Tensor factorizations (TF) are powerful tools for the efficient representation and analysis of multidimensional data. However, classic TF methods based on maximum likelihood estimation underperform when applied to zero-inflated count data, such as single-cell RNA sequencing (scRNA-seq) data. Additionally, the stochasticity inherent in TFs results in factors that vary across repeated runs, making interpretation and reproducibility of the results challenging. In this paper, we introduce Zero Inflated Poisson Tensor Factorization (ZIPTF), a novel approach for the factorization of high-dimensional count data with excess zeros. To address the challenge of stochasticity, we introduce Consensus Zero Inflated Poisson Tensor Factorization (C-ZIPTF), which combines ZIPTF with a consensus-based meta-analysis. We evaluate our proposed ZIPTF and C-ZIPTF on synthetic zero-inflated count data and synthetic and real scRNA-seq data. ZIPTF consistently outperforms baseline matrix and tensor factorization methods in terms of reconstruction accuracy for zero-inflated data. When the probability of excess zeros is high, ZIPTF achieves up to $2.4\times$ better accuracy. Additionally, C-ZIPTF significantly improves the consistency and accuracy of the factorization. When tested on both synthetic and real scRNA-seq data, ZIPTF and C-ZIPTF consistently recover known and biologically meaningful gene expression programs.

Active Inference is a recent framework for modeling planning under uncertainty. Empirical and theoretical work have now begun to evaluate the strengths and weaknesses of this approach and how it might be improved. A recent extension - the sophisticated inference (SI) algorithm - improves performance on multi-step planning problems through recursive decision tree search. However, little work to date has been done to compare SI to other established planning algorithms. SI was also developed with a focus on inference as opposed to learning. The present paper has two aims. First, we compare performance of SI to Bayesian reinforcement learning (RL) schemes designed to solve similar problems. Second, we present an extension of SI - sophisticated learning (SL) - that more fully incorporates active learning during planning. SL maintains beliefs about how model parameters would change under the future observations expected under each policy. This allows a form of counterfactual retrospective inference in which the agent considers what could be learned from current or past observations given different future observations. To accomplish these aims, we make use of a novel, biologically inspired environment designed to highlight the problem structure for which SL offers a unique solution. Here, an agent must continually search for available (but changing) resources in the presence of competing affordances for information gain. Our simulations show that SL outperforms all other algorithms in this context - most notably, Bayes-adaptive RL and upper confidence bound algorithms, which aim to solve multi-step planning problems using similar principles (i.e., directed exploration and counterfactual reasoning). These results provide added support for the utility of Active Inference in solving this class of biologically-relevant problems and offer added tools for testing hypotheses about human cognition.

X-ray diffraction (XRD) is an essential technique to determine a material's crystal structure in high-throughput experimentation, and has recently been incorporated in artificially intelligent agents in autonomous scientific discovery processes. However, rapid, automated and reliable analysis method of XRD data matching the incoming data rate remains a major challenge. To address these issues, we present CrystalShift, an efficient algorithm for probabilistic XRD phase labeling that employs symmetry-constrained pseudo-refinement optimization, best-first tree search, and Bayesian model comparison to estimate probabilities for phase combinations without requiring phase space information or training. We demonstrate that CrystalShift provides robust probability estimates, outperforming existing methods on synthetic and experimental datasets, and can be readily integrated into high-throughput experimental workflows. In addition to efficient phase-mapping, CrystalShift offers quantitative insights into materials' structural parameters, which facilitate both expert evaluation and AI-based modeling of the phase space, ultimately accelerating materials identification and discovery.

A wide variety of NCM estimation methods have been proposed within the control community [1]. These methods Identifying the noise associated with a process, i.e., estimating can be classified into two categories: i) feedback free the Noise Covariance Matrix (NCM) is crucial for methods where the estimation is done by processing the state estimation and control of a dynamic system [1]. An entire data sequence offline and ii) feedback methods where incorrect NCM results in suboptimal gains (e.g., Kalman estimation is done online and. The feedback free methods are gain), significantly decreasing the quality of state estimation of two types: i) the correlation methods that are based on the and tracking. Hence, accurate NCM estimation has a wide analysis of the measurement error sequence, such as Indirect scope of applications that include robotics, signal processing, Correlation (ICM) [9], Input-Output Correlation (IOCM) fault detection, optimal controller design, system identification, [10], Weighted Correlation (WCM) [11], Measurement Average etc. However, most of the NCM estimation algorithms Correlation (MACM) [12], Direct Correlation (DCM) assume a white noise condition, which may not be true in [13] and Measurement Difference Correlation (MDCM) [14], practice. In many real-world applications the noise is colored and ii) the Maximum-Likelihood Methods (MLM) [15] that (e.g., there are temporal autocorrelations). This makes NCM maximises the likelihood function over the data.

Multidimensional scaling (MDS) is a widely used approach to representing high-dimensional, dependent data. MDS works by assigning each observation a location on a low-dimensional geometric manifold, with distance on the manifold representing similarity. We propose a Bayesian approach to multidimensional scaling when the low-dimensional manifold is hyperbolic. Using hyperbolic space facilitates representing tree-like structures common in many settings (e.g. text or genetic data with hierarchical structure). A Bayesian approach provides regularization that minimizes the impact of measurement error in the observed data and assesses uncertainty. We also propose a case-control likelihood approximation that allows for efficient sampling from the posterior distribution in larger data settings, reducing computational complexity from approximately $O(n^2)$ to $O(n)$. We evaluate the proposed method against state-of-the-art alternatives using simulations, canonical reference datasets, Indian village network data, and human gene expression data.

In this work, we present GraspFlow, a refinement approach for generating context-specific grasps. We formulate the problem of grasp synthesis as a sampling problem: we seek to sample from a context-conditioned probability distribution of successful grasps. However, this target distribution is unknown. As a solution, we devise a discriminator gradient-flow method to evolve grasps obtained from a simpler distribution in a manner that mimics sampling from the desired target distribution. Unlike existing approaches, GraspFlow is modular, allowing grasps that satisfy multiple criteria to be obtained simply by incorporating the relevant discriminators. It is also simple to implement, requiring minimal code given existing auto-differentiation libraries and suitable discriminators. Experiments show that GraspFlow generates stable and executable grasps on a real-world Panda robot for a diverse range of objects. In particular, in 60 trials on 20 different household objects, the first attempted grasp was successful 94% of the time, and 100% grasp success was achieved by the second grasp. Moreover, incorporating a functional discriminator for robot-human handover improved the functional aspect of the grasp by up to 33%.

We propose OCDaf, a novel order-based method for learning causal graphs from observational data. We establish the identifiability of causal graphs within multivariate heteroscedastic noise models, a generalization of additive noise models that allow for non-constant noise variances. Drawing upon the structural similarities between these models and affine autoregressive normalizing flows, we introduce a continuous search algorithm to find causal structures. Our experiments demonstrate state-of-the-art performance across the Sachs and SynTReN benchmarks in Structural Hamming Distance (SHD) and Structural Intervention Distance (SID). Furthermore, we validate our identifiability theory across various parametric and nonparametric synthetic datasets and showcase superior performance compared to existing baselines.

Standard online change point detection (CPD) methods tend to have large false discovery rates as their detections are sensitive to outliers. To overcome this drawback, we propose Greedy Online Change Point Detection (GOCPD), a computationally appealing method which finds change points by maximizing the probability of the data coming from the (temporal) concatenation of two independent models. We show that, for time series with a single change point, this objective is unimodal and thus CPD can be accelerated via ternary search with logarithmic complexity. We demonstrate the effectiveness of GOCPD on synthetic data and validate our findings on real-world univariate and multivariate settings.

A natural way of estimating heteroscedastic label noise in regression is to model the observed (potentially noisy) target as a sample from a normal distribution, whose parameters can be learned by minimizing the negative log-likelihood. This formulation has desirable loss attenuation properties, as it reduces the contribution of high-error examples. Intuitively, this behavior can improve robustness against label noise by reducing overfitting. We propose an extension of this simple and probabilistic approach to classification that has the same desirable loss attenuation properties. Furthermore, we discuss and address some practical challenges of this extension. We evaluate the effectiveness of the method by measuring its robustness against label noise in classification. We perform enlightening experiments exploring the inner workings of the method, including sensitivity to hyperparameters, ablation studies, and other insightful analyses.

We present the OMG-CMDP! algorithm for regret minimization in adversarial Contextual MDPs. The algorithm operates under the minimal assumptions of realizable function class and access to online least squares and log loss regression oracles. Our algorithm is efficient (assuming efficient online regression oracles), simple and robust to approximation errors. It enjoys an $\widetilde{O}(H^{2.5} \sqrt{ T|S||A| ( \mathcal{R}(\mathcal{O}) + H \log(\delta^{-1}) )})$ regret guarantee, with $T$ being the number of episodes, $S$ the state space, $A$ the action space, $H$ the horizon and $\mathcal{R}(\mathcal{O}) = \mathcal{R}(\mathcal{O}_{\mathrm{sq}}^\mathcal{F}) + \mathcal{R}(\mathcal{O}_{\mathrm{log}}^\mathcal{P})$ is the sum of the regression oracles' regret, used to approximate the context-dependent rewards and dynamics, respectively. To the best of our knowledge, our algorithm is the first efficient rate optimal regret minimization algorithm for adversarial CMDPs that operates under the minimal standard assumption of online function approximation.