Modern graph representation learning works Some recent works propose to model input-output data relations mostly under the assumption of dealing with regularly as a continuous dynamic described by a learnable ordinary sampled temporal graph snapshots, which is differential equation (ODE), instead of discrete sequences far from realistic, e.g., social networks and physical of layers commonly used in deep learning. Neural systems are characterized by continuous dynamics ODE-based approaches have been exploited to model and sporadic observations. To address this non-temporal data, including message-passing functions for limitation, we introduce the Temporal Graph Ordinary learning node-level embeddings [Poli et al., 2019; Chamberlain Differential Equation (TG-ODE) framework, et al., 2021; Eliasof et al., 2021; Rusch et al., 2022; which learns both the temporal and spatial dynamics Gravina et al., 2023]. Notably, relying on ODEs has shown from graph streams where the intervals between promising for modeling complex temporal patterns from irregularly observations are not regularly spaced. We empirically and sparsely sampled data [Chen et al., 2018; validate the proposed approach on several Rubanova et al., 2019; Kidger et al., 2020].

We develop MultiSTOP, a Reinforcement Learning framework for solving functional equations in physics. This new methodology produces actual numerical solutions instead of bounds on them. We extend the original BootSTOP algorithm by adding multiple constraints derived from domain-specific knowledge, even in integral form, to improve the accuracy of the solution. We investigate a particular equation in a one-dimensional Conformal Field Theory.

Continual Learning (CL) focuses on maximizing the predictive performance of a model across a non-stationary stream of data. Unfortunately, CL models tend to forget previous knowledge, thus often underperforming when compared with an offline model trained jointly on the entire data stream. Given that any CL model will eventually make mistakes, it is of crucial importance to build calibrated CL models: models that can reliably tell their confidence when making a prediction. Model calibration is an active research topic in machine learning, yet to be properly investigated in CL. We provide the first empirical study of the behavior of calibration approaches in CL, showing that CL strategies do not inherently learn calibrated models. To mitigate this issue, we design a continual calibration approach that improves the performance of post-processing calibration methods over a wide range of different benchmarks and CL strategies. CL does not necessarily need perfect predictive models, but rather it can benefit from reliable predictive models. We believe our study on continual calibration represents a first step towards this direction.

Modern Neural Machine Translation systems exhibit strong performance in several different languages and are constantly improving. Their ability to learn continuously is, however, still severely limited by the catastrophic forgetting issue. In this work, we leverage a key property of encoder-decoder Transformers, i.e. their generative ability, to propose a novel approach to continually learning Neural Machine Translation systems. We show how this can effectively learn on a stream of experiences comprising different languages, by leveraging a replay memory populated by using the model itself as a generator of parallel sentences. We empirically demonstrate that our approach can counteract catastrophic forgetting without requiring explicit memorization of training data. Code will be publicly available upon publication. Code: https://github.com/m-resta/sg-rep

Dynamic multi-relational graphs are an expressive relational representation for data enclosing entities and relations of different types, and where relationships are allowed to vary in time. Addressing predictive tasks over such data requires the ability to find structure embeddings that capture the diversity of the relationships involved, as well as their dynamic evolution. In this work, we establish a novel class of challenging tasks for dynamic multi-relational graphs involving out-of-domain link prediction, where the relationship being predicted is not available in the input graph. We then introduce a novel Graph Neural Network model, named GOOD, designed specifically to tackle the out-of-domain generalization problem. GOOD introduces a novel design concept for multi-relation embedding aggregation, based on the idea that good representations are such when it is possible to disentangle the mixing proportions of the different relational embeddings that have produced it. We also propose five benchmarks based on two retail domains, where we show that GOOD can effectively generalize predictions out of known relationship types and achieve state-of-the-art results. Most importantly, we provide insights into problems where out-of-domain prediction might be preferred to an in-domain formulation, that is, where the relationship to be predicted has very few positive examples.

Consciousness has been historically a heavily debated topic in engineering, science, and philosophy. On the contrary, awareness had less success in raising the interest of scholars in the past. However, things are changing as more and more researchers are getting interested in answering questions concerning what awareness is and how it can be artificially generated. The landscape is rapidly evolving, with multiple voices and interpretations of the concept being conceived and techniques being developed. The goal of this paper is to summarize and discuss the ones among these voices that are connected with projects funded by the EIC Pathfinder Challenge called "Awareness Inside", a nonrecurring call for proposals within Horizon Europe that was designed specifically for fostering research on natural and synthetic awareness. In this perspective, we dedicate special attention to challenges and promises of applying synthetic awareness in robotics, as the development of mature techniques in this new field is expected to have a special impact on generating more capable and trustworthy embodied systems.

Solving NP-hard/complete combinatorial problems with neural networks is a challenging research area that aims to surpass classical approximate algorithms. The long-term objective is to outperform hand-designed heuristics for NP-hard/complete problems by learning to generate superior solutions solely from training data. Current neural-based methods for solving CO problems often overlook the inherent "algorithmic" nature of the problems. In contrast, heuristics designed for CO problems, e.g. TSP, frequently leverage well-established algorithms, such as those for finding the minimum spanning tree. In this paper, we propose leveraging recent advancements in neural algorithmic reasoning to improve the learning of CO problems. Specifically, we suggest pre-training our neural model on relevant algorithms before training it on CO instances. Our results demonstrate that by using this learning setup, we achieve superior performance compared to non-algorithmically informed deep learning models.

This work focuses on the task of property targeting: that is, generating molecules conditioned on target chemical properties to expedite candidate screening for novel drug and materials development. DiGress is a recent diffusion model for molecular graphs whose distinctive feature is allowing property targeting through classifier-based (CB) guidance. While CB guidance may work to generate molecular-like graphs, we hint at the fact that its assumptions apply poorly to the chemical domain. Based on this insight we propose a classifier-free DiGress (FreeGress), which works by directly injecting the conditioning information into the training process. CF guidance is convenient given its less stringent assumptions and since it does not require to train an auxiliary property regressor, thus halving the number of trainable parameters in the model. We empirically show that our model yields up to 79% improvement in Mean Absolute Error with respect to DiGress on property targeting tasks on QM9 and ZINC-250k benchmarks. As an additional contribution, we propose a simple yet powerful approach to improve chemical validity of generated samples, based on the observation that certain chemical properties such as molecular weight correlate with the number of atoms in molecules.

Recent progress in research on Deep Graph Networks (DGNs) has led to a maturation of the domain of learning on graphs. Despite the growth of this research field, there are still important challenges that are yet unsolved. Specifically, there is an urge of making DGNs suitable for predictive tasks on realworld systems of interconnected entities, which evolve over time. With the aim of fostering research in the domain of dynamic graphs, at first, we survey recent advantages in learning both temporal and spatial information, providing a comprehensive overview of the current state-of-the-art in the domain of representation learning for dynamic graphs. Secondly, we conduct a fair performance comparison among the most popular proposed approaches on node and edge-level tasks, leveraging rigorous model selection and assessment for all the methods, thus establishing a sound baseline for evaluating new architectures and approaches

This work concerns control-oriented and structure-preserving learning of low-dimensional approximations of high-dimensional physical systems, with a focus on mechanical systems. We investigate the integration of neural autoencoders in model order reduction, while at the same time preserving Hamiltonian or Lagrangian structures. We focus on extensively evaluating the considered methodology by performing simulation and control experiments on large mass-spring-damper networks, with hundreds of states. The empirical findings reveal that compressed latent dynamics with less than 5 degrees of freedom can accurately reconstruct the original systems' transient and steady-state behavior with a relative total error of around 4\%, while simultaneously accurately reconstructing the total energy. Leveraging this system compression technique, we introduce a model-based controller that exploits the mathematical structure of the compressed model to regulate the configuration of heavily underactuated mechanical systems.