Related papers: SMISS: A protein function prediction server by int…
Development of scoring functions (SFs) used to predict protein-ligand binding energies requires high-quality 3D structures and binding assay data for training and testing their parameters. In this work, we show that one of the widely-used…
Parameter servers (PSs) facilitate the implementation of distributed training for large machine learning tasks. In this paper, we argue that existing PSs are inefficient for tasks that exhibit non-uniform parameter access; their performance…
Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…
DNA has been considered a promising medium for storing digital information. As an essential step in the DNA-based data storage workflow, coding algorithms are responsible to implement functions including bit-to-base transcoding, error…
Designing protein sequences that fold into a target 3-D structure, termed as the inverse folding problem, is central to protein engineering. However, it remains challenging due to the vast sequence space and the importance of local…
Multi-site MRI studies often suffer from site-specific variations arising from differences in methodology, hardware, and acquisition protocols, thereby compromising accuracy and reliability in clinical AI/ML tasks. We present PRISM…
Template-free SMILES-to-SMILES translation models for reaction prediction and single-step retrosynthesis are of interest for industrial applications in computer-aided synthesis planning systems due to their state-of-the-art accuracy.…
Choosing a suitable deep learning architecture for multimodal data fusion is a challenging task, as it requires the effective integration and processing of diverse data types, each with distinct structures and characteristics. In this…
Accurate and early prediction of a disease allows to plan and improve a patient's quality of future life. During pandemic situations, the medical decision becomes a speed challenge in which physicians have to act fast to diagnose and…
Multimodal protein features play a crucial role in protein function prediction. However, these features encompass a wide range of information, ranging from structural data and sequence features to protein attributes and interaction…
Speculative decoding has been shown as an effective way to accelerate Large Language Model (LLM) inference by using a Small Speculative Model (SSM) to generate candidate tokens in a so-called speculation phase, which are subsequently…
CTR prediction is essential for modern recommender systems. Ranging from early factorization machines to deep learning based models in recent years, existing CTR methods focus on capturing useful feature interactions or mining important…
Protein phosphorylation involves the reversible modification of a protein (substrate) residue by another protein (kinase). Liquid chromatography-mass spectrometry studies are rapidly generating massive protein phosphorylation datasets…
The recent rise of cryo-EM and X-ray high-throughput techniques is providing a wealth of new structures trapped in different conformations. Understanding how proteins transition between different conformers, and how they relate to each…
Solvent plays an essential role in a variety of chemical, physical, and biological processes that occur in the solution phase. The reference interaction site model (RISM) and its three-dimensional extension (3D-RISM) serve as powerful…
In this paper, we develop DeepSinger, a multi-lingual multi-singer singing voice synthesis (SVS) system, which is built from scratch using singing training data mined from music websites. The pipeline of DeepSinger consists of several…
This paper proposes the use of model-checking software technology for the verification of workflows and business processes behaviour based on web services, namely the use of the SPIN model checker. Since the specification of a business…
Compilers are essential for the performance and correct execution of software and hold universal relevance across various scientific disciplines. Despite this, there is a notable lack of tools for testing and evaluating them, especially…
In this paper, a novel Snail Homing and Mating Search (SHMS) algorithm is proposed. It is inspired from the biological behaviour of the snails. Snails continuously travels to find food and a mate, leaving behind a trail of mucus that serves…
Deploying large language model (LLM)-driven conversational agents in enterprise settings requires prompts that are simultaneously correct at launch and resilient to the non-deterministic behavioral drift that characterizes production LLM…