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 natural and social sciences alike. Yet current solutions are brittle, and typically rely on symbolic regression or Bayesian non-parametrics. In this work, we introduce FIM-SDE (Foundation Inference Model for SDEs), a transformer-based recognition model capable of performing accurate zero-shot estimation of the drift and diffusion functions of SDEs, from noisy and sparse observations on empirical processes of different dimensionalities. Leveraging concepts from amortized inference and neural operators, we train FIM-SDE in a supervised fashion, to map a large set of noisy and discretely observed SDE paths to their corresponding drift and diffusion functions. We demonstrate that one and the same (pretrained) FIM-SDE achieves robust zero-shot function estimation (i.e. without any parameter fine-tuning) across a wide range of synthetic and real-world processes, from canonical SDE systems (e.g. double-well dynamics or weakly perturbed Hopf bifurcations) to human motion recordings and oil price and wind speed fluctuations.

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 zeroshot 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 observation process. Second, a neural network 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) 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 finetuned to the target datasets. Our pretrained model is available online.

Ordinary differential equations (ODEs) underlie dynamical systems which serve as models for a vast number of natural and social phenomena. Yet inferring the ODE that best describes a set of noisy observations on one such phenomenon can be remarkably challenging, and the models available to achieve it tend to be highly specialized and complex too. In this work we propose a novel supervised learning framework for zero-shot inference of ODEs from noisy data. We first generate large datasets of one-dimensional ODEs, by sampling distributions over the space of initial conditions, and the space of vector fields defining them. We then learn neural maps between noisy observations on the solutions of these equations, and their corresponding initial condition and vector fields. The resulting models, which we call foundational inference models (FIM), can be (i) copied and matched along the time dimension to increase their resolution; and (ii) copied and composed to build inference models of any dimensionality, without the need of any finetuning. We use FIM to model both ground-truth dynamical systems of different dimensionalities and empirical time series data in a zero-shot fashion, and outperform state-of-the-art models which are finetuned to these systems. Our (pretrained) FIMs are available online

The availability of representative datasets is an essential prerequisite for many successful artificial intelligence and machine learning models. However, in real life applications these models often encounter scenarios that are inadequately represented in the data used for training. There are various reasons for the absence of sufficient data, ranging from time and cost constraints to ethical considerations. As a consequence, the reliable usage of these models, especially in safety-critical applications, is still a tremendous challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches. Knowledge augmented machine learning approaches offer the possibility of compensating for deficiencies, errors, or ambiguities in the data, thus increasing the generalization capability of the applied models. Even more, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-driven models with existing knowledge. The identified approaches are structured according to the categories knowledge integration, extraction and conformity. In particular, we address the application of the presented methods in the field of autonomous driving.

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.

Topic models and all their variants analyse text by learning meaningful representations through word co-occurrences. As pointed out by Williamson et al. (2010), 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. Source code to reproduce our experiments is available online.

The population of the earth is constantly growing and therefore also the demand for food. In consequence, breeding crop plants which most efficiently make use of the available cropland is one of the greatest challenges nowadays. In particular, plants which are resilient and resistant to environmental stresses are desirable. The development of such plants relies on the investigation of the interaction between the plant's genes and the environmental stresses. In order to be able to investigate the interaction a quantitative representation of the environmental stresses is needed. Here, we consider this representation combining state-of-the-art data-driven methods with expert-driven modeling from agriculture. Briefly put, it has been reported that environmental stress such as inappropriate or extreme temperature conditions, lack of sufficient moisture, etc., can significantly impede the life cycle development of corn, thus leading to yield reductions (cf.

Password guessing approaches via deep learning have recently been investigated with significant breakthroughs in their ability to generate novel, realistic password candidates. In the present work we study a broad collection of deep learning and probabilistic based models in the light of password guessing: attention-based deep neural networks, autoencoding mechanisms and generative adversarial networks. We provide novel generative deep-learning models in terms of variational autoencoders exhibiting state-of-art sampling performance, yielding additional latent-space features such as interpolations and targeted sampling. Lastly, we perform a thorough empirical analysis in a unified controlled framework over well-known datasets (RockYou, LinkedIn, Youku, Zomato, Pwnd). Our results not only identify the most promising schemes driven by deep neural networks, but also illustrate the strengths of each approach in terms of generation variability and sample uniqueness.

Deep neural network models represent the state-of-the-art methodologies for natural language processing. Here we build on top of these methodologies to incorporate temporal information and model how to review data changes with time. Specifically, we use the dynamic representations of recurrent point process models, which encode the history of how business or service reviews are received in time, to generate instantaneous language models with improved prediction capabilities. Simultaneously, our methodologies enhance the predictive power of our point process models by incorporating summarized review content representations. We provide recurrent network and temporal convolution solutions for modeling the review content. We deploy our methodologies in the context of recommender systems, effectively characterizing the change in preference and taste of users as time evolves. Source code is available at [1].

Quantum computing for machine learning attracts increasing attention and recent technological developments suggest that especially adiabatic quantum computing may soon be of practical interest. In this paper, we therefore consider this paradigm and discuss how to adopt it to the problem of binary clustering. Numerical simulations demonstrate the feasibility of our approach and illustrate how systems of qubits adiabatically evolve towards a solution.