Adapting to task changes without forgetting previous knowledge is a key skill for intelligent systems, and a crucial aspect of lifelong learning. Swarm controllers, however, are typically designed for specific tasks, lacking the ability to retain knowledge across changing tasks. Lifelong learning, on the other hand, focuses on individual agents with limited insights into the emergent abilities of a collective like a swarm. To address this gap, we introduce a lifelong evolutionary framework for swarms, where a population of swarm controllers is evolved in a dynamic environment that incrementally presents novel tasks. This requires evolution to find controllers that quickly adapt to new tasks while retaining knowledge of previous ones, as they may reappear in the future. We discover that the population inherently preserves information about previous tasks, and it can reuse it to foster adaptation and mitigate forgetting. In contrast, the top-performing individual for a given task catastrophically forgets previous tasks. To mitigate this phenomenon, we design a regularization process for the evolutionary algorithm, reducing forgetting in top-performing individuals. Evolving swarms in a lifelong fashion raises fundamental questions on the current state of deep lifelong learning and on the robustness of swarm controllers in dynamic environments.

Concept Bottleneck Models (CBMs) are machine learning models that improve interpretability by grounding their predictions on human-understandable concepts, allowing for targeted interventions in their decision-making process. However, when intervened on, CBMs assume the availability of humans that can identify the need to intervene and always provide correct interventions. Both assumptions are unrealistic and impractical, considering labor costs and human error-proneness. In contrast, Learning to Defer (L2D) extends supervised learning by allowing machine learning models to identify cases where a human is more likely to be correct than the model, thus leading to deferring systems with improved performance. In this work, we gain inspiration from L2D and propose Deferring CBMs (DCBMs), a novel framework that allows CBMs to learn when an intervention is needed. To this end, we model DCBMs as a composition of deferring systems and derive a consistent L2D loss to train them. Moreover, by relying on a CBM architecture, DCBMs can explain why defer occurs on the final task. Our results show that DCBMs achieve high predictive performance and interpretability at the cost of deferring more to humans.

Optimizing chemical properties is a challenging task due to the vastness and complexity of chemical space. Here, we present a generative energy-based architecture for implicit chemical property optimization, designed to efficiently generate molecules that satisfy target properties without explicit conditional generation. We use Graph Energy Based Models and a training approach that does not require property labels.

Graph State Space Models (SSMs) have recently been introduced to enhance Graph Neural Networks (GNNs) in modeling long-range interactions. Despite their success, existing methods either compromise on permutation equivariance or limit their focus to pairwise interactions rather than sequences. Building on the connection between Autoregressive Moving Average (ARMA) and SSM, in this paper, we introduce GRAMA, a Graph Adaptive method based on a learnable Autoregressive Moving Average (ARMA) framework that addresses these limitations. By transforming from static to sequential graph data, GRAMA leverages the strengths of the ARMA framework, while preserving permutation equivariance. Moreover, GRAMA incorporates a selective attention mechanism for dynamic learning of ARMA coefficients, enabling efficient and flexible long-range information propagation. We also establish theoretical connections between GRAMA and Selective SSMs, providing insights into its ability to capture long-range dependencies. Extensive experiments on 14 synthetic and real-world datasets demonstrate that GRAMA consistently outperforms backbone models and performs competitively with state-of-the-art methods.

Hyperparameter selection in continual learning scenarios is a challenging and underexplored aspect, especially in practical non-stationary environments. Traditional approaches, such as grid searches with held-out validation data from all tasks, are unrealistic for building accurate lifelong learning systems. This paper aims to explore the role of hyperparameter selection in continual learning and the necessity of continually and automatically tuning them according to the complexity of the task at hand. Hence, we propose leveraging the nature of sequence task learning to improve Hyperparameter Optimization efficiency. By using the functional analysis of variance-based techniques, we identify the most crucial hyperparameters that have an impact on performance. We demonstrate empirically that this approach, agnostic to continual scenarios and strategies, allows us to speed up hyperparameters optimization continually across tasks and exhibit robustness even in the face of varying sequential task orders. We believe that our findings can contribute to the advancement of continual learning methodologies towards more efficient, robust and adaptable models for real-world applications.

Multi-Task Reinforcement Learning aims at developing agents that are able to continually evolve and adapt to new scenarios. However, this goal is challenging to achieve due to the phenomenon of catastrophic forgetting and the high demand of computational resources. Learning from scratch for each new task is not a viable or sustainable option, and thus agents should be able to collect and exploit prior knowledge while facing new problems. While several methodologies have attempted to address the problem from different perspectives, they lack a common structure. In this work, we propose a new framework, I Know How (IKH), which provides a common formalization. Our methodology focuses on modularity and compositionality of knowledge in order to achieve and enhance agent's ability to learn and adapt efficiently to dynamic environments. To support our framework definition, we present a simple application of it in a simulated driving environment and compare its performance with that of state-of-the-art approaches.

Learning Continuous-Time Dynamic Graphs (C-TDGs) requires accurately modeling spatio-temporal information on streams of irregularly sampled events. While many methods have been proposed recently, we find that most message passing-, recurrent- or self-attention-based methods perform poorly on long-range tasks. These tasks require correlating information that occurred "far" away from the current event, either spatially (higher-order node information) or along the time dimension (events occurred in the past). To address long-range dependencies, we introduce Continuous-Time Graph Anti-Symmetric Network (CTAN). Grounded within the ordinary differential equations framework, our method is designed for efficient propagation of information. In this paper, we show how CTAN's (i) long-range modeling capabilities are substantiated by theoretical findings and how (ii) its empirical performance on synthetic long-range benchmarks and real-world benchmarks is superior to other methods. Our results motivate CTAN's ability to propagate long-range information in C-TDGs as well as the inclusion of long-range tasks as part of temporal graph models evaluation.

The need for modelling causal knowledge at different levels of granularity arises in several settings. Causal Abstraction provides a framework for formalizing this problem by relating two Structural Causal Models at different levels of detail. Despite increasing interest in applying causal abstraction, e.g. in the interpretability of large machine learning models, the graphical and parametrical conditions under which a causal model can abstract another are not known. Furthermore, learning causal abstractions from data is still an open problem. In this work, we tackle both issues for linear causal models with linear abstraction functions. First, we characterize how the low-level coefficients and the abstraction function determine the high-level coefficients and how the high-level model constrains the causal ordering of low-level variables. Then, we apply our theoretical results to learn high-level and low-level causal models and their abstraction function from observational data. In particular, we introduce Abs-LiNGAM, a method that leverages the constraints induced by the learned high-level model and the abstraction function to speedup the recovery of the larger low-level model, under the assumption of non-Gaussian noise terms. In simulated settings, we show the effectiveness of learning causal abstractions from data and the potential of our method in improving scalability of causal discovery.

The dynamics of information diffusion within graphs is a critical open issue that heavily influences graph representation learning, especially when considering long-range propagation. This calls for principled approaches that control and regulate the degree of propagation and dissipation of information throughout the neural flow. Motivated by this, we introduce (port-)Hamiltonian Deep Graph Networks, a novel framework that models neural information flow in graphs by building on the laws of conservation of Hamiltonian dynamical systems. We reconcile under a single theoretical and practical framework both non-dissipative long-range propagation and non-conservative behaviors, introducing tools from mechanical systems to gauge the equilibrium between the two components. Our approach can be applied to general message-passing architectures, and it provides theoretical guarantees on information conservation in time. Empirical results prove the effectiveness of our port-Hamiltonian scheme in pushing simple graph convolutional architectures to state-of-the-art performance in long-range benchmarks.

A common problem in Message-Passing Neural Networks is oversquashing -- the limited ability to facilitate effective information flow between distant nodes. Oversquashing is attributed to the exponential decay in information transmission as node distances increase. This paper introduces a novel perspective to address oversquashing, leveraging properties of global and local non-dissipativity, that enable the maintenance of a constant information flow rate. Namely, we present SWAN, a uniquely parameterized model GNN with antisymmetry both in space and weight domains, as a means to obtain non-dissipativity. Our theoretical analysis asserts that by achieving these properties, SWAN offers an enhanced ability to transmit information over extended distances. Empirical evaluations on synthetic and real-world benchmarks that emphasize long-range interactions validate the theoretical understanding of SWAN, and its ability to mitigate oversquashing.