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The modelling of dynamical systems from discrete observations is a challenge faced by modern scientific and engineering data systems. Hamiltonian systems are one such fundamental and ubiquitous class of dynamical systems. Hamiltonian neural networks are state-of-the-art models that unsupervised-ly regress the Hamiltonian of a dynamical system from discrete observations of its vector field under the learning bias of Hamilton's equations. Yet Hamiltonian dynamics are often complicated, especially in higher dimensions where the state space of the Hamiltonian system is large relative to the number of samples. A recently discovered remedy to alleviate the complexity between state variables in the state space is to leverage the additive separability of the Hamiltonian system and embed that additive separability into the Hamiltonian neural network. Following the nomenclature of physics-informed machine learning, we propose three separable Hamiltonian neural networks. These models embed additive separability within Hamiltonian neural networks. The first model uses additive separability to quadratically scale the amount of data for training Hamiltonian neural networks. The second model embeds additive separability within the loss function of the Hamiltonian neural network. The third model embeds additive separability through the architecture of the Hamiltonian neural network using conjoined multilayer perceptions. We empirically compare the three models against state-of-the-art Hamiltonian neural networks, and demonstrate that the separable Hamiltonian neural networks, which alleviate complexity between the state variables, are more effective at regressing the Hamiltonian and its vector field.

Machine Learning's proliferation in critical fields such as healthcare, banking, and criminal justice has motivated the creation of tools which ensure trust and transparency in ML models. One such tool is Actionable Recourse (AR) for negatively impacted users. AR describes recommendations of cost-efficient changes to a user's actionable features to help them obtain favorable outcomes. Existing approaches for providing recourse optimize for properties such as proximity, sparsity, validity, and distance-based costs. However, an often-overlooked but crucial requirement for actionability is a consideration of User Preference to guide the recourse generation process. In this work, we attempt to capture user preferences via soft constraints in three simple forms: i) scoring continuous features, ii) bounding feature values and iii) ranking categorical features. Finally, we propose a gradient-based approach to identify User Preferred Actionable Recourse (UP-AR). We carried out extensive experiments to verify the effectiveness of our approach.

We consider the problem of inferring the underlying graph topology from smooth graph signals in a novel but practical scenario where data are located in distributed clients and are privacy-sensitive. The main difficulty of this task lies in how to utilize the potentially heterogeneous data of all isolated clients under privacy constraints. Towards this end, we propose a framework where personalized graphs for local clients as well as a consensus graph are jointly learned. The personalized graphs match local data distributions, thereby mitigating data heterogeneity, while the consensus graph captures the global information. We next devise a tailored algorithm to solve the induced problem without violating privacy constraints, i.e., all private data are processed locally. To further enhance privacy protection, we introduce differential privacy (DP) into the proposed algorithm to resist privacy attacks when transmitting model updates. Theoretically, we establish provable convergence analyses for the proposed algorithms, including that with DP. Finally, extensive experiments on both synthetic and real-world data are carried out to validate the proposed framework. Experimental results illustrate that our approach can learn graphs effectively in the target scenario.

Cellwise outliers are widespread in data and traditional robust methods may fail when applied to datasets under such contamination. We propose a variable selection procedure, that uses a pairwise robust estimator to obtain an initial empirical covariance matrix among the response and potentially many predictors. Then we replace the primary design matrix and the response vector with their robust counterparts based on the estimated covariance matrix. Finally, we adopt the adaptive Lasso to obtain variable selection results. The proposed approach is robust to cellwise outliers in regular and high dimensional settings and empirical results show good performance in comparison with recently proposed alternative robust approaches, particularly in the challenging setting when contamination rates are high but the magnitude of outliers is moderate. Real data applications demonstrate the practical utility of the proposed method.

There are multiple factors which can cause the phylogenetic inference process to produce two or more conflicting hypotheses of the evolutionary history of a set X of biological entities. That is: phylogenetic trees with the same set of leaf labels X but with distinct topologies. This leads naturally to the goal of quantifying the difference between two such trees T_1 and T_2. Here we introduce the problem of computing a 'maximum relaxed agreement forest' (MRAF) and use this as a proxy for the dissimilarity of T_1 and T_2, which in this article we assume to be unrooted binary phylogenetic trees. MRAF asks for a partition of the leaf labels X into a minimum number of blocks S_1, S_2, ... S_k such that for each i, the subtrees induced in T_1 and T_2 by S_i are isomorphic up to suppression of degree-2 nodes and taking the labels X into account. Unlike the earlier introduced maximum agreement forest (MAF) model, the subtrees induced by the S_i are allowed to overlap. We prove that it is NP-hard to compute MRAF, by reducing from the problem of partitioning a permutation into a minimum number of monotonic subsequences (PIMS). Furthermore, we show that MRAF has a polynomial time O(log n)-approximation algorithm where n=|X| and permits exact algorithms with single-exponential running time. When at least one of the two input trees has a caterpillar topology, we prove that testing whether a MRAF has size at most k can be answered in polynomial time when k is fixed. We also note that on two caterpillars the approximability of MRAF is related to that of PIMS. Finally, we establish a number of bounds on MRAF, compare its behaviour to MAF both in theory and in an experimental setting and discuss a number of open problems.

Collective perception is a foundational problem in swarm robotics, in which the swarm must reach consensus on a coherent representation of the environment. An important variant of collective perception casts it as a best-of-$n$ decision-making process, in which the swarm must identify the most likely representation out of a set of alternatives. Past work on this variant primarily focused on characterizing how different algorithms navigate the speed-vs-accuracy tradeoff in a scenario where the swarm must decide on the most frequent environmental feature. Crucially, past work on best-of-$n$ decision-making assumes the robot sensors to be perfect (noise- and fault-less), limiting the real-world applicability of these algorithms. In this paper, we derive from first principles an optimal, probabilistic framework for minimalistic swarm robots equipped with flawed sensors. Then, we validate our approach in a scenario where the swarm collectively decides the frequency of a certain environmental feature. We study the speed and accuracy of the decision-making process with respect to several parameters of interest. Our approach can provide timely and accurate frequency estimates even in presence of severe sensory noise.

Precision medicine is an approach for disease treatment that defines treatment strategies based on the individual characteristics of the patients. Motivated by an open problem in cancer genomics, we develop a novel model that flexibly clusters patients with similar predictive characteristics and similar treatment responses; this approach identifies, via predictive inference, which one among a set of treatments is better suited for a new patient. The proposed method is fully model-based, avoiding uncertainty underestimation attained when treatment assignment is performed by adopting heuristic clustering procedures, and belongs to the class of product partition models with covariates, here extended to include the cohesion induced by the Normalized Generalized Gamma process. The method performs particularly well in scenarios characterized by considerable heterogeneity of the predictive covariates in simulation studies. A cancer genomics case study illustrates the potential benefits in terms of treatment response yielded by the proposed approach. Finally, being model-based, the approach allows estimating clusters' specific response probabilities and then identifying patients more likely to benefit from personalized treatment.

Human doctors with well-structured medical knowledge can diagnose a disease merely via a few conversations with patients about symptoms. In contrast, existing knowledge-grounded dialogue systems often require a large number of dialogue instances to learn as they fail to capture the correlations between different diseases and neglect the diagnostic experience shared among them. To address this issue, we propose a more natural and practical paradigm, i.e., low-resource medical dialogue generation, which can transfer the diagnostic experience from source diseases to target ones with a handful of data for adaptation. It is capitalized on a commonsense knowledge graph to characterize the prior disease-symptom relations. Besides, we develop a Graph-Evolving Meta-Learning (GEML) framework that learns to evolve the commonsense graph for reasoning disease-symptom correlations in a new disease, which effectively alleviates the needs of a large number of dialogues. More importantly, by dynamically evolving disease-symptom graphs, GEML also well addresses the real-world challenges that the disease-symptom correlations of each disease may vary or evolve along with more diagnostic cases. Extensive experiment results on the CMDD dataset and our newly-collected Chunyu dataset testify the superiority of our approach over state-of-the-art approaches. Besides, our GEML can generate an enriched dialogue-sensitive knowledge graph in an online manner, which could benefit other tasks grounded on knowledge graph.

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn node representations on the fixed and homogeneous graphs. The limitations especially become problematic when learning representations on a misspecified graph or a heterogeneous graph that consists of various types of nodes and edges. In this paper, we propose Graph Transformer Networks (GTNs) that are capable of generating new graph structures, which involve identifying useful connections between unconnected nodes on the original graph, while learning effective node representation on the new graphs in an end-to-end fashion. Graph Transformer layer, a core layer of GTNs, learns a soft selection of edge types and composite relations for generating useful multi-hop connections so-called meta-paths. Our experiments show that GTNs learn new graph structures, based on data and tasks without domain knowledge, and yield powerful node representation via convolution on the new graphs. Without domain-specific graph preprocessing, GTNs achieved the best performance in all three benchmark node classification tasks against the state-of-the-art methods that require pre-defined meta-paths from domain knowledge.

This paper proposes a method to modify traditional convolutional neural networks (CNNs) into interpretable CNNs, in order to clarify knowledge representations in high conv-layers of CNNs. In an interpretable CNN, each filter in a high conv-layer represents a certain object part. We do not need any annotations of object parts or textures to supervise the learning process. Instead, the interpretable CNN automatically assigns each filter in a high conv-layer with an object part during the learning process. Our method can be applied to different types of CNNs with different structures. The clear knowledge representation in an interpretable CNN can help people understand the logics inside a CNN, i.e., based on which patterns the CNN makes the decision. Experiments showed that filters in an interpretable CNN were more semantically meaningful than those in traditional CNNs.