One of the main challenges in surrogate modeling is the limited availability of data due to resource constraints associated with computationally expensive simulations. Multi-fidelity methods provide a solution by chaining models in a hierarchy with increasing fidelity, associated with lower error, but increasing cost. In this paper, we compare different multi-fidelity methods employed in constructing Gaussian process surrogates for regression. Non-linear autoregressive methods in the existing literature are primarily confined to two-fidelity models, and we extend these methods to handle more than two levels of fidelity. Additionally, we propose enhancements for an existing method incorporating delay terms by introducing a structured kernel. We demonstrate the performance of these methods across various academic and real-world scenarios. Our findings reveal that multi-fidelity methods generally have a smaller prediction error for the same computational cost as compared to the single-fidelity method, although their effectiveness varies across different scenarios.

We study the problem of learning directed acyclic graphs from continuous observational data, generated according to a linear Gaussian structural equation model. State-of-the-art structure learning methods for this setting have at least one of the following shortcomings: i) they cannot provide optimality guarantees and can suffer from learning sub-optimal models; ii) they rely on the stringent assumption that the noise is homoscedastic, and hence the underlying model is fully identifiable. We overcome these shortcomings and develop a computationally efficient mixed-integer programming framework for learning medium-sized problems that accounts for arbitrary heteroscedastic noise. We present an early stopping criterion under which we can terminate the branch-and-bound procedure to achieve an asymptotically optimal solution and establish the consistency of this approximate solution. In addition, we show via numerical experiments that our method outperforms three state-of-the-art algorithms and is robust to noise heteroscedasticity, whereas the performance of the competing methods deteriorates under strong violations of the identifiability assumption. The software implementation of our method is available as the Python package \emph{micodag}.

Effective causal discovery is essential for learning the causal graph from observational data. The linear non-Gaussian acyclic model (LiNGAM) operates under the assumption of a linear data generating process with non-Gaussian noise in determining the causal graph. Its assumption of unmeasured confounders being absent, however, poses practical limitations. In response, empirical research has shown that the reformulation of LiNGAM as a shortest path problem (LiNGAM-SPP) addresses this limitation. Within LiNGAM-SPP, mutual information is chosen to serve as the measure of independence. A challenge is introduced - parameter tuning is now needed due to its reliance on kNN mutual information estimators. The paper proposes a threefold enhancement to the LiNGAM-SPP framework. First, the need for parameter tuning is eliminated by using the pairwise likelihood ratio in lieu of kNN-based mutual information. This substitution is validated on a general data generating process and benchmark real-world data sets, outperforming existing methods especially when given a larger set of features. The incorporation of prior knowledge is then enabled by a node-skipping strategy implemented on the graph representation of all causal orderings to eliminate violations based on the provided input of relative orderings. Flexibility relative to existing approaches is achieved. Last among the three enhancements is the utilization of the distribution of paths in the graph representation of all causal orderings. From this, crucial properties of the true causal graph such as the presence of unmeasured confounders and sparsity may be inferred. To some extent, the expected performance of the causal discovery algorithm may be predicted. The refinements above advance the practicality and performance of LiNGAM-SPP, showcasing the potential of graph-search-based methodologies in advancing causal discovery.

Reinforcement Learning From Human Feedback (RLHF) has been a critical to the success of the latest generation of generative AI models. In response to the complex nature of the classical RLHF pipeline, direct alignment algorithms such as Direct Preference Optimization (DPO) have emerged as an alternative approach. Although DPO solves the same objective as the standard RLHF setup, there is a mismatch between the two approaches. Standard RLHF deploys reinforcement learning in a specific token-level MDP, while DPO is derived as a bandit problem in which the whole response of the model is treated as a single arm. In this work we rectify this difference, first we theoretically show that we can derive DPO in the token-level MDP as a general inverse Q-learning algorithm, which satisfies the Bellman equation. Using our theoretical results, we provide three concrete empirical insights. First, we show that because of its token level interpretation, DPO is able to perform some type of credit assignment. Next, we prove that under the token level formulation, classical search-based algorithms, such as MCTS, which have recently been applied to the language generation space, are equivalent to likelihood-based search on a DPO policy. Empirically we show that a simple beam search yields meaningful improvement over the base DPO policy. Finally, we show how the choice of reference policy causes implicit rewards to decline during training. We conclude by discussing applications of our work, including information elicitation in multi-tun dialogue, reasoning, agentic applications and end-to-end training of multi-model systems.

Rapidly Exploring Random Tree (RRT) algorithms, notably used for nonholonomic vehicle navigation in complex environments, are often not thoroughly evaluated for their specific challenges. This paper presents a first such comparison study of the variants Potential-Quick RRT* (PQ-RRT*), Informed RRT* (IRRT*), RRT*, and RRT, in maritime single-query nonholonomic motion planning. Additionally, the practicalities of using these algorithms in maritime environments are discussed and outlined. We also contend that these algorithms are beneficial not only for trajectory planning in Collision Avoidance Systems (CAS) but also for CAS verification when used as vessel behavior generators. Optimal RRT variants tend to produce more distance-optimal paths but require more computational time due to complex tree wiring and nearest neighbor searches. Our findings, supported by Welch`s t-test at a significance level of Alpha = 0.05, indicate that PQ-RRT* slightly outperform IRRT* and RRT* in achieving shorter trajectory length but at the expense of higher tuning complexity and longer run-times. Based on the results, we argue that these RRT algorithms are better suited for smaller-scale problems or environments with low obstacle congestion ratio. This is attributed to the curse of dimensionality, and trade-off with available memory and computational resources.

Pre-processing for whole slide images can affect classification performance both in the training and inference stages. Our study analyzes the impact of pre-processing parameters on inference and training across single- and multiple-domain datasets. However, searching for an optimal parameter set is time-consuming. To overcome this, we propose a novel Similarity-based Simulated Annealing approach for fast parameter tuning to enhance inference performance on single-domain data. Our method demonstrates significant performance improvements in accuracy, which raise accuracy from 0.512 to 0.847 in a single domain. We further extend our insight into training performance in multi-domain data by employing a novel Bayesian optimization to search optimal pre-processing parameters, resulting in a high AUC of 0.967. We highlight that better pre-processing for WSI can contribute to further accuracy improvement in the histology area.

We propose PyTorchGeoNodes, a differentiable module for reconstructing 3D objects from images using interpretable shape programs. In comparison to traditional CAD model retrieval methods, the use of shape programs for 3D reconstruction allows for reasoning about the semantic properties of reconstructed objects, editing, low memory footprint, etc. However, the utilization of shape programs for 3D scene understanding has been largely neglected in past works. As our main contribution, we enable gradient-based optimization by introducing a module that translates shape programs designed in Blender, for example, into efficient PyTorch code. We also provide a method that relies on PyTorchGeoNodes and is inspired by Monte Carlo Tree Search (MCTS) to jointly optimize discrete and continuous parameters of shape programs and reconstruct 3D objects for input scenes. In our experiments, we apply our algorithm to reconstruct 3D objects in the ScanNet dataset and evaluate our results against CAD model retrieval-based reconstructions. Our experiments indicate that our reconstructions match well the input scenes while enabling semantic reasoning about reconstructed objects.

We consider a variant of continuous-state partially-observable stochastic games with neural perception mechanisms and an asymmetric information structure. One agent has partial information, with the observation function implemented as a neural network, while the other agent is assumed to have full knowledge of the state. We present, for the first time, an efficient online method to compute an $\varepsilon$-minimax strategy profile, which requires only one linear program to be solved for each agent at every stage, instead of a complex estimation of opponent counterfactual values. For the partially-informed agent, we propose a continual resolving approach which uses lower bounds, pre-computed offline with heuristic search value iteration (HSVI), instead of opponent counterfactual values. This inherits the soundness of continual resolving at the cost of pre-computing the bound. For the fully-informed agent, we propose an inferred-belief strategy, where the agent maintains an inferred belief about the belief of the partially-informed agent based on (offline) upper bounds from HSVI, guaranteeing $\varepsilon$-distance to the value of the game at the initial belief known to both agents.

We introduce the Multi-Robot Connected Fermat Spiral (MCFS), a novel algorithmic framework for Multi-Robot Coverage Path Planning (MCPP) that adapts Connected Fermat Spiral (CFS) from the computer graphics community to multi-robot coordination for the first time. MCFS uniquely enables the orchestration of multiple robots to generate coverage paths that contour around arbitrarily shaped obstacles, a feature that is notably lacking in traditional methods. Our framework not only enhances area coverage and optimizes task performance, particularly in terms of makespan, for workspaces rich in irregular obstacles but also addresses the challenges of path continuity and curvature critical for non-holonomic robots by generating smooth paths without decomposing the workspace. MCFS solves MCPP by constructing a graph of isolines and transforming MCPP into a combinatorial optimization problem, aiming to minimize the makespan while covering all vertices. Our contributions include developing a unified CFS version for scalable and adaptable MCPP, extending it to MCPP with novel optimization techniques for cost reduction and path continuity and smoothness, and demonstrating through extensive experiments that MCFS outperforms existing MCPP methods in makespan, path curvature, coverage ratio, and overlapping ratio. Our research marks a significant step in MCPP, showcasing the fusion of computer graphics and automated planning principles to advance the capabilities of multi-robot systems in complex environments. Our code is available at https://github.com/reso1/MCFS.

For natural language understanding and generation, embedding concepts using an order-based representation is an essential task. Unlike traditional point vector based representation, an order-based representation imposes geometric constraints on the representation vectors for explicitly capturing various semantic relationships that may exist between a pair of concepts. In existing literature, several approaches on order-based embedding have been proposed, mostly focusing on capturing hierarchical relationships; examples include vectors in Euclidean space, complex, Hyperbolic, order, and Box Embedding. Box embedding creates region-based rich representation of concepts, but along the process it sacrifices simplicity, requiring a custom-made optimization scheme for learning the representation. Hyperbolic embedding improves embedding quality by exploiting the ever-expanding property of Hyperbolic space, but it also suffers from the same fate as box embedding as gradient descent like optimization is not simple in the Hyperbolic space. In this work, we propose Binder, a novel approach for order-based representation. Binder uses binary vectors for embedding, so the embedding vectors are compact with an order of magnitude smaller footprint than other methods. Binder uses a simple and efficient optimization scheme for learning representation vectors with a linear time complexity. Our comprehensive experimental results show that Binder is very accurate, yielding competitive results on the representation task. But Binder stands out from its competitors on the transitive closure link prediction task as it can learn concept embeddings just from the direct edges, whereas all existing order-based approaches rely on the indirect edges.