We introduce Prior-Fitted Functional Flows, a generative foundation model for pharmacokinetics that enables zero-shot population synthesis and individual forecasting without manual parameter tuning. We learn functional vector fields, explicitly conditioned on the sparse, irregular data of an entire study population. This enables the generation of coherent virtual cohorts as well as forecasting of partially observed patient trajectories with calibrated uncertainty. We construct a new open-access literature corpus to inform our priors, and demonstrate state-of-the-art predictive accuracy on extensive real-world datasets.
Modeling event sequences with multiple event types with marked temporal point processes (MTPPs) provides a principled way to uncover governing rules and predict future events. Current neural network approaches to MTPP inference rely on training separate, specialized models for each target system. We pursue a radically different approach: drawing on amortized inference and in-context learning, we pretrain a deep neural network to infer, *in-context*, the conditional intensity functions of event histories from a context defined by sets of event sequences. Pretraining is performed on a large synthetic dataset of MTPPs sampled from a broad distribution over Hawkes processes. Once pretrained, our Foundation Inference Model for Point Processes (FIM-PP) can estimate MTPPs from real-world data without any additional training, or be rapidly finetuned to target systems. Experiments show that this amortized approach matches the performance of specialized models on next-event prediction across common benchmark datasets. We provide the pretrained model weights with the supplementary material.
Generative modeling of high-energy collisions at the Large Hadron Collider (LHC) offers a data-driven route to simulations, anomaly detection, among other applications. A central challenge lies in the hybrid nature of particle-cloud data: each particle carries continuous kinematic features and discrete quantum numbers such as charge and flavor. We introduce a transformer-based multimodal flow that extends flow-matching with a continuous-time Markov jump bridge to jointly model LHC jets with both modalities. Trained on CMS Open Data, our model can generate high fidelity jets with realistic kinematics, jet substructure and flavor composition.
Stochastic differential equations (SDEs) describe dynamical systems where deterministic flows, governed by a drift function, are superimposed with random fluctuations, dictated by a diffusion function. The accurate estimation (*or discovery*) of these functions from data is a central problem in machine learning, with wide application across the natural and social sciences. Yet current solutions either rely heavily on prior knowledge of the dynamics or involve intricate training procedures. We introduce FIM-SDE (Foundation Inference Model for SDEs), a pretrained recognition model that delivers accurate *in-context* (or zero-shot) estimation of the drift and diffusion functions of *low-dimensional* SDEs, from noisy time series data, and allows rapid *finetuning* to target datasets. Leveraging concepts from amortized inference and neural operators, we (pre)train FIM-SDE in a supervised fashion to map a large set of noisy, discretely observed SDE paths onto the space of drift and diffusion functions. We demonstrate that FIM-SDE achieves robust *in-context* function estimation across a wide range of synthetic and real-world processes --- from canonical SDE systems (*e.g*., double-well dynamics or weakly perturbed Lorenz attractors) to stock price recordings and oil-price and wind-speed fluctuations --- while matching the performance of symbolic, Gaussian process and Neural SDE baselines trained on the target datasets. When *finetuned* to the target processes, we show that FIM-SDE consistently outperforms all these baselines.
Large pre-trained language models (LPLM) have shown spectacular success when fine-tuned on downstream supervised tasks. It is known, however, that their performance can drastically drop when there is a distribution shift between the data used during training and that used at inference time. In this paper we focus on data distributions that naturally change over time and introduce four Reddit datasets, namely the Wallstreetbets, AskScience, The Donald, and Politics sub-reddits. First, we empirically demonstrate that LPLM can display average performance drops of about 79
We propose the multivariate locally stationary wavelet (mvLSW) process to analyze surface turbulent fluxes in nonstationary atmospheric conditions. Using theoretical spectral characteristics, we generated synthetic data representing stationary and nonstationary turbulence time series. This data enables us to explore the impact of mesoscale atmospheric flows on the stationary microscale turbulence field and detect the spectral gap in the time-varying cospectra. Applying this approach to experimental data collected in Fairbanks, Alaska and Bogota, Colombia, we demonstrated the ability to detect cospectral gaps and compute bandwidth-limited turbulent fluxes arising from stationary components of the atmospheric flow. These findings underscore the importance of considering scale-dependent atmospheric forcing when comparing model and experimental data.
Markov jump processes are continuous-time stochastic processes which describe dynamical systems evolving in discrete state spaces. These processes find wide application in the natural sciences and machine learning, but their inference is known to be far from trivial. In this work we introduce a methodology for *zero-shot inference* of Markov jump processes (MJPs), on bounded state spaces, from noisy and sparse observations, which consists of two components. First, a broad probability distribution over families of MJPs, as well as over possible observation times and noise mechanisms, with which we simulate a synthetic dataset of hidden MJPs and their noisy observations. Second, a neural recognition model that processes subsets of the simulated observations, and that is trained to output the initial condition and rate matrix of the target MJP in a supervised way. We empirically demonstrate that *one and the same* (pretrained) recognition model can infer, *in a zero-shot fashion*, hidden MJPs evolving in state spaces of different dimensionalities. Specifically, we infer MJPs which describe (i) discrete flashing ratchet systems, which are a type of Brownian motors, and the conformational dynamics in (ii) molecular simulations, (iii) experimental ion channel data and (iv) simple protein folding models. What is more, we show that our model performs on par with state-of-the-art models which are trained on the target datasets. Our pretrained model is available online.
A Schrödinger bridge is a stochastic process connecting two given probability distributions over time. It has been recently applied as an approach for generative data modelling. The computational training of such bridges requires the repeated estimation of the drift function for a time-reversed stochastic process using samples generated by the corresponding forward process. We introduce a modified score- function-based method for computing such reverse drifts, which can be efficiently implemented by a feed-forward neural network. We applied our approach to artificial datasets with increasing complexity. Finally, we evaluated its performance on genetic data, where Schrödinger bridges can be used to model the time evolution of single-cell RNA measurements.
Topic models and all their variants analyse text by learning meaningful representations through word co-occurrences. As pointed out by previous work, such models implicitly assume that the probability of a topic to be active and its proportion within each document are positively correlated. This correlation can be strongly detrimental in the case of documents created over time, simply because recent documents are likely better described by new and hence rare topics. In this work we leverage recent advances in neural variational inference and present an alternative neural approach to the dynamic Focused Topic Model. Indeed, we develop a neural model for topic evolution which exploits sequences of Bernoulli random variables in order to track the appearances of topics, thereby decoupling their activities from their proportions. We evaluate our model on three different datasets (the UN general debates, the collection of NEURIPS papers, and the ACL Anthology dataset) and show that it (i) outperforms state-of-the-art topic models in generalization tasks and (ii) performs comparably to them on prediction tasks, while employing roughly the same number of parameters, and converging about two times faster.
Large, pretrained language models infer powerful representations that encode rich semantic and syntactic content, albeit implicitly. In this work we introduce a novel neural language model that enforces, via inductive biases, explicit relational structures which allow for compositionality onto the output representations of pretrained language models. Specifically, the model encodes sentences into sequences of symbols (composed representations), which correspond to the nodes visited by biased random walkers on a global latent graph, and infers the posterior distribution of the latter. We first demonstrate that the model is able to uncover ground-truth graphs from artificially generated datasets of random token sequences. Next, we leverage pretrained BERT and GPT-2 language models as encoder and decoder, respectively, to infer networks of symbols (schemata) from natural language datasets. Our experiments show that (i) the inferred symbols can be interpreted as encoding different aspects of language, as e.g. topics or sentiments, and that (ii) GPT-like models can effectively be conditioned on symbolic representations. Finally, we explore training autoregressive, random walk “reasoning" models on schema networks inferred from commonsense knowledge databases, and using the sampled paths to enhance the performance of pretrained language models on commonsense If-Then reasoning tasks.
A novel first-order autoregressive moving average model for analyzing discrete-time series observed at irregularly spaced times is introduced. Under Gaussianity, it is established that the model is strictly stationary and ergodic. In the general case, it is shown that the model is weakly stationary. The lowest dimension of the state-space representation is given along with the one-step linear predictors and their mean squared errors. The maximum likelihood estimation procedure is discussed, and their finite-sample behavior is assessed through Monte Carlo experiments. These experiments show that bias, root mean squared error, and coefficient of variation are smaller when the length of the series increases. Further, the method provides good estimations for the standard errors, even with relatively small sample sizes. Also, the irregularly spaced times seem to increase the estimation variability. The application of the proposed model is made through two real-life examples. The first is concerned with medical data, whereas the second describes an astronomical data set analysis.
In this paper, we propose to leverage the Bayesian uncertainty information encoded in parameter distributions to inform the learning procedure for Bayesian models. We derive a first principle stochastic differential equation for the training dynamics of the mean and uncertainty parameter in the variational distributions. On the basis of the derived Bayesian stochastic differential equation, we apply the methodology of stochastic optimal control on the variational parameters to obtain individually controlled learning rates. We show that the resulting optimizer, StochControlSGD, is significantly more robust to large learning rates and can adaptively and individually control the learning rates of the variational parameters. The evolution of the control suggests separate and distinct dynamical behaviours in the training regimes for the mean and uncertainty parameters in Bayesian neural networks.
Just as user preferences change with time, item reviews also reflect those same preference changes. In a nutshell, if one is to sequentially incorporate review content knowledge into recommender systems, one is naturally led to dynamical models of text. In the present work we leverage the known power of reviews to enhance rating predictions in a way that (i) respects the causality of review generation and (ii) includes, in a bidirectional fashion, the ability of ratings to inform language review models and vice-versa, language representations that help predict ratings end-to-end. Moreover, our representations are time-interval aware and thus yield a continuous-time representation of the dynamics. We provide experiments on real-world datasets and show that our methodology is able to outperform several stateof-the-art models. Source code for all models can be found at [1].
Traditionally, Hawkes processes are used to model time-continuous point processes with history dependence. Here, we propose an extended model where the self-effects are of both excitatory and inhibitory types and follow a Gaussian Process. Whereas previous work either relies on a less flexible parameterization of the model, or requires a large amount of data, our formulation allows for both a flexible model and learning when data are scarce. We continue the line of work of Bayesian inference for Hawkes processes, and derive an inference algorithm by performing inference on an aggregated sum of Gaussian Processes. Approximate Bayesian inference is achieved via data augmentation, and we describe a mean-field variational inference approach to learn the model parameters. To demonstrate the flexibility of the model we apply our methodology on data from different domains and compare it to previously reported results.
Large pre-trained language models (LPLM) have shown spectacular success when fine-tuned on downstream supervised tasks. Yet, it is known that their performance can drastically drop when there is a distribution shift between the data used during training and that used at inference time. In this paper we focus on data distributions that naturally change over time and introduce four new REDDIT datasets, namely the WALLSTREETBETS, ASKSCIENCE, THE DONALD, and POLITICS sub-reddits. First, we empirically demonstrate that LPLM can display average performance drops of about 88% (in the best case!) when predicting the popularity of future posts from sub-reddits whose topic distribution changes with time. We then introduce a simple methodology that leverages neural variational dynamic topic models and attention mechanisms to infer temporal language model representations for regression tasks. Our models display performance drops of only about 40% in the worst cases (2% in the best ones) when predicting the popularity of future posts, while using only about 7% of the total number of parameters of LPLM and providing interpretable representations that offer insight into real-world events, like the GameStop short squeeze of 2021
We propose an extended Hawkes process model where the self–effects are of both excitatory and inhibitory type and follow a Gaussian Process. Whereas previous work either relies on a less flexible parameterization of the model, or requires a large amount of data, our formulation allows for both a flexible model and learning when data are scarce. Efficient approximate Bayesian inference is achieved via data augmentation, and we describe a mean–field variational inference approach to learn the model parameters. To demonstrate the flexibility of the model we apply our methodology on data from two different domains and compare it to previously reported results.
In several disciplines it is common to find time series measured at irregular observational times. In particular, in astronomy there are a large number of surveys that gather information over irregular time gaps and in more than one passband. Some examples are Pan-STARRS, ZTF and also the LSST. However, current commonly used time series models that estimate the time dependency in astronomical light curves consider the information of each band separately (e.g, CIAR, IAR and CARMA models) disregarding the dependency that might exist between different passbands. In this paper we propose a novel bivariate model for irregularly sampled time series, called the bivariate irregular autoregressive (BIAR) model. The BIAR model assumes an autoregressive structure on each time series, it is stationary, and it allows to estimate the autocorrelation, the cross-correlation and the contemporary correlation between two unequally spaced time series. We implemented the BIAR model on light curves, in the g and r bands, obtained from the ZTF alerts processed by the ALeRCE broker. We show that if the light curves of the two bands are highly correlated, the model has more accurate forecast and prediction using the bivariate model than a similar method that uses only univariate information. Further, the estimated parameters of the BIAR are useful to characterize Long Period Variable Stars and to distinguish between classes of stochastic objects, providing promising features that can be used for classification purposes.
Modern society is heavily dependent on large scale client-server systems with applications ranging from Internet and Communication Services to sophisticated logistics and deployment of goods. To maintain and improve such a system, a careful study of client and server dynamics is needed – e.g. response/service times, aver-age number of clients at given times, etc. To this end, one traditionally relies, within the queuing theory formalism,on parametric analysis and explicit distribution forms.However, parametric forms limit the model’s expressiveness and could struggle on extensively large datasets. We propose a novel data-driven approach towards queuing systems: the Deep Generative Service Times. Our methodology delivers a flexible and scalable model for service and response times. We leverage the representation capabilities of Recurrent Marked Point Processes for the temporal dynamics of clients, as well as Wasserstein Generative Adversarial Network techniques, to learn deep generative models which are able to represent complex conditional service time distributions. We provide extensive experimental analysis on both empirical and synthetic datasets, showing the effectiveness of the proposed models
Traditionally, Hawkes processes are used to model time--continuous point processes with history dependence. Here we propose an extended model where the self--effects are of both excitatory and inhibitory type and follow a Gaussian Process. Whereas previous work either relies on a less flexible parameterization of the model, or requires a large amount of data, our formulation allows for both a flexible model and learning when data are scarce. We continue the line of work of Bayesian inference for Hawkes processes, and our approach dispenses with the necessity of estimating a branching structure for the posterior, as we perform inference on an aggregated sum of Gaussian Processes. Efficient approximate Bayesian inference is achieved via data augmentation, and we describe a mean--field variational inference approach to learn the model parameters. To demonstrate the flexibility of the model we apply our methodology on data from three different domains and compare it to previously reported results.
A novel first-order moving-average model for analyzing time series observed at irregularly spaced intervals is introduced. Two definitions are presented, which are equivalent under Gaussianity. The first one relies on normally distributed data and the specification of second-order moments. The second definition provided is more flexible in the sense that it allows for considering other distributional assumptions. The statistical properties are investigated along with the one-step linear predictors and their mean squared errors. It is established that the process is strictly stationary under normality and weakly stationary in the general case. Maximum likelihood and bootstrap estimation procedures are discussed and the finite-sample behavior of these estimates is assessed through Monte Carlo experiments. In these simulations, both methods perform well in terms of estimation bias and standard errors, even with relatively small sample sizes. Moreover, we show that for non-Gaussian data, for t-Student and Generalized errors distributions, the parameters of the model can be estimated precisely by maximum likelihood. The proposed IMA model is compared to the continuous autoregressive moving average (CARMA) models, exhibiting good performance. Finally, the practical application and usefulness of the proposed model are illustrated with two real-life data examples.