooses the most representative and instructive data points based on the inherent properties of graphs as well as predictive uncertainty. The proposed predictive uncertainty, as feedback from the pre-training model, measures the confidence level of the model in the data. When fed with the chosen data, on the other hand, the pre-training model grasps an initial understanding of the new, unseen data, and at the same time attempts to remember the knowledge learned from previous data. Therefore, the integration and interaction between these two components form a unified framework (APT), in which graph pre-training is performed in a progressive and iterative way. Experiment results show that the proposed APT is able to obtain an efficient pre-training model with fewer training data and better downstream performance.

How to reduce compute and memory requirements of neural networks (NNs) without sacrificing performance? Many recent works use sparse Mixtures of Experts (MoEs) to build resource-efficient large language models (LMs). Here we introduce several novel perspectives on MoEs, presenting a general framework that unifies various methods to approximate two-layer NNs (e.g., feedforward blocks of Transformers), including product-key memories (PKMs). Leveraging insights from this framework, we propose methods to improve both MoEs and PKMs. Unlike prior work that compares MoEs with dense baselines under the compute-equal condition, our evaluation condition is parameter-equal, which is crucial to properly evaluate LMs. We show that our MoEs are competitive with the dense Transformer-XL on both the WikiText-103 and enwiki8 datasets at two different scales, while being much more resource efficient. This demonstrates that MoEs are relevant not only to extremely large LMs but also to any-scale resource-efficient LMs. Our code is public.