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Many important physical processes have dynamics that are too complex to completely model analytically. Optimisation of such processes often relies on intuition, trial-and-error, or the construction of empirical models. Machine learning…
Modern autonomous multi-agent systems combine heterogeneous learning mechanisms operating at different timescales. An open question remains: can one formally guarantee that coupled dynamics of such mechanisms stay within the admissible…
The statelessness of foundation models bottlenecks agentic systems' ability to continually learn, a core capability for long-horizon reasoning and adaptation. To address this limitation, agentic systems commonly incorporate memory modules…
We study the problem of learning to predict the next state of a dynamical system when the underlying evolution function is unknown. Unlike previous work, we place no parametric assumptions on the dynamical system, and study the problem from…
Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…
Active learning (AL) is a subfield of machine learning (ML) in which a learning algorithm could achieve good accuracy with less training samples by interactively querying a user/oracle to label new data points. Pool-based AL is…
Learning is a process which can update decision rules, based on past experience, such that future performance improves. Traditionally, machine learning is often evaluated under the assumption that the future will be identical to the past in…
Active learning (AL) repeatedly trains the classifier with the minimum labeling budget to improve the current classification model. The training process is usually supervised by an uncertainty evaluation strategy. However, the uncertainty…
Machine learning has become increasingly popular for efficiently modelling the dynamics of complex physical systems, demonstrating a capability to learn effective models for dynamics which ignore redundant degrees of freedom. Learned…
Active learning is a valuable tool for efficiently exploring complex spaces, finding a variety of uses in materials science. However, the determination of convex hulls for phase diagrams does not neatly fit into traditional active learning…
Active Learning (AL) addresses the crucial challenge of enabling machines to efficiently gather labeled examples through strategic queries. Among the many AL strategies, Uncertainty Sampling (US) stands out as one of the most widely…
Accuracy of molecular dynamics simulations depends crucially on the interatomic potential used to generate forces. The gold standard would be first-principles quantum mechanics (QM) calculations, but these become prohibitively expensive at…
Model-Agnostic Meta-Learning (MAML) has become increasingly popular for training models that can quickly adapt to new tasks via one or few stochastic gradient descent steps. However, the MAML objective is significantly more difficult to…
Self-consistent N-body simulations are efficient tools to study galactic dynamics. However, using them to study individual trajectories (or ensembles) in detail can be challenging. Such orbital studies are important to shed light on global…
Materials discovery is a cornerstone of modern technological advancement, yet it remains constrained by traditional trial-and-error paradigms and the inherent bias of human intuition. Artificial intelligence (AI) has emerged as a…
While deep learning is a powerful tool for natural language processing (NLP) problems, successful solutions to these problems rely heavily on large amounts of annotated samples. However, manually annotating data is expensive and…
Which volume to annotate next is a challenging problem in building medical imaging datasets for deep learning. One of the promising methods to approach this question is active learning (AL). However, AL has been a hard nut to crack in terms…
We propose machine learning (ML) models to predict the electron density -- the fundamental unknown of a material's ground state -- across the composition space of concentrated alloys. From this, other physical properties can be inferred,…
Active learning (AL) is a sequential learning scheme aiming to select the most informative data. AL reduces data consumption and avoids the cost of labeling large amounts of data. However, AL trains the model and solves an acquisition…
The integration of Large Language Models (LLMs) into robotics has unlocked unprecedented capabilities in high-level task planning. However, most current systems operate in an open-loop fashion, where LLMs act as one-shot planners, rendering…