We focus on learning unknown dynamics from data using ODE-nets templated on implicit numerical initial value problem solvers. First, we perform Inverse Modified error analysis of the ODE-nets using unrolled implicit schemes for ease of interpretation. It is shown that training an ODE-net using an unrolled implicit scheme returns a close approximation of an Inverse Modified Differential Equation (IMDE). In addition, we establish a theoretical basis for hyper-parameter selection when training such ODE-nets, whereas current strategies usually treat numerical integration of ODE-nets as a black box. We thus formulate an adaptive algorithm which monitors the level of error and adapts the number of (unrolled) implicit solution iterations during the training process, so that the error of the unrolled approximation is less than the current learning loss. This helps accelerate training, while maintaining accuracy. Several numerical experiments are performed to demonstrate the advantages of the proposed algorithm compared to nonadaptive unrollings, and validate the theoretical analysis. We also note that this approach naturally allows for incorporating partially known physical terms in the equations, giving rise to what is termed ``gray box" identification.
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There have been wide spread claims in the literature about the emergent reasoning capabilities of Pretrained Large Language Models. However, recent studies, have found that their ability to plan remains questionable. Through our experiments using GPT-2, we empirically demonstrate that the performance of a finetuned baseline remains poor because it violates pre-conditions of actions in the plans that it generates. To improve the planning capabilities of a finetuned LLM, we train a verifier, which can classify actions as being valid or invalid in a particular state. By randomly sampling actions from the same dataset, we generate examples of invalid actions which are then used to train a verifier which can check for action applicability. In the presence of diverse sampling from a generator and a verifier which can prune invalid trajectories, we show significant gains in the success rate on the Blocksworld domain. Additionally, we show that finetuning the GPT-2 generator itself to create the verifier generalizes better than finetuning the base GPT-2. Lastly, we investigate the role of the sampling temperature which can be used to control the exploration-exploitation tradeoff.
In recent years, domains such as natural language processing and image recognition have popularized the paradigm of using large datasets to pretrain representations that can be effectively transferred to downstream tasks. In this work we evaluate how such a paradigm should be done in imitation learning, where both pretraining and finetuning data are trajectories collected by experts interacting with an unknown environment. Namely, we consider a setting where the pretraining corpus consists of multitask demonstrations and the task for each demonstration is set by an unobserved latent context variable. The goal is to use the pretraining corpus to learn a low dimensional representation of the high dimensional (e.g., visual) observation space which can be transferred to a novel context for finetuning on a limited dataset of demonstrations. Among a variety of possible pretraining objectives, we argue that inverse dynamics modeling -- i.e., predicting an action given the observations appearing before and after it in the demonstration -- is well-suited to this setting. We provide empirical evidence of this claim through evaluations on a variety of simulated visuomotor manipulation problems. While previous work has attempted various theoretical explanations regarding the benefit of inverse dynamics modeling, we find that these arguments are insufficient to explain the empirical advantages often observed in our settings, and so we derive a novel analysis using a simple but general environment model.
In deep learning, often the training process finds an interpolator (a solution with 0 training loss), but the test loss is still low. This phenomenon, known as benign overfitting, is a major mystery that received a lot of recent attention. One common mechanism for benign overfitting is implicit regularization, where the training process leads to additional properties for the interpolator, often characterized by minimizing certain norms. However, even for a simple sparse linear regression problem $y = \beta^{*\top} x +\xi$ with sparse $\beta^*$, neither minimum $\ell_1$ or $\ell_2$ norm interpolator gives the optimal test loss. In this work, we give a different parametrization of the model which leads to a new implicit regularization effect that combines the benefit of $\ell_1$ and $\ell_2$ interpolators. We show that training our new model via gradient descent leads to an interpolator with near-optimal test loss. Our result is based on careful analysis of the training dynamics and provides another example of implicit regularization effect that goes beyond norm minimization.
Simulation models of critical systems often have parameters that need to be calibrated using observed data. For expensive simulation models, calibration is done using an emulator of the simulation model built on simulation output at different parameter settings. Using intelligent and adaptive selection of parameters to build the emulator can drastically improve the efficiency of the calibration process. The article proposes a sequential framework with a novel criterion for parameter selection that targets learning the posterior density of the parameters. The emergent behavior from this criterion is that exploration happens by selecting parameters in uncertain posterior regions while simultaneously exploitation happens by selecting parameters in regions of high posterior density. The advantages of the proposed method are illustrated using several simulation experiments and a nuclear physics reaction model.
The importance of variable selection for clustering has been recognized for some time, and mixture models are well-established as a statistical approach to clustering. Yet, the literature on variable selection in model-based clustering remains largely rooted in the assumption of Gaussian clusters. Unsurprisingly, variable selection algorithms based on this assumption tend to break down in the presence of cluster skewness. A novel variable selection algorithm is presented that utilizes the Manly transformation mixture model to select variables based on their ability to separate clusters, and is effective even when clusters depart from the Gaussian assumption. The proposed approach, which is implemented within the R package vscc, is compared to existing variable selection methods -- including an existing method that can account for cluster skewness -- using simulated and real datasets.
Goal-oriented error estimation provides the ability to approximate the discretization error in a chosen functional quantity of interest. Adaptive mesh methods provide the ability to control this discretization error to obtain accurate quantity of interest approximations while still remaining computationally feasible. Traditional discrete goal-oriented error estimates incur linearization errors in their derivation. In this paper, we investigate the role of linearization errors in adaptive goal-oriented error simulations. In particular, we develop a novel two-level goal-oriented error estimate that is free of linearization errors. Additionally, we highlight how linearization errors can facilitate the verification of the adjoint solution used in goal-oriented error estimation. We then verify the newly proposed error estimate by applying it to a model nonlinear problem for several quantities of interest and further highlight its asymptotic effectiveness as mesh sizes are reduced. In an adaptive mesh context, we then compare the newly proposed estimate to a more traditional two-level goal-oriented error estimate. We highlight that accounting for linearization errors in the error estimate can improve its effectiveness in certain situations and demonstrate that localizing linearization errors can lead to more optimal adapted meshes.
A randomized algorithm for a search problem is *pseudodeterministic* if it produces a fixed canonical solution to the search problem with high probability. In their seminal work on the topic, Gat and Goldwasser posed as their main open problem whether prime numbers can be pseudodeterministically constructed in polynomial time. We provide a positive solution to this question in the infinitely-often regime. In more detail, we give an *unconditional* polynomial-time randomized algorithm $B$ such that, for infinitely many values of $n$, $B(1^n)$ outputs a canonical $n$-bit prime $p_n$ with high probability. More generally, we prove that for every dense property $Q$ of strings that can be decided in polynomial time, there is an infinitely-often pseudodeterministic polynomial-time construction of strings satisfying $Q$. This improves upon a subexponential-time construction of Oliveira and Santhanam. Our construction uses several new ideas, including a novel bootstrapping technique for pseudodeterministic constructions, and a quantitative optimization of the uniform hardness-randomness framework of Chen and Tell, using a variant of the Shaltiel--Umans generator.
We consider the adversarial linear contextual bandit setting, which allows for the loss functions associated with each of $K$ arms to change over time without restriction. Assuming the $d$-dimensional contexts are drawn from a fixed known distribution, the worst-case expected regret over the course of $T$ rounds is known to scale as $\tilde O(\sqrt{Kd T})$. Under the additional assumption that the density of the contexts is log-concave, we obtain a second-order bound of order $\tilde O(K\sqrt{d V_T})$ in terms of the cumulative second moment of the learner's losses $V_T$, and a closely related first-order bound of order $\tilde O(K\sqrt{d L_T^*})$ in terms of the cumulative loss of the best policy $L_T^*$. Since $V_T$ or $L_T^*$ may be significantly smaller than $T$, these improve over the worst-case regret whenever the environment is relatively benign. Our results are obtained using a truncated version of the continuous exponential weights algorithm over the probability simplex, which we analyse by exploiting a novel connection to the linear bandit setting without contexts.
Bayesian approaches for learning deep neural networks (BNN) have been received much attention and successfully applied to various applications. Particularly, BNNs have the merit of having better generalization ability as well as better uncertainty quantification. For the success of BNN, search an appropriate architecture of the neural networks is an important task, and various algorithms to find good sparse neural networks have been proposed. In this paper, we propose a new node-sparse BNN model which has good theoretical properties and is computationally feasible. We prove that the posterior concentration rate to the true model is near minimax optimal and adaptive to the smoothness of the true model. In particular the adaptiveness is the first of its kind for node-sparse BNNs. In addition, we develop a novel MCMC algorithm which makes the Bayesian inference of the node-sparse BNN model feasible in practice.
This work presents an approach for automating the discretization and approximation procedures in constructing digital representations of composites from Micro-CT images featuring intricate microstructures. The proposed method is guided by the Support Vector Machine (SVM) classification, offering an effective approach for discretizing microstructural images. An SVM soft margin training process is introduced as a classification of heterogeneous material points, and image segmentation is accomplished by identifying support vectors through a local regularized optimization problem. In addition, an Interface-Modified Reproducing Kernel Particle Method (IM-RKPM) is proposed for appropriate approximations of weak discontinuities across material interfaces. The proposed method modifies the smooth kernel functions with a regularized heavy-side function concerning the material interfaces to alleviate Gibb's oscillations. This IM-RKPM is formulated without introducing duplicated degrees of freedom associated with the interface nodes commonly needed in the conventional treatments of weak discontinuities in the meshfree methods. Moreover, IM-RKPM can be implemented with various domain integration techniques, such as Stabilized Conforming Nodal Integration (SCNI). The extension of the proposed method to 3-dimension is straightforward, and the effectiveness of the proposed method is validated through the image-based modeling of polymer-ceramic composite microstructures.
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