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Counterfactual prediction methods are required when a model will be deployed in a setting where treatment policies differ from the setting where the model was developed, or when the prediction question is explicitly counterfactual. However, estimating and evaluating counterfactual prediction models is challenging because one does not observe the full set of potential outcomes for all individuals. Here, we discuss how to tailor a model to a counterfactual estimand, how to assess the model's performance, and how to perform model and tuning parameter selection. We also provide identifiability results for measures of performance for a potentially misspecified counterfactual prediction model based on training and test data from the same (factual) source population. Last, we illustrate the methods using simulation and apply them to the task of developing a statin-na\"{i}ve risk prediction model for cardiovascular disease.

Within the framework of computational plasticity, recent advances show that the quasi-static response of an elasto-plastic structure under cyclic loadings may exhibit a time multiscale behaviour. In particular, the system response can be computed in terms of time microscale and macroscale modes using a weakly intrusive multi-time Proper Generalized Decomposition (MT-PGD). In this work, such micro-macro characterization of the time response is exploited to build a data-driven model of the elasto-plastic constitutive relation. This can be viewed as a predictor-corrector scheme where the prediction is driven by the macrotime evolution and the correction is performed via a sparse sampling in space. Once the nonlinear term is forecasted, the multi-time PGD algorithm allows the fast computation of the total strain. The algorithm shows considerable gains in terms of computational time, opening new perspectives in the numerical simulation of history-dependent problems defined in very large time intervals.

Many robotic systems locomote using gaits - periodic changes of internal shape, whose mechanical interaction with the robot's environment generate characteristic net displacements. Prominent examples with two shape variables are the low Reynolds number 3-link "Purcell swimmer" with inputs of 2 joint angles and the "ideal fluid" swimmer. Gait analysis of these systems allows for intelligent decisions to be made about the swimmer's locomotive properties, increasing the potential for robotic autonomy. In this work, we present comparative analysis of gait optimization using two different methods. The first method is variational approach of "Pontryagin's maximum principle" (PMP) from optimal control theory. We apply PMP for several variants of 3-link swimmers, with and without incorporation of bounds on joint angles. The second method is differential-geometric analysis of the gaits based on curvature (total Lie bracket) of the local connection for 3-link swimmers. Using optimized body-motion coordinates, contour plots of the curvature in shape space give visualization that enables identifying distance-optimal gaits as zero level sets. Combining and comparing results of the two methods enables better understanding of changes in existence, shape and topology of distance-optimal gait trajectories, depending on the swimmers' parameters.

Early sensory systems in the brain rapidly adapt to fluctuating input statistics, which requires recurrent communication between neurons. Mechanistically, such recurrent communication is often indirect and mediated by local interneurons. In this work, we explore the computational benefits of mediating recurrent communication via interneurons compared with direct recurrent connections. To this end, we consider two mathematically tractable recurrent linear neural networks that statistically whiten their inputs -- one with direct recurrent connections and the other with interneurons that mediate recurrent communication. By analyzing the corresponding continuous synaptic dynamics and numerically simulating the networks, we show that the network with interneurons is more robust to initialization than the network with direct recurrent connections in the sense that the convergence time for the synaptic dynamics in the network with interneurons (resp. direct recurrent connections) scales logarithmically (resp. linearly) with the spectrum of their initialization. Our results suggest that interneurons are computationally useful for rapid adaptation to changing input statistics. Interestingly, the network with interneurons is an overparameterized solution of the whitening objective for the network with direct recurrent connections, so our results can be viewed as a recurrent linear neural network analogue of the implicit acceleration phenomenon observed in overparameterized feedforward linear neural networks.

Neural dynamical systems with stable attractor structures, such as point attractors and continuous attractors, are hypothesized to underlie meaningful temporal behavior that requires working memory. However, working memory may not support useful learning signals necessary to adapt to changes in the temporal structure of the environment. We show that in addition to the continuous attractors that are widely implicated, periodic and quasi-periodic attractors can also support learning arbitrarily long temporal relationships. Unlike the continuous attractors that suffer from the fine-tuning problem, the less explored quasi-periodic attractors are uniquely qualified for learning to produce temporally structured behavior. Our theory has broad implications for the design of artificial learning systems and makes predictions about observable signatures of biological neural dynamics that can support temporal dependence learning and working memory. Based on our theory, we developed a new initialization scheme for artificial recurrent neural networks that outperforms standard methods for tasks that require learning temporal dynamics. Moreover, we propose a robust recurrent memory mechanism for integrating and maintaining head direction without a ring attractor.

Data-driven modeling is useful for reconstructing nonlinear dynamical systems when the underlying process is unknown or too expensive to compute. Having reliable uncertainty assessment of the forecast enables tools to be deployed to predict new scenarios unobserved before. In this work, we first extend parallel partial Gaussian processes for predicting the vector-valued transition function that links the observations between the current and next time points, and quantify the uncertainty of predictions by posterior sampling. Second, we show the equivalence between the dynamic mode decomposition and the maximum likelihood estimator of the linear mapping matrix in the linear state space model. The connection provides a data generating model of dynamic mode decomposition and thus, uncertainty of predictions can be obtained. Furthermore, we draw close connections between different data-driven models for approximating nonlinear dynamics, through a unified view of data generating models. We study two numerical examples, where the inputs of the dynamics are assumed to be known in the first example and the inputs are unknown in the second example. The examples indicate that uncertainty of forecast can be properly quantified, whereas model or input misspecification can degrade the accuracy of uncertainty quantification.

Navigating dynamic environments requires the robot to generate collision-free trajectories and actively avoid moving obstacles. Most previous works designed path planning algorithms based on one single map representation, such as the geometric, occupancy, or ESDF map. Although they have shown success in static environments, due to the limitation of map representation, those methods cannot reliably handle static and dynamic obstacles simultaneously. To address the problem, this paper proposes a gradient-based B-spline trajectory optimization algorithm utilizing the robot's onboard vision. The depth vision enables the robot to track and represent dynamic objects geometrically based on the voxel map. The proposed optimization first adopts the circle-based guide-point algorithm to approximate the costs and gradients for avoiding static obstacles. Then, with the vision-detected moving objects, our receding-horizon distance field is simultaneously used to prevent dynamic collisions. Finally, the iterative re-guide strategy is applied to generate the collision-free trajectory. The simulation and physical experiments prove that our method can run in real-time to navigate dynamic environments safely.

In sampling-based Bayesian models of brain function, neural activities are assumed to be samples from probability distributions that the brain uses for probabilistic computation. However, a comprehensive understanding of how mechanistic models of neural dynamics can sample from arbitrary distributions is still lacking. We use tools from functional analysis and stochastic differential equations to explore the minimum architectural requirements for $\textit{recurrent}$ neural circuits to sample from complex distributions. We first consider the traditional sampling model consisting of a network of neurons whose outputs directly represent the samples (sampler-only network). We argue that synaptic current and firing-rate dynamics in the traditional model have limited capacity to sample from a complex probability distribution. We show that the firing rate dynamics of a recurrent neural circuit with a separate set of output units can sample from an arbitrary probability distribution. We call such circuits reservoir-sampler networks (RSNs). We propose an efficient training procedure based on denoising score matching that finds recurrent and output weights such that the RSN implements Langevin sampling. We empirically demonstrate our model's ability to sample from several complex data distributions using the proposed neural dynamics and discuss its applicability to developing the next generation of sampling-based brain models.

Traditionally, the detection of fraudulent insurance claims relies on business rules and expert judgement which makes it a time-consuming and expensive process (\'Oskarsd\'ottir et al., 2022). Consequently, researchers have been examining ways to develop efficient and accurate analytic strategies to flag suspicious claims. Feeding learning methods with features engineered from the social network of parties involved in a claim is a particularly promising strategy (see for example Van Vlasselaer et al. (2016); Tumminello et al. (2023)). When developing a fraud detection model, however, we are confronted with several challenges. The uncommon nature of fraud, for example, creates a high class imbalance which complicates the development of well performing analytic classification models. In addition, only a small number of claims are investigated and get a label, which results in a large corpus of unlabeled data. Yet another challenge is the lack of publicly available data. This hinders not only the development of new methods, but also the validation of existing techniques. We therefore design a simulation machine that is engineered to create synthetic data with a network structure and available covariates similar to the real life insurance fraud data set analyzed in \'Oskarsd\'ottir et al. (2022). Further, the user has control over several data-generating mechanisms. We can specify the total number of policyholders and parties, the desired level of imbalance and the (effect size of the) features in the fraud generating model. As such, the simulation engine enables researchers and practitioners to examine several methodological challenges as well as to test their (development strategy of) insurance fraud detection models in a range of different settings. Moreover, large synthetic data sets can be generated to evaluate the predictive performance of (advanced) machine learning techniques.

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.