Multivariate distributions often carry latent structures that are difficult to identify and estimate, and which better reflect the data generating mechanism than extrinsic structures exhibited simply by the raw data. In this paper, we propose a model-free approach for estimating such latent structures whenever they are present, without assuming they exist a priori. Given an arbitrary density $p_0$, we construct a multiscale representation of the density and propose data-driven methods for selecting representative models that capture meaningful discrete structure. Our approach uses a nonparametric maximum likelihood estimator to estimate the latent structure at different scales and we further characterize their asymptotic limits. By carrying out such a multiscale analysis, we obtain coarseto-fine structures inherent in the original distribution, which are integrated via a model selection procedure to yield an interpretable discrete representation of it. As an application, we design a clustering algorithm based on the proposed procedure and demonstrate its effectiveness in capturing a wide range of latent structures.

Patients who are undergoing physical rehabilitation, benefit from feedback that follows from reliable assessment of their cumulative performance attained at a given time. In this paper, we provide a method for the learning of the recovery trajectory of an individual patient, as they undertake exercises as part of their physical therapy towards recovery of their loss of movement ability, following a critical illness. The difference between the Movement Recovery Scores (MRSs) attained by a patient, when undertaking a given exercise routine on successive instances, is given by a statistical distance/divergence between the (posterior) probabilities of random graphs that are Bayesianly learnt using time series data on locations of 20 of the patient's joints, recorded on an e-platform as the patient exercises. This allows for the computation of the MRS on every occasion the patient undertakes this exercise, using which, the recovery trajectory is drawn. We learn each graph as a Random Geometric Graph drawn in a probabilistic metric space, and identify the closed-form marginal posterior of any edge of the graph, given the correlation structure of the multivariate time series data on joint locations. On the basis of our recovery learning, we offer recommendations on the optimal exercise routines for patients with given level of mobility impairment.

Large Language Models (LLMs) have demonstrated remarkable abilities in reasoning and planning by breaking down complex problems into sequential steps. This paper revisits LLM reasoning from an optimal control perspective, proposing a novel method, Predictive-Decoding, that leverages Model Predictive Control to enhance planning accuracy. By reweighting LLM distributions based on foresight trajectories, Predictive-Decoding aims to mitigate early errors and promote non-myopic planning. Our experiments show significant improvements across a wide range of tasks in math, coding, and agent-based scenarios. Furthermore, Predictive-Decoding demonstrates computational efficiency, outperforming search baselines while utilizing inference compute more effectively. This study provides insights into optimizing LLM planning capabilities. Code is available at this repo. Large Language Models (LLMs) are extensively pretrained on large corpus to predict the next tokens.

Flow matching (FM) is a family of training algorithms for fitting continuous normalizing flows (CNFs). A standard approach to FM, called conditional flow matching (CFM), exploits the fact that the marginal vector field of a CNF can be learned by fitting least-square regression to the so-called conditional vector field specified given one or both ends of the flow path. We show that viewing CFM training from a Bayesian decision theoretic perspective on parameter estimation opens the door to generalizations of CFM algorithms. We propose one such extension by introducing a CFM algorithm based on defining conditional probability paths given what we refer to as ``streams'', instances of latent stochastic paths that connect pairs of noise and observed data. Further, we advocate the modeling of these latent streams using Gaussian processes (GPs). The unique distributional properties of GPs, and in particular the fact that the velocity of a GP is still a GP, allows drawing samples from the resulting stream-augmented conditional probability path without simulating the actual streams, and hence the ``simulation-free" nature of CFM training is preserved. We show that this generalization of the CFM can substantially reduce the variance in the estimated marginal vector field at a moderate computational cost, thereby improving the quality of the generated samples under common metrics. Additionally, we show that adopting the GP on the streams allows for flexibly linking multiple related training data points (e.g., time series) and incorporating additional prior information. We empirically validate our claim through both simulations and applications to two hand-written image datasets.

Collective perception is a fundamental problem in swarm robotics, often cast as best-of-$n$ decision-making. Past studies involve robots with perfect sensing or with small numbers of faulty robots. We previously addressed these limitations by proposing an algorithm, here referred to as Minimalistic Collective Perception (MCP) [arxiv:2209.12858], to reach correct decisions despite the entire swarm having severely damaged sensors. However, this algorithm assumes that sensor accuracy is known, which may be infeasible in reality. In this paper, we eliminate this assumption to (i) investigate the decline of estimation performance and (ii) introduce an Adaptive Sensor Degradation Filter (ASDF) to mitigate the decline. We combine the MCP algorithm and a hypothesis test to enable adaptive self-calibration of robots' assumed sensor accuracy. We validate our approach across several parameters of interest. Our findings show that estimation performance by a swarm with correctly known accuracy is superior to that by a swarm unaware of its accuracy. However, the ASDF drastically mitigates the damage, even reaching the performance levels of robots aware a priori of their correct accuracy.

In a groundbreaking work, Schmidt-Hieber (2020) proved the minimax optimality of deep neural networks with ReLu activation for least-square regression estimation over a large class of functions defined by composition. In this paper, we extend these results in many directions. First, we remove the i.i.d. assumption on the observations, to allow some time dependence. The observations are assumed to be a Markov chain with a non-null pseudo-spectral gap. Then, we study a more general class of machine learning problems, which includes least-square and logistic regression as special cases. Leveraging on PAC-Bayes oracle inequalities and a version of Bernstein inequality due to Paulin (2015), we derive upper bounds on the estimation risk for a generalized Bayesian estimator. In the case of least-square regression, this bound matches (up to a logarithmic factor) the lower bound of Schmidt-Hieber (2020). We establish a similar lower bound for classification with the logistic loss, and prove that the proposed DNN estimator is optimal in the minimax sense.

Artificial General Intelligence (AGI) Agents and Robots must be able to cope with everchanging environments and tasks. They must be able to actively construct new internal causal models of their interactions with the environment when new structural changes take place in the environment. Thus, we claim that active causal structure learning with latent variables (ACSLWL) is a necessary component to build AGI agents and robots. This paper describes how a complex planning and expectation-based detour behavior can be learned by ACSLWL when, unexpectedly, and for the first time, the simulated robot encounters a sort of "transparent" barrier in its pathway towards its target. ACSWL consists of acting in the environment, discovering new causal relations, constructing new causal models, exploiting the causal models to maximize its expected utility, detecting possible latent variables when unexpected observations occur, and constructing new structures - internal causal models and optimal estimation of the associated parameters, to be able to cope efficiently with the new encountered situations. That is, the agent must be able to construct new causal internal models that transform a previously unexpected and inefficient (sub-optimal) situation, into a predictable situation with an optimal operating plan.

Inferring atmospheric properties of exoplanets from observed spectra is key to understanding their formation, evolution, and habitability. Since traditional Bayesian approaches to atmospheric retrieval (e.g., nested sampling) are computationally expensive, a growing number of machine learning (ML) methods such as neural posterior estimation (NPE) have been proposed. We seek to make ML-based atmospheric retrieval (1) more reliable and accurate with verified results, and (2) more flexible with respect to the underlying neural networks and the choice of the assumed noise models. First, we adopt flow matching posterior estimation (FMPE) as a new ML approach to atmospheric retrieval. FMPE maintains many advantages of NPE, but provides greater architectural flexibility and scalability. Second, we use importance sampling (IS) to verify and correct ML results, and to compute an estimate of the Bayesian evidence. Third, we condition our ML models on the assumed noise level of a spectrum (i.e., error bars), thus making them adaptable to different noise models. Both our noise level-conditional FMPE and NPE models perform on par with nested sampling across a range of noise levels when tested on simulated data. FMPE trains about 3 times faster than NPE and yields higher IS efficiencies. IS successfully corrects inaccurate ML results, identifies model failures via low efficiencies, and provides accurate estimates of the Bayesian evidence. FMPE is a powerful alternative to NPE for fast, amortized, and parallelizable atmospheric retrieval. IS can verify results, thus helping to build confidence in ML-based approaches, while also facilitating model comparison via the evidence ratio. Noise level conditioning allows design studies for future instruments to be scaled up, for example, in terms of the range of signal-to-noise ratios.

This paper investigates a novel lossy compression framework operating under logarithmic loss, designed to handle situations where the reconstruction distribution diverges from the source distribution. This framework is especially relevant for applications that require joint compression and retrieval, and in scenarios involving distributional shifts due to processing. We show that the proposed formulation extends the classical minimum entropy coupling framework by integrating a bottleneck, allowing for a controlled degree of stochasticity in the coupling. We explore the decomposition of the Minimum Entropy Coupling with Bottleneck (MEC-B) into two distinct optimization problems: Entropy-Bounded Information Maximization (EBIM) for the encoder, and Minimum Entropy Coupling (MEC) for the decoder. Through extensive analysis, we provide a greedy algorithm for EBIM with guaranteed performance, and characterize the optimal solution near functional mappings, yielding significant theoretical insights into the structural complexity of this problem. Furthermore, we illustrate the practical application of MEC-B through experiments in Markov Coding Games (MCGs) under rate limits. These games simulate a communication scenario within a Markov Decision Process, where an agent must transmit a compressed message from a sender to a receiver through its actions. Our experiments highlight the trade-offs between MDP rewards and receiver accuracy across various compression rates, showcasing the efficacy of our method compared to conventional compression baseline.

The discovery of causal relationships between random variables is an important yet challenging problem that has applications across many scientific domains. Differentiable causal discovery (DCD) methods are effective in uncovering causal relationships from observational data; however, these approaches often suffer from limited interpretability and face challenges in incorporating domain-specific prior knowledge. In contrast, Large Language Models (LLMs)-based causal discovery approaches have recently been shown capable of providing useful priors for causal discovery but struggle with formal causal reasoning. In this paper, we propose LLM-DCD, which uses an LLM to initialize the optimization of the maximum likelihood objective function of DCD approaches, thereby incorporating strong priors into the discovery method. To achieve this initialization, we design our objective function to depend on an explicitly defined adjacency matrix of the causal graph as its only variational parameter. Directly optimizing the explicitly defined adjacency matrix provides a more interpretable approach to causal discovery. Additionally, we demonstrate higher accuracy on key benchmarking datasets of our approach compared to state-of-the-art alternatives, and provide empirical evidence that the quality of the initialization directly impacts the quality of the final output of our DCD approach. LLM-DCD opens up new opportunities for traditional causal discovery methods like DCD to benefit from future improvements in the causal reasoning capabilities of LLMs.