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Bayesian optimal design of experiments is a well-established approach to planning experiments. Briefly, a probability distribution, known as a statistical model, for the responses is assumed which is dependent on a vector of unknown parameters. A utility function is then specified which gives the gain in information for estimating the true value of the parameters using the Bayesian posterior distribution. A Bayesian optimal design is given by maximising the expectation of the utility with respect to the joint distribution given by the statistical model and prior distribution for the true parameter values. The approach takes account of the experimental aim via specification of the utility and of all assumed sources of uncertainty via the expected utility. However, it is predicated on the specification of the statistical model. Recently, a new type of statistical inference, known as Gibbs (or General Bayesian) inference, has been advanced. This is Bayesian-like, in that uncertainty on unknown quantities is represented by a posterior distribution, but does not necessarily rely on specification of a statistical model. Thus the resulting inference should be less sensitive to misspecification of the statistical model. The purpose of this paper is to propose Gibbs optimal design: a framework for optimal design of experiments for Gibbs inference. The concept behind the framework is introduced along with a computational approach to find Gibbs optimal designs in practice. The framework is demonstrated on exemplars including linear models, and experiments with count and time-to-event responses.

We develop a novel approach towards causal inference. Rather than structural equations over a causal graph, we learn stochastic differential equations (SDEs) whose stationary densities model a system's behavior under interventions. These stationary diffusion models do not require the formalism of causal graphs, let alone the common assumption of acyclicity. We show that in several cases, they generalize to unseen interventions on their variables, often better than classical approaches. Our inference method is based on a new theoretical result that expresses a stationarity condition on the diffusion's generator in a reproducing kernel Hilbert space. The resulting kernel deviation from stationarity (KDS) is an objective function of independent interest.

Uniform continuity bounds on entropies are generally expressed in terms of a single distance measure between a pair of probability distributions or quantum states, typically, the total variation distance or trace distance. However, if an additional distance measure between the probability distributions or states is known, then the continuity bounds can be significantly strengthened. Here, we prove a tight uniform continuity bound for the Shannon entropy in terms of both the local- and total variation distances, sharpening an inequality proven in [I. Sason, IEEE Trans. Inf. Th., 59, 7118 (2013)]. We also obtain a uniform continuity bound for the von Neumann entropy in terms of both the operator norm- and trace distances. The bound is tight when the quotient of the trace distance by the operator norm distance is an integer. We then apply our results to compute upper bounds on the quantum- and private classical capacities of channels. We begin by refining the concept of approximate degradable channels, namely, $\varepsilon$-degradable channels, which are, by definition, $\varepsilon$-close in diamond norm to their complementary channel when composed with a degrading channel. To this end, we introduce the notion of $(\varepsilon,\nu)$-degradable channels; these are $\varepsilon$-degradable channels that are, in addition, $\nu$-close in completely bounded spectral norm to their complementary channel, when composed with the same degrading channel. This allows us to derive improved upper bounds to the quantum- and private classical capacities of such channels. Moreover, these bounds can be further improved by considering certain unstabilized versions of the above norms. We show that upper bounds on the latter can be efficiently expressed as semidefinite programs. We illustrate our results by obtaining a new upper bound on the quantum capacity of the qubit depolarizing channel.

Simulation-based inference has been popular for amortized Bayesian computation. It is typical to have more than one posterior approximation, from different inference algorithms, different architectures, or simply the randomness of initialization and stochastic gradients. With a provable asymptotic guarantee, we present a general stacking framework to make use of all available posterior approximations. Our stacking method is able to combine densities, simulation draws, confidence intervals, and moments, and address the overall precision, calibration, coverage, and bias at the same time. We illustrate our method on several benchmark simulations and a challenging cosmological inference task.

The categorical models of the differential lambda-calculus are additive categories because of the Leibniz rule which requires the summation of two expressions. This means that, as far as the differential lambda-calculus and differential linear logic are concerned, these models feature finite non-determinism and indeed these languages are essentially non-deterministic. In a previous paper we introduced a categorical framework for differentiation which does not require additivity and is compatible with deterministic models such as coherence spaces and probabilistic models such as probabilistic coherence spaces. Based on this semantics we develop a syntax of a deterministic version of the differential lambda-calculus. One nice feature of this new approach to differentiation is that it is compatible with general fixpoints of terms, so our language is actually a differential extension of PCF for which we provide a fully deterministic operational semantics.

DEtection TRansformer (DETR) and its variants (DETRs) have been successfully applied to crowded pedestrian detection, which achieved promising performance. However, we find that, in different degrees of crowded scenes, the number of DETRs' queries must be adjusted manually, otherwise, the performance would degrade to varying degrees. In this paper, we first analyze the two current query generation methods and summarize four guidelines for designing the adaptive query generation method. Then, we propose Rank-based Adaptive Query Generation (RAQG) to alleviate the problem. Specifically, we design a rank prediction head that can predict the rank of the lowest confidence positive training sample produced by the encoder. Based on the predicted rank, we design an adaptive selection method that can adaptively select coarse detection results produced by the encoder to generate queries. Moreover, to train the rank prediction head better, we propose Soft Gradient L1 Loss. The gradient of Soft Gradient L1 Loss is continuous, which can describe the relationship between the loss value and the updated value of model parameters granularly. Our method is simple and effective, which can be plugged into any DETRs to make it query-adaptive in theory. The experimental results on Crowdhuman dataset and Citypersons dataset show that our method can adaptively generate queries for DETRs and achieve competitive results. Especially, our method achieves state-of-the-art 39.4% MR on Crowdhuman dataset.

The use of pessimism, when reasoning about datasets lacking exhaustive exploration has recently gained prominence in offline reinforcement learning. Despite the robustness it adds to the algorithm, overly pessimistic reasoning can be equally damaging in precluding the discovery of good policies, which is an issue for the popular bonus-based pessimism. In this paper, we introduce the notion of Bellman-consistent pessimism for general function approximation: instead of calculating a point-wise lower bound for the value function, we implement pessimism at the initial state over the set of functions consistent with the Bellman equations. Our theoretical guarantees only require Bellman closedness as standard in the exploratory setting, in which case bonus-based pessimism fails to provide guarantees. Even in the special case of linear function approximation where stronger expressivity assumptions hold, our result improves upon a recent bonus-based approach by $\mathcal{O}(d)$ in its sample complexity when the action space is finite. Remarkably, our algorithms automatically adapt to the best bias-variance tradeoff in the hindsight, whereas most prior approaches require tuning extra hyperparameters a priori.

Given two high-dimensional Gaussians with the same mean, we prove a lower and an upper bound for their total variation distance, which are within a constant factor of one another.

Graph-centric artificial intelligence (graph AI) has achieved remarkable success in modeling interacting systems prevalent in nature, from dynamical systems in biology to particle physics. The increasing heterogeneity of data calls for graph neural architectures that can combine multiple inductive biases. However, combining data from various sources is challenging because appropriate inductive bias may vary by data modality. Multimodal learning methods fuse multiple data modalities while leveraging cross-modal dependencies to address this challenge. Here, we survey 140 studies in graph-centric AI and realize that diverse data types are increasingly brought together using graphs and fed into sophisticated multimodal models. These models stratify into image-, language-, and knowledge-grounded multimodal learning. We put forward an algorithmic blueprint for multimodal graph learning based on this categorization. The blueprint serves as a way to group state-of-the-art architectures that treat multimodal data by choosing appropriately four different components. This effort can pave the way for standardizing the design of sophisticated multimodal architectures for highly complex real-world problems.

Graph neural networks (GNNs) have been proven to be effective in various network-related tasks. Most existing GNNs usually exploit the low-frequency signals of node features, which gives rise to one fundamental question: is the low-frequency information all we need in the real world applications? In this paper, we first present an experimental investigation assessing the roles of low-frequency and high-frequency signals, where the results clearly show that exploring low-frequency signal only is distant from learning an effective node representation in different scenarios. How can we adaptively learn more information beyond low-frequency information in GNNs? A well-informed answer can help GNNs enhance the adaptability. We tackle this challenge and propose a novel Frequency Adaptation Graph Convolutional Networks (FAGCN) with a self-gating mechanism, which can adaptively integrate different signals in the process of message passing. For a deeper understanding, we theoretically analyze the roles of low-frequency signals and high-frequency signals on learning node representations, which further explains why FAGCN can perform well on different types of networks. Extensive experiments on six real-world networks validate that FAGCN not only alleviates the over-smoothing problem, but also has advantages over the state-of-the-arts.