Extracting the interaction rules of biological agents from moving sequences pose challenges in various domains. Granger causality is a practical framework for analyzing the interactions from observed time-series data; however, this framework ignores the structures of the generative process in animal behaviors, which may lead to interpretational problems and sometimes erroneous assessments of causality. In this paper, we propose a new framework for learning Granger causality from multi-animal trajectories via augmented theory-based behavioral models with interpretable data-driven models. We adopt an approach for augmenting incomplete multi-agent behavioral models described by time-varying dynamical systems with neural networks. For efficient and interpretable learning, our model leverages theory-based architectures separating navigation and motion processes, and the theory-guided regularization for reliable behavioral modeling. This can provide interpretable signs of Granger-causal effects over time, i.e., when specific others cause the approach or separation. In experiments using synthetic datasets, our method achieved better performance than various baselines. We then analyzed multi-animal datasets of mice, flies, birds, and bats, which verified our method and obtained novel biological insights.

When data is collected in an adaptive manner, even simple methods like ordinary least squares can exhibit non-normal asymptotic behavior. As an undesirable consequence, hypothesis tests and confidence intervals based on asymptotic normality can lead to erroneous results. We propose an online debiasing estimator to correct these distributional anomalies in least squares estimation. Our proposed method takes advantage of the covariance structure present in the dataset and provides sharper estimates in directions for which more information has accrued. We establish an asymptotic normality property for our proposed online debiasing estimator under mild conditions on the data collection process, and provide asymptotically exact confidence intervals. We additionally prove a minimax lower bound for the adaptive linear regression problem, thereby providing a baseline by which to compare estimators. There are various conditions under which our proposed estimator achieves the minimax lower bound up to logarithmic factors. We demonstrate the usefulness of our theory via applications to multi-armed bandit, autoregressive time series estimation, and active learning with exploration.

Understanding the strengths and weaknesses of machine learning (ML) algorithms is crucial for determine their scope of application. Here, we introduce the DIverse and GENerative ML Benchmark (DIGEN) - a collection of synthetic datasets for comprehensive, reproducible, and interpretable benchmarking of machine learning algorithms for classification of binary outcomes. The DIGEN resource consists of 40 mathematical functions which map continuous features to discrete endpoints for creating synthetic datasets. These 40 functions were discovered using a heuristic algorithm designed to maximize the diversity of performance among multiple popular machine learning algorithms thus providing a useful test suite for evaluating and comparing new methods. Access to the generative functions facilitates understanding of why a method performs poorly compared to other algorithms thus providing ideas for improvement. The resource with extensive documentation and analyses is open-source and available on GitHub.

Being uncertain when facing the unknown is key to intelligent decision making. However, machine learning algorithms lack reliable estimates about their predictive uncertainty. This leads to wrong and overly-confident decisions when encountering classes unseen during training. Despite the importance of equipping classifiers with uncertainty estimates ready for the real world, prior work has focused on small datasets and little or no class discrepancy between training and testing data. To close this gap, we introduce UIMNET: a realistic, ImageNet-scale test-bed to evaluate predictive uncertainty estimates for deep image classifiers. Our benchmark provides implementations of eight state-of-the-art algorithms, six uncertainty measures, four in-domain metrics, three out-domain metrics, and a fully automated pipeline to train, calibrate, ensemble, select, and evaluate models. Our test-bed is open-source and all of our results are reproducible from a fixed commit in our repository. Adding new datasets, algorithms, measures, or metrics is a matter of a few lines of code-in so hoping that UIMNET becomes a stepping stone towards realistic, rigorous, and reproducible research in uncertainty estimation. Our results show that ensembles of ERM classifiers as well as single MIMO classifiers are the two best alternatives currently available to measure uncertainty about both in-domain and out-domain classes.

This chapter provides an overview of the different Artificial Intelligence (AI) systems that are being used in contemporary digital tools for Mathematics Education (ME). It is aimed at researchers in AI and Machine Learning (ML), for whom we shed some light on the specific technologies that are being used in educational applications; and at researchers in ME, for whom we clarify: i) what the possibilities of the current AI technologies are, ii) what is still out of reach and iii) what is to be expected in the near future. We start our analysis by establishing a high-level taxonomy of AI tools that are found as components in digital ME applications. Then, we describe in detail how these AI tools, and in particular ML, are being used in two key applications, specifically AI-based calculators and intelligent tutoring systems. We finish the chapter with a discussion about student modeling systems and their relationship to artificial general intelligence.

As the complexity of machine learning (ML) models increases, resulting in a lack of prediction explainability, several methods have been developed to explain a model's behavior in terms of the training data points that most influence the model. However, these methods tend to mark outliers as highly influential points, limiting the insights that practitioners can draw from points that are not representative of the training data. In this work, we take a step towards finding influential training points that also represent the training data well. We first review methods for assigning importance scores to training points. Given importance scores, we propose a method to select a set of DIVerse INfluEntial (DIVINE) training points as a useful explanation of model behavior. As practitioners might not only be interested in finding data points influential with respect to model accuracy, but also with respect to other important metrics, we show how to evaluate training data points on the basis of group fairness. Our method can identify unfairness-inducing training points, which can be removed to improve fairness outcomes. Our quantitative experiments and user studies show that visualizing DIVINE points helps practitioners understand and explain model behavior better than earlier approaches.

Instrumental variables (IVs), sources of treatment randomization that are conditionally independent of the outcome, play an important role in causal inference with unobserved confounders. However, the existing IV-based counterfactual prediction methods need well-predefined IVs, while it's an art rather than science to find valid IVs in many real-world scenes. Moreover, the predefined hand-made IVs could be weak or erroneous by violating the conditions of valid IVs. These thorny facts hinder the application of the IV-based counterfactual prediction methods. In this paper, we propose a novel Automatic Instrumental Variable decomposition (AutoIV) algorithm to automatically generate representations serving the role of IVs from observed variables (IV candidates). Specifically, we let the learned IV representations satisfy the relevance condition with the treatment and exclusion condition with the outcome via mutual information maximization and minimization constraints, respectively. We also learn confounder representations by encouraging them to be relevant to both the treatment and the outcome. The IV and confounder representations compete for the information with their constraints in an adversarial game, which allows us to get valid IV representations for IV-based counterfactual prediction. Extensive experiments demonstrate that our method generates valid IV representations for accurate IV-based counterfactual prediction.

In this paper we study test time decoding; an ubiquitous step in almost all sequential text generation task spanning across a wide array of natural language processing (NLP) problems. Our main contribution is to develop a continuous relaxation framework for the combinatorial NP-hard decoding problem and propose Disco - an efficient algorithm based on standard first order gradient based. We provide tight analysis and show that our proposed algorithm linearly converges to within $\epsilon$ neighborhood of the optima. Finally, we perform preliminary experiments on the task of adversarial text generation and show superior performance of Disco over several popular decoding approaches.

Denoising diffusion probabilistic models (DDPMs) (Ho et al. 2020) have shown impressive results on image and waveform generation in continuous state spaces. Here, we introduce Discrete Denoising Diffusion Probabilistic Models (D3PMs), diffusion-like generative models for discrete data that generalize the multinomial diffusion model of Hoogeboom et al. 2021, by going beyond corruption processes with uniform transition probabilities. This includes corruption with transition matrices that mimic Gaussian kernels in continuous space, matrices based on nearest neighbors in embedding space, and matrices that introduce absorbing states. The third allows us to draw a connection between diffusion models and autoregressive and mask-based generative models. We show that the choice of transition matrix is an important design decision that leads to improved results in image and text domains. We also introduce a new loss function that combines the variational lower bound with an auxiliary cross entropy loss. For text, this model class achieves strong results on character-level text generation while scaling to large vocabularies on LM1B. On the image dataset CIFAR-10, our models approach the sample quality and exceed the log-likelihood of the continuous-space DDPM model.

This is the general blog of quantum machine learning. Subsequent articles will be on specific terms and terminology of quantum computing, mechanics and other things. Quantum-enhanced machine learning refers to quantum algorithms that solve task in machine learning, thereby improving and often expediting classical machine learning techniques. Such algorithms typically require one to encode the given classical data set into a quantum computer to make it accessible for quantum information processing. Subsequently, quantum information science routines are applied and therefore the results of the quantum computation is read out by measuring the quantum system.