Learning dynamical systems is a promising avenue for scientific discoveries. However, capturing the governing dynamics in multiple environments still remains a challenge: model-based approaches rely on the fidelity of assumptions made for a single environment, whereas data-driven approaches based on neural networks are often fragile on extrapolating into the future. In this work, we develop a method of sparse regression dubbed SpReME to discover the major dynamics that underlie multiple environments. Specifically, SpReME shares a sparse structure of ordinary differential equation (ODE) across different environments in common while allowing each environment to keep the coefficients of ODE terms independently. We demonstrate that the proposed model captures the correct dynamics from multiple environments over four different dynamic systems with improved prediction performance.
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We investigate online convex optimization in non-stationary environments and choose the dynamic regret as the performance measure, defined as the difference between cumulative loss incurred by the online algorithm and that of any feasible comparator sequence. Let $T$ be the time horizon and $P_T$ be the path length that essentially reflects the non-stationarity of environments, the state-of-the-art dynamic regret is $\mathcal{O}(\sqrt{T(1+P_T)})$. Although this bound is proved to be minimax optimal for convex functions, in this paper, we demonstrate that it is possible to further enhance the guarantee for some easy problem instances, particularly when online functions are smooth. Specifically, we introduce novel online algorithms that can exploit smoothness and replace the dependence on $T$ in dynamic regret with problem-dependent quantities: the variation in gradients of loss functions, the cumulative loss of the comparator sequence, and the minimum of these two terms. These quantities are at most $\mathcal{O}(T)$ while could be much smaller in benign environments. Therefore, our results are adaptive to the intrinsic difficulty of the problem, since the bounds are tighter than existing results for easy problems and meanwhile guarantee the same rate in the worst case. Notably, our proposed algorithms can achieve favorable dynamic regret with only one gradient per iteration, sharing the same gradient query complexity as the static regret minimization methods. To accomplish this, we introduce the framework of collaborative online ensemble. The proposed framework employs a two-layer online ensemble to handle non-stationarity, and uses optimistic online learning and further introduces crucial correction terms to facilitate effective collaboration within the meta-base two layers, thereby attaining adaptivity. We believe that the framework can be useful for broader problems.
Interacting particle systems are ubiquitous in nature and engineering. Revealing particle interaction laws is of fundamental importance but also particularly challenging due to underlying configurational complexities. Recently developed machine learning methods show great potential in discovering pairwise interactions from particle trajectories in homogeneous systems. However, they fail to reveal interactions in heterogeneous systems that are prevalent in reality, where multiple interaction types coexist simultaneously and relational inference is required. Here, we propose a novel probabilistic method for relational inference, which possesses two distinctive characteristics compared to existing methods. First, it infers the interaction types of different edges collectively, and second, it uses a physics-induced graph neural network to learn physics-consistent pairwise interactions. We evaluate the proposed methodology across several benchmark datasets and demonstrate that it is consistent with the underlying physics. Furthermore, we showcase its ability to outperform existing methods in accurately inferring interaction types. In addition, the proposed model is data-efficient and generalizable to large systems when trained on smaller ones, which contrasts with previously proposed solutions. The developed methodology constitutes a key element for the discovery of the fundamental laws that determine macroscopic mechanical properties of particle systems.
Medical studies frequently require to extract the relationship between each covariate and the outcome with statistical confidence measures. To do this, simple parametric models are frequently used (e.g. coefficients of linear regression) but usually fitted on the whole dataset. However, it is common that the covariates may not have a uniform effect over the whole population and thus a unified simple model can miss the heterogeneous signal. For example, a linear model may be able to explain a subset of the data but fail on the rest due to the nonlinearity and heterogeneity in the data. In this paper, we propose DDGroup (data-driven group discovery), a data-driven method to effectively identify subgroups in the data with a uniform linear relationship between the features and the label. DDGroup outputs an interpretable region in which the linear model is expected to hold. It is simple to implement and computationally tractable for use. We show theoretically that, given a large enough sample, DDGroup recovers a region where a single linear model with low variance is well-specified (if one exists), and experiments on real-world medical datasets confirm that it can discover regions where a local linear model has improved performance. Our experiments also show that DDGroup can uncover subgroups with qualitatively different relationships which are missed by simply applying parametric approaches to the whole dataset.
The well-known discrete Fourier transform (DFT) can easily be generalized to arbitrary nodes in the spatial domain. The fast procedure for this generalization is referred to as nonequispaced fast Fourier transform (NFFT). Various applications such as MRI, solution of PDEs, etc., are interested in the inverse problem, i.e., computing Fourier coefficients from given nonequispaced data. In this paper we survey different kinds of approaches to tackle this problem. In contrast to iterative procedures, where multiple iteration steps are needed for computing a solution, we focus especially on so-called direct inversion methods. We review density compensation techniques and introduce a new scheme that leads to an exact reconstruction for trigonometric polynomials. In addition, we consider a matrix optimization approach using Frobenius norm minimization to obtain an inverse NFFT.
Recovering the latent factors of variation of high dimensional data has so far focused on simple synthetic settings. Mostly building on unsupervised and weakly-supervised objectives, prior work missed out on the positive implications for representation learning on real world data. In this work, we propose to leverage knowledge extracted from a diversified set of supervised tasks to learn a common disentangled representation. Assuming each supervised task only depends on an unknown subset of the factors of variation, we disentangle the feature space of a supervised multi-task model, with features activating sparsely across different tasks and information being shared as appropriate. Importantly, we never directly observe the factors of variations but establish that access to multiple tasks is sufficient for identifiability under sufficiency and minimality assumptions. We validate our approach on six real world distribution shift benchmarks, and different data modalities (images, text), demonstrating how disentangled representations can be transferred to real settings.
This study proposes an interpretable neural network-based non-proportional odds model (N3POM) for ordinal regression. In the model, the response variable can take continuous values, and the regression coefficients vary depending on the predicting ordinal response. Contrary to conventional approaches, where the linear coefficients of regression are directly estimated from the discrete response, we train a non-linear neural network that outputs the linear coefficients by taking the response as its input. By virtue of the neural network, N3POM may have flexibility while preserving the interpretability of the conventional ordinal regression. We show a sufficient condition under which the predicted conditional cumulative probability (CCP) locally satisfies the monotonicity constraint over a user-specified region in the covariate space. We also provide a monotonicity-preserving stochastic (MPS) algorithm for adequately training the neural network.
Recommender systems predict what items a user will interact with next, based on their past interactions. The problem is often approached through supervised learning, but recent advancements have shifted towards policy optimization of rewards (e.g., user engagement). One challenge with the latter is policy mismatch: we are only able to train a new policy given data collected from a previously-deployed policy. The conventional way to address this problem is through importance sampling correction, but this comes with practical limitations. We suggest an alternative approach of local policy improvement without off-policy correction. Our method computes and optimizes a lower bound of expected reward of the target policy, which is easy to estimate from data and does not involve density ratios (such as those appearing in importance sampling correction). This local policy improvement paradigm is ideal for recommender systems, as previous policies are typically of decent quality and policies are updated frequently. We provide empirical evidence and practical recipes for applying our technique in a sequential recommendation setting.
Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.
Since the cyberspace consolidated as fifth warfare dimension, the different actors of the defense sector began an arms race toward achieving cyber superiority, on which research, academic and industrial stakeholders contribute from a dual vision, mostly linked to a large and heterogeneous heritage of developments and adoption of civilian cybersecurity capabilities. In this context, augmenting the conscious of the context and warfare environment, risks and impacts of cyber threats on kinetic actuations became a critical rule-changer that military decision-makers are considering. A major challenge on acquiring mission-centric Cyber Situational Awareness (CSA) is the dynamic inference and assessment of the vertical propagations from situations that occurred at the mission supportive Information and Communications Technologies (ICT), up to their relevance at military tactical, operational and strategical views. In order to contribute on acquiring CSA, this paper addresses a major gap in the cyber defence state-of-the-art: the dynamic identification of Key Cyber Terrains (KCT) on a mission-centric context. Accordingly, the proposed KCT identification approach explores the dependency degrees among tasks and assets defined by commanders as part of the assessment criteria. These are correlated with the discoveries on the operational network and the asset vulnerabilities identified thorough the supported mission development. The proposal is presented as a reference model that reveals key aspects for mission-centric KCT analysis and supports its enforcement and further enforcement by including an illustrative application case.
Many natural language processing tasks solely rely on sparse dependencies between a few tokens in a sentence. Soft attention mechanisms show promising performance in modeling local/global dependencies by soft probabilities between every two tokens, but they are not effective and efficient when applied to long sentences. By contrast, hard attention mechanisms directly select a subset of tokens but are difficult and inefficient to train due to their combinatorial nature. In this paper, we integrate both soft and hard attention into one context fusion model, "reinforced self-attention (ReSA)", for the mutual benefit of each other. In ReSA, a hard attention trims a sequence for a soft self-attention to process, while the soft attention feeds reward signals back to facilitate the training of the hard one. For this purpose, we develop a novel hard attention called "reinforced sequence sampling (RSS)", selecting tokens in parallel and trained via policy gradient. Using two RSS modules, ReSA efficiently extracts the sparse dependencies between each pair of selected tokens. We finally propose an RNN/CNN-free sentence-encoding model, "reinforced self-attention network (ReSAN)", solely based on ReSA. It achieves state-of-the-art performance on both Stanford Natural Language Inference (SNLI) and Sentences Involving Compositional Knowledge (SICK) datasets.
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