Finding synthesis routes for molecules of interest is essential in the discovery of new drugs
and materials. To find such routes, computer-assisted synthesis planning (CASP) methods …

B cell and T cell receptor repertoires compose the adaptive immune receptor repertoire
(AIRR) of an individual. The AIRR is a unique collection of antigen-specific receptors that …

We introduce a modern Hopfield network with continuous states and a corresponding
update rule. The new Hopfield network can store exponentially (with the dimension of the …

Deep learning algorithms have been utilized to achieve enhanced performance in pattern-
recognition tasks. The ability to learn complex patterns in data has tremendous implications …

CLIP yielded impressive results on zero-shot transfer learning tasks and is considered as a
foundation model like BERT or GPT3. CLIP vision models that have a rich representation are …

Generative machine learning (ML) has been postulated to become a major driver in the
computational design of antigen-specific monoclonal antibodies (mAb). However, efforts to …

Dense Associative Memories or modern Hopfield networks permit storage and reliable
retrieval of an exponentially large (in the dimension of feature space) number of memories …

We introduce the sparse modern Hopfield model as a sparse extension of the modern
Hopfield model. Like its dense counterpart, the sparse modern Hopfield model equips a …

The rise of deep learning in today's applications entailed an increasing need in explaining
the model's decisions beyond prediction performances in order to foster trust and …

To quantify uncertainty, conformal prediction methods are gaining continuously more
interest and have already been successfully applied to various domains. However, they are …