Pietro Liò
Professor
at University of Cambridge
📚 Professor at University of Cambridge
|
Cambridge, Cambridge, United Kingdom
Mutual Connections
Loading...
Send Message
Connections
Loading...
No results found.
Edit Profile
Crop Profile Picture
New Email Address*
220
Publications
1
Followers
0
Following
0
Questions
👤 About
I am Full Professor at the department of Computer Science and Technology of the University of Cambridge and I am a member of the Artificial Intelligence group. I am a member of the Cambridge Centre for AI in Medicine.
Background: PhD in Complex Systems and Non Linear Dynamics (School of Informatics, dept of Engineering of the University of Firenze, Italy) and PhD in (Theoretical) Genetics (University of Pavia, Italy). More information is on my personal homepage
Other Affliations: Fellow and member of the Council of Clare Hall College, member of Ellis, the European Lab for Learning & Intelligent Systems, I am member of the Academia Europaea; I am listed in www.topitalianscientists.org/Top_italian_scientists_VIA-Academy.aspx
I am happy to receive enquiries for PhD applications. I have successfully completed the equality and diversity essentials.
My research interest focuses on developing Artificial Intelligence and Computational Biology models to understand diseases complexity and address personalised and precision medicine. Current focus is on Graph Neural Network modeling to build predictive models based on the integration of multi scale, multi omics and multi physics data; integrate deep learning and mechanistic approaches; explainability and interpretability in medicine; exploiting short and long range communications in the human body, between cells and tissues and predict emerging mechanistic properties at systemic medicine level. Develop an AI-based medical digital twin to increase self-awareness; Develop an AI personal decision support system to increase social awareness.
Skills & Expertise
Machine Learning
Genomics
Neural Networks
Dynamics
Bioinformatics and biostatics
Computational Intelligence
Research Interests
Artificial Intelligence
Machine Learning
Deep Learning
Medical Imaging Technology
nonlinear dynamics
Computer Science
Biology
Computer Vision
Bioinformatics
Medicine
deep learning
Complex Systems
AI methodology
Geometric deep learning
Graph Neural Networks
Hypergraphs
Neural ODE
PDE
Latent force models
Neural execution of algorithms
multimodality
Neuroimaging
Precision Medicine
Computational Biology
Personalised Medicine
Disease Complexity Modeling
Explainable AI
Mechanistic Modeling
Systems Medicine
Multi-Omics Data Integration
Medical Digital Twin
Decision Support Systems
Human Body Communication
Theoretical Genetics
Nonlinear Dynamics
AI in Medicine
Predictive Modeling
Digital Health
Health Informatics
Stroke MRI Analysis
Real-Time Cancer Imaging
Feature Visualization
Clinical Decision Support Systems
Chronic Disease Prediction
Translational Data Science
Data Science Algorithms
EEG and ECG Analysis
Secondary Data Utilization
Automated Disease Diagnosis
Interpretable Machine Learning
Connect With Me
💼 Experience
Professor
University of Cambridge
·
December 1998 -
Present
Visiting Professor
University of Padova (UP)
·
December 2013 -
December 2018
Research Associate
University of Southampton (US)
·
December 1996 -
December 1997
- Research Associate in Statistical Epidemiology, Princess Anne Hospital, University of Southampton
Lecturer
University of Florence (UF)
·
December 1988 -
December 1990
🎓 Education
University of Pavia (UP)
Ph.D. in
Theoretical Genetics
· 1998
University of Florence (UF)
Ph.D. in
Complex Systems and Non Linear Dynamics
· 1998
🚀 Projects
MICA: Mental Health Data Pathfinder
Agency Name: University of Cambridge ||
June 2018 - June 2021
Funded: Yes ||
Amount: USD 1,995,119
Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details. Technical Summary With strong NHS partnerships and recent contributions to national mental health (MH) informatics, we shall add novel methods, epidemiology and phenotyping to the MH Platform. We envisage a modular pipeline that de-identifies MH data; supports flexible consent for sharing/contact; and links MH, cognitive, physical, psychosocial and biomarker data. Project (P) 1. Our open-source tools de-identify clinical records to create CPFT’s Research Database, supporting research and participation. We shall extend them to generate anonymised subsets and link data from consenting patients across MH/community services, acute care, and research organizations, including from existing deeply phenotyped longitudinal cohorts. We emphasize rigorous interface standards and NHS governance over identifiable/pseudonymised data. We shall collaborate on a national natural language processing framework, allowing NHS/research organizations to generate structured data from free text. P2. We have created novel open-source neuropsychiatric assessment software. We shall extend it for broad and integrated NHS and research use. This will take automated cognitive testing into routine clinical practice. As a bold but tractable exemplar with research and clinical applications, we shall use it to apply electronic diagnostic algorithms and neuropsychiatric phenotyping, and link these detailed data to clinical records and biomarkers that include immunophenotyping. P3. We shall apply P1 tools to a public health crisis: the premature death of those with serious mental illness. We shall link MH, national and acute Trust data and use machine learning to develop early predictors of mortality. P4. We shall democratize MH research though broad consultation on generic tiered consent models for data-sharing and participation, by giving the research database direct clinical interfaces, and by enhancing data visualization to help clinicians and service users develop research and the NHS improve local services.
Chemometric Histopathology via Coherent Raman Imaging for Precision Medicine
Agency Name: Horizon Europe ||
June 2022 - Present
Funded: Yes ||
Amount: £275k
Ultrafast Holographic FTIR Microscopy
Agency Name: Horizon Europe ||
June 2022 - Present
Funded: Yes ||
Amount: £294k
Trophy (G112412 NRAG/752), Horizon Europe UKRI Underwrite Innovate, Title:
Ultrafast Holographic FTIR Microscopy (2022-2026)
🎤 Conferences & Seminars (2)
Denoising Probabilistic Diffusion Models for Synthetic Healthcare Image Generation
IEEE - Institute of Electrical and Electronics Engineers · City ,
Crete, Country ·
June 2024
Healthcare data are an essential resource in Machine Learning (ML) and Artificial Intelligence (AI) to improve clinical practice, empower patients and enhance drug development with the aim to discover new medical knowledge. In particular, the biomedical imaging analysis plays a important role in the health-care context producing a huge amount of data that can be used to study complex diseases and their evolution in a deeper way or to predict their onsets. In this work we consider an approach based on Denoising Diffusion Probabilistic Models (DDPM) which is a type of generative model that uses a parameterized Markov chain and variational inference to generate synthetic samples that match real data. In particular, we execute a study by training on Malaria images and generating high-quality synthetic samples in order (i) to test the performance of the DDPMs, (ii) to estimate the association between original and synthetic data and (iii) to understand how the natural and human-made environmental factors impact Malaria disease. Finally, we use a well-defined convolutional neural network for classification tasks to assess the DDPM's goodness in generating the synthetic images.
7th International Conference on Computational and Mathematical Biomedical Engineering
Politecnico di Milano · Cambridge,
Cambridge, Country ·
June 2021
EVENTS: 20/10/20 talk at TEDxCambridgeUniversity
23/11/20 talk on AI and Medicine at FuturoRemoto, Naples; 28-30 June 2021: Plenary Lecture at CMBE21 (7th International Conference on Computational and Mathematical Biomedical
Engineering); Politecnico di Milano.
🏅 Certificates & Licenses (1)
BITS Bioinformatics Italian Society
Event: BITS Bioinformatics Italian Society ·
BITS · Issued on June 2018
🏆 Awards & Achievements (2)
🏆 Best student paper
Awarded by: AIAI2020 || Year:
2020
Description
🏆 Listed in the top Italian Scientists
Awarded by: Italy || Year:
2019
Description
👨🎓 Thesis Guided (1)
Deep concept reasoning: beyond the accuracy-interpretability trade-off
Name: Ph.D Thesis || Type:
Ph.D. Thesis || Status:
Institution: University of Cambridge
Computer Science and Technology
Professional Memberships (2)
University of Cambridge
Member: examiner of ACS MPhil || Join dt:
2023 - 2023
Country: United Kingdom
University of Cambridge
Member: Member || Join dt:
2023 - 2023
Country: United Kingdom
✉️ Invited Position (3)
The 8th Cambridge-UTokyo Joint Symposium: Parallel Session 3 AI Trends, Opportunities and Threats
Organization Name:
West Hub, Cambridge || Country:
United Kingdom
From 2023 -
2023
OxML 2023
Organization Name:
University of Oxford || Country:
United Kingdom
From 2023 -
2023
DEGAS at GSP Workshop 2023: AI and Medicine: Graph and Hypergraph Representation Learning
Organization Name:
IEEE Signal Processing Society || Country:
United Kingdom
From 2023 -
2023
Add New Journal
📚 Publications (220)
Journal: Neurocomputing
• September 2024
Graph neural networks (GNNs) have gained significant attention for their ability to learn representations from graph-structured data, in which message passing and feature fusion strategies play an ess...
Journal: IEEE INTERNET OF THINGS JOURNAL
• September 2024
A heterogeneous information network (heterogeneous graph) federated learning plays a crucial role in enabling multi-party collaboration in the IoT system. However, due to differences in business and d...
Journal: Expert Systems with Applications
• September 2024
Android malware seriously affects the use of Android applications, and a growing number of Android malware developers are using adversarial attacks to evade detection by deep learning models. This wor...
Journal: ArXiv.org
• September 2024
Heterogeneous graphs, with nodes and edges of different types, are commonly used to model relational structures in many real-world applications. Standard Graph Neural Networks (GNNs) struggle to proce...
Journal: ArXiv.org
• September 2024
Neural Algorithmic Reasoning (NAR) aims to optimize classical algorithms. However, canonical implementations of NAR train neural networks to return only a single solution, even when there are multiple...
Journal: Cell Discovery
• September 2024
Deep learning-based methods for generating functional proteins address the growing need for novel biocatalysts, allowing for precise tailoring of functionalities to meet specific requirements. This ad...
Journal: ArXiv.org
• September 2024
We address the problem of learning uncertainty-aware representations for graph-structured data. While Graph Neural Ordinary Differential Equations (GNODE) are effective in learning node representation...
Journal: ArXiv.org
• September 2024
Hypergraphs are characterized by complex topological structure, representing higher-order interactions among multiple entities through hyperedges. Lately, hypergraph-based deep learning methods to lea...
Journal: bioRxiv
• September 2024
Motivation Computational models are crucial for addressing critical questions about systems evolution and deciphering system connections. The pivotal feature of making this concept recognisable from t...
Journal: ArXiv.org
• September 2024
Score-based generative models (SGMs) have proven to be powerful tools for designing new proteins. Designing proteins that bind a pre-specified target is highly relevant to a range of medical and indus...
Journal: Cell Discovery
• September 2024
Deep learning-based methods for generating functional proteins address the growing need for novel biocatalysts, allowing for precise tailoring of functionalities to meet specific requirements. This em...
Journal: ArXiv.org
• September 2023
Fact verification aims to verify a claim using evidence from a trustworthy knowledge base. To address this challenge, algorithms must produce features for every claim that are both semantically meanin...
Journal: IEEE Transactions on Parallel and Distributed Systems
• September 2023
With the wide application of deep learning, the amount of data required to train deep learning models is becoming increasingly larger, resulting in an increased training time and higher requirements f...
Journal: Nature
• September 2023
Investigating the role of host genetic factors in COVID-19 severity and susceptibility can inform our understanding of the underlying biological mechanisms that influence adverse outcomes and drug dev...
Journal: Journal of King Saud University Computer and Information Sciences
• September 2023
Predicting fetal brain abnormalities (FBAs) is an urgent global problem, as nearly three of every thousand women are pregnant with neurological abnormalities. Therefore, early detection of FBAs using...
Journal: Proceedings of Machine Learning Research
• September 2023
Graph classification aims to categorise graphs based on their structure and node attributes. In this work, we propose to tackle this task using tools from graph signal processing by deriving spectral...
Journal: ArXiv.org
• September 2023
Explainable AI (XAI) aims to address the human need for safe and reliable AI systems. However, numerous surveys emphasize the absence of a sound mathematical formalization of key XAI notions -- remark...
Journal: Scientific Reports
• September 2022
Progesterone receptors (PRs) are implicated in various cancers since their presence/absence can determine clinical outcomes. The overstimulation of progesterone can facilitate oncogenesis and thus, it...
Journal: IEEE/ACM Transactions on Networking
• September 2022
After analyzing the long-term evolution (LTE) authentication and key agreement process (EPS-AKA), its existing security vulnerabilities are pointed out. Based on elliptic curve cryptography (ECC) self...
Journal: Frontiers in Big Data
• September 2022
Recent years have seen an increase in the application of machine learning to the analysis of physical and biological systems, including cancer progression. A fundamental downside to these tools is tha...
Journal: Applied Sciences
• September 2022
Biological aging can be affected by several factors such as drug treatments and pathological conditions. Metabolomics can help in the estimation of biological age by analyzing the differences between...
Journal: Computers in Biology and Medicine
• September 2022
Tumor homing peptides (THPs) play a crucial role in recognizing and specifically binding to cancer cells. Although experimental approaches can facilitate the precise identification of THPs, they are u...
Journal: ArXiv.org
• October 2024
Neural Algorithmic Reasoning (NAR) research has demonstrated that graph neural networks (GNNs) could learn to execute classical algorithms. However, most previous approaches have always used a recurre...
Journal: ArXiv.org
• October 2024
We develop a novel data-driven framework as an alternative to dynamic flux balance analysis, bypassing the demand for deep domain knowledge and manual efforts to formulate the optimization problem. Th...
Journal: ACM Computing Surveys
• October 2024
Graphs have a superior ability to represent relational data, such as chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been appl...
Journal: ArXiv.org
• October 2024
The importance of higher-order relations is widely recognized in a large number of real-world systems. However, annotating them is a tedious and sometimes impossible task. Consequently, current approa...
Journal: ArXiv.org
• October 2024
We present Bayesian Binary Search (BBS), a novel probabilistic variant of the classical binary search/bisection algorithm. BBS leverages machine learning/statistical techniques to estimate the probabi...
Journal: Medical Image Analysis
• October 2024
Histopathology image-based survival prediction aims to provide a precise assessment of cancer prognosis and can inform personalized treatment decision-making in order to improve patient outcomes. Howe...
Journal: bioRxiv
• October 2024
Computational RNA design tasks are often posed as inverse problems, where sequences are designed based on adopting a single desired secondary structure without considering 3D geometry and conformation...
Journal: ArXiv.org
• October 2024
Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our u...
Journal: arxiv Physics
• October 2023
To address the challenge of the ``black-box" nature of deep learning in medical settings, we combine GCExplainer - an automated concept discovery solution - along with Logic Explained Networks to prov...
Journal: ArXiv.org
• October 2023
In recent years, the task of text-to-SQL translation, which converts natural language questions into executable SQL queries, has gained significant attention for its potential to democratize data acce...
Journal: Communications Medicine
• October 2023
Background
Classifying samples in incomplete datasets is a common aim for machine learning practitioners, but is non-trivial. Missing data is found in most real-world datasets and these missing value...
Journal: Journal of Computer-Aided Molecular Design
• October 2022
The blood-brain barrier (BBB) is the primary barrier with a highly selective semipermeable border between blood vascular endothelial cells and the central nervous system. Since BBB can prevent drugs c...
Journal: Diagnostics
• October 2022
The practice of medical decision making is changing rapidly with the development of innovative computing technologies. The growing interest of data analysis with improvements in big data computer proc...
Journal: Neurocritical Care
• October 2021
Background
Traumatic brain injury (TBI) is an extremely heterogeneous and complex pathology that requires the integration of different physiological measurements for the optimal understanding and cli...
Journal: ArXiv.org
• October 2020
We advocate here the use of computational logic for systems biology, as a \emph{unified and safe} framework well suited for both modeling the dynamic behaviour of biological systems, expressing proper...
Journal: Advanced Intelligent Systems
• November 2024
Glioblastoma is the most common adult brain tumor, significantly impacts disability and mortality. Early and accurate diagnosis of glioma subtypes is essential, but manual categorization is challengin...
Journal: ArXiv.org
• November 2024
Deep generative models show promise for de novo protein design, but their effectiveness within specific protein families remains underexplored. In this study, we evaluate two 3D rigid-body generative...
Journal: IEEE Transactions on Mobile Computing
• November 2024
Fairness in Federated Learning (FL) is imperative not only for the ethical utilization of technology but also for ensuring that models provide accurate, equitable, and beneficial outcomes across varie...
Journal: arxiv Quantitative Biology
• November 2024
Surface-enhanced Raman spectroscopy (SERS) is a potential fast and inexpensive method of analyte quantification, which can be combined with deep learning to discover biomarker-disease relationships. T...
Journal: Software Impacts
• November 2024
LandSin, a web application with a back-end database, is developed for global land value estimation by combining polynomial regression and differential privacy models. Leveraging local amenities and pr...
Journal: ArXiv.org
• November 2024
Graph Neural Networks (GNNs) have emerged as the predominant paradigm for learning from graph-structured data, offering a wide range of applications from social network analysis to bioinformatics. Des...
Journal: ArXiv.org
• November 2024
Generative modelling paradigms based on denoising diffusion processes have emerged as a leading candidate for conditional sampling in inverse problems. In many real-world applications, we often have a...
Journal: ArXiv.org
• November 2024
The significant features identified in a representative subset of the dataset during the learning process of an artificial intelligence model are referred to as a 'global' explanation. 3D global expla...
Journal: ArXiv.org
• November 2023
Embedding graphs in continous spaces is a key factor in designing and developing algorithms for automatic information extraction to be applied in diverse tasks (e.g., learning, inferring, predicting)....
Journal: Communications Chemistry
• November 2023
Atom-centred neural networks represent the state-of-the-art for approximating the quantum chemical properties of molecules, such as internal energies. While the design of machine learning architecture...
Journal: ArXiv.org
• November 2023
A Quantum Field Theory is defined by its interaction Hamiltonian, and linked to experimental data by the scattering matrix. The scattering matrix is calculated as a perturbative series, and represente...
Journal: ArXiv.org
• November 2023
Graph neural networks (GNNs) have led to major breakthroughs in a variety of domains such as drug discovery, social network analysis, and travel time estimation. However, they lack interpretability wh...
Journal: ArXiv.org
• November 2023
Implicit neural representations (INRs) have garnered significant interest recently for their ability to model complex, high-dimensional data without explicit parameterisation. In this work, we introdu...
Journal: ArXiv.org
• November 2023
In real-world scenarios, although data entities may possess inherent relationships, the specific graph illustrating their connections might not be directly accessible. Latent graph inference addresses...
Journal: ArXiv.org
• November 2023
We present a method to integrate Large Language Models (LLMs) and traditional tabular data classification techniques, addressing LLMs challenges like data serialization sensitivity and biases. We intr...
Journal: ArXiv.org
• November 2023
Traffic videos inherently differ from generic videos in their stationary camera setup, thus providing a strong motion prior where objects often move in a specific direction over a short time interval....
Journal: ArXiv.org
• November 2023
Graph convolutions have been a pivotal element in learning graph representations. However, recursively aggregating neighboring information with graph convolutions leads to indistinguishable node featu...
Journal: Computer Methods and Programs in Biomedicine
• November 2023
Background and Objective: High-resolution histopathology whole slide images (WSIs) contain abundant valuable
information for cancer prognosis. However, most computational pathology methods for surviv...
Journal: ArXiv.org
• November 2022
Neural networks with PDEs embedded in their loss functions (physics-informed neural networks) are employed as a function approximators to find solutions to the Ricci flow (a curvature based evolution)...
Journal: ArXiv.org
• November 2022
Kernels on graphs have had limited options for node-level problems. To address this, we present a novel, generalized kernel for graphs with node feature data for semi-supervised learning. The kernel i...
Journal: ArXiv.org
• November 2022
In the wake of the growing popularity of machine learning in particle physics, this work finds a new application of geometric deep learning on Feynman diagrams to make accurate and fast matrix element...
Journal: ArXiv.org
• November 2022
Recent work has suggested post-hoc explainers might be ineffective for detecting spurious correlations in Deep Neural Networks (DNNs). However, we show there are serious weaknesses with the existing e...
Journal: ArXiv.org
• November 2022
Reinforcement learning has seen increasing applications in real-world contexts over the past few years. However, physical environments are often imperfect and policies that perform well in simulation...
Journal: Applied Sciences
• November 2022
Almost all recent deep reinforcement learning algorithms use four consecutive frames as the state space to retain the dynamic information. If the training state data constitute an image, the state spa...
Journal: Proceedings of Machine Learning Research
• November 2022
This paper develops a rotation-invariant needlet convolution for rotation group SO(3) to distill multiscale information of spherical signals. The spherical needlet transform is generalized from \sS2...
Journal: Proceedings of Machine Learning Research
• November 2022
A Sheaf Neural Network (SNN) is a type of Graph Neural Network (GNN) that operates on a sheaf, an object that equips a graph with vector spaces over its nodes and edges and linear maps between these s...
Journal: European Radiology Experimental
• November 2022
NAVIGATOR is an Italian regional project boosting precision medicine in oncology with the aim of making it more predictive, preventive, and personalised by advancing translational research based on qu...
Journal: ACS Omega
• November 2022
Antimalarial peptides (AMAPs) varying in length, amino acid composition, charge, conformational structure, hydrophobicity, and amphipathicity reflect their diversity in antimalarial mechanisms. Due to...
Journal: ArXiv.org
• November 2021
Many real-world relational systems, such as social networks and biological systems, contain dynamic interactions. When learning dynamic graph representation, it is essential to employ sequential tempo...
Journal: ArXiv.org
• November 2021
Recent studies on T1-assisted MRI reconstruction for under-sampled images of other modalities have demonstrated the potential of further accelerating MRI acquisition of other modalities. Most of the s...
Journal: ArXiv.org
• November 2021
Structure-based drug design involves finding ligand molecules that exhibit structural and chemical complementarity to protein pockets. Deep generative methods have shown promise in proposing novel mol...
Journal: Briefings in Bioinformatics
• November 2021
Although chemotherapy is the first-line treatment for ovarian cancer (OCa) patients, chemoresistance (CR) decreases their progression-free survival. This paper investigates the genetic interaction (GI...
Journal: ArXiv.org
• May 2024
Graph hypernetworks (GHNs), constructed by combining graph neural networks (GNNs) with hypernetworks (HNs), leverage relational data across various domains such as neural architecture search, molecula...
Journal: ArXiv.org
• May 2024
Explainability is often critical to the acceptable implementation of artificial intelligence (AI). Nowhere is this more important than healthcare where decision-making directly impacts patients and tr...
Journal: Scientific Reports
• May 2024
Patient triage is crucial in emergency departments, ensuring timely and appropriate care based on correctly evaluating the emergency grade of patient conditions. Triage methods are generally performed...
Journal: arxiv Electrical Engineering and Systems Science
• May 2024
In the last decade, computer vision has witnessed the establishment of various training and learning approaches. Techniques like adversarial learning, contrastive learning, diffusion denoising learnin...
Journal: Science Immunology
• May 2024
Immunotherapy advances have been hindered by difficulties in tracking the behaviors of lymphocytes after antigen signaling. Here, we assessed the behavior of T cells active within tumors through the d...
Journal: ArXiv.org
• May 2024
The accelerated progress of artificial intelligence (AI) has popularized deep learning models across domains, yet their inherent opacity poses challenges, notably in critical fields like healthcare, m...
Journal: Nature Computational Science
• May 2024
Large language models have greatly enhanced our ability to understand biology and chemistry, yet robust methods for structure-based drug discovery, quantum chemistry and structural biology are still s...
Journal: ArXiv.org
• May 2024
All fields of knowledge are being impacted by Artificial Intelligence. In particular, the Deep Learning paradigm enables the development of data analysis tools that support subject matter experts in a...
Journal: IEEE Transactions on Knowledge and Data Engineering
• May 2024
Graph neural networks (GNNs) are powerful models for processing graph data and have demonstrated state-of-the-art performance on many downstream tasks. However, existing GNNs can generally suffer from...
Journal: medRxiv
• May 2024
Background
Rates of childhood mental health problems are increasing in the United Kingdom. Early identification of childhood mental health problems is challenging but critical to future psycho-social...
Journal: Neuroscience Applied
• May 2024
A significant proportion of patients with major depressive disorder (MDD) do not experience remission after one or more pharmacological treatments. Research has explored brain structural measures, par...
Journal: ArXiv.org
• May 2023
Much work has been devoted to devising architectures that build group-equivariant representations, while invariance is often induced using simple global pooling mechanisms. Little work has been done o...
Journal: bioRxiv
• May 2023
Spatial transcriptomic technologies profile gene expression in-situ, facilitating the spatial characterisation of molecular phenomena within tissues, yet often at multi-cellular resolution. Computatio...
Journal: ArXiv.org
• May 2023
The rise of Artificial Intelligence (AI) recently empowered researchers to investigate hard mathematical problems which eluded traditional approaches for decades. Yet, the use of AI in Universal Algeb...
Journal: ArXiv.org
• May 2023
Traditional supervised learning tasks require a label for every instance in the training set, but in many real-world applications, labels are only available for collections (bags) of instances. This p...
Journal: Neural Networks
• May 2023
Deep learning-based models have achieved significant success in detecting cardiac arrhythmia by analyzing ECG signals to categorize patient heartbeats. To improve the performance of such models, we ha...
Journal: IEEE Transactions on Medical Imaging
• May 2023
Recent studies on multi-contrast MRI reconstruction have demonstrated the potential of further accelerating MRI acquisition by exploiting correlation between contrasts. Most of the state-of-the-art ap...
Journal: ChemRxiv
• May 2022
High throughput screening (HTS) is one of the leading techniques for hit identification in drug discovery and is often done in two phases, primary and confirmatory. The resulting data is multi-fidelit...
Journal: IEEE/ACM Transactions on Computational Biology and Bioinformatics
• May 2022
Drug Side–Effects (DSEs) have a high impact on public health, care system costs, and drug discovery processes. Predicting the probability of side–effects, before their occurrence, is fundamental to re...
Journal: Scientific Reports
• May 2022
Amyloid proteins have the ability to form insoluble fibril aggregates that have important pathogenic effects in many tissues. Such amyloidoses are prominently associated with common diseases such as t...
Journal: ArXiv.org
• March 2024
Modern life sciences research is increasingly relying on artificial intelligence approaches to model biological systems, primarily centered around the use of machine learning (ML) models. Although ML...
Journal: bioRxiv
• March 2024
High-throughput screening platforms for the profiling of drug sensitivity of hundreds of cancer cell lines (CCLs) have generated large datasets that hold the potential to unlock targeted, anti-tumor t...
Journal: ArXiv.org
• March 2024
Recent advancements in Graph Neural Networks (GNN) have facilitated their widespread adoption in various applications, including recommendation systems. GNNs have proven to be effective in addressing...
Journal: Nature Methods
• March 2023
The ability to quantify structural changes of the endoplasmic reticulum (ER) is crucial for understanding the structure and function of this organelle. However, the rapid movement and complex topology...
Journal: Engineering Applications of Artificial Intelligence
• March 2023
Traffic congestion is, nowadays, one of the most important highway problems. Highway tolls with booth operators are one of the causes of traffic congestion on highways, especially in rush hour periods...
Journal: ArXiv.org
• March 2023
Super-resolution plays an essential role in medical imaging because it provides an alternative way to achieve high spatial resolutions and image quality with no extra acquisition costs. In the past fe...
Journal: ArXiv.org
• March 2023
It has been increasingly demanding to develop reliable methods to evaluate the progress of Graph Neural Network (GNN) research for molecular representation learning. Existing GNN benchmarking methods...
Journal: Scientific Reports
• March 2022
Fast and accurate identification of phage virion proteins (PVPs) would greatly aid facilitation of antibacterial drug discovery and development. Although, several research efforts based on machine lea...
Journal: Bioinformatics
• March 2022
Motivation
Single-cell RNA sequencing allows high-resolution views of individual cells for libraries of up to millions of samples, thus motivating the use of deep learning for analysis. In this study...
Journal: Bioinformatics
• March 2022
Motivation
Gene expression data are commonly used at the intersection of cancer research and machine learning for better understanding of the molecular status of tumour tissue. Deep learning predicti...
Journal: EXCLI Journal
• March 2022
Thermophilic proteins (TPPs) are critical for basic research and in the food industry due to their ability to maintain a thermodynamically stable fold at extremely high temperatures. Thus, the expedit...
Journal: ArXiv.org
• June 2024
Omics data analysis is crucial for studying complex diseases, but its high dimensionality and heterogeneity challenge classical statistical and machine learning methods. Graph neural networks have eme...
Journal: arxiv Quantitative Biology
• June 2024
We introduce RNA-FrameFlow, the first generative model for 3D RNA backbone design. We build upon SE(3) flow matching for protein backbone generation and establish protocols for data preparation and ev...
Journal: ArXiv.org
• June 2024
We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-training and downstrea...
Journal: Nature Machine Intelligence
• June 2024
Machine learning has provided a means to accelerate early-stage drug discovery by combining molecule generation and filtering steps in a single architecture that leverages the experience and design pr...
Journal: arxiv Quantitative Biology
• June 2024
Antibodies, crucial for immune defense, primarily rely on complementarity-determining regions (CDRs) to bind and neutralize antigens, such as viruses. The design of these CDRs determines the antibody'...
Journal: ArXiv.org
• June 2024
Learning computational fluid dynamics (CFD) traditionally relies on computationally intensive simulations of the Navier-Stokes equations. Recently, large language models (LLMs) have shown remarkable p...
Journal: ArXiv.org
• June 2024
Adversarial purification is a kind of defense technique that can defend various unseen adversarial attacks without modifying the victim classifier. Existing methods often depend on external generative...
Journal: Neurocomputing
• June 2024
This paper introduces Elegans-AI models, a class of neural networks that leverage the connectome topology of the Caenorhabditis elegans to design deep and reservoir architectures. Utilizing deep learn...
Journal: Inverse Problems and Imaging
• June 2024
Convolutional neural networks (CNNs) are known for their powerful feature extraction ability, and have achieved great success in a variety of image processing tasks. However, convolution filters only...
Journal: ArXiv.org
• June 2024
The success of Large Language Models (LLMs), e.g., ChatGPT, is witnessed by their planetary popularity, their capability of human-like communication, and also by their steadily improved reasoning perf...
Interaction between gene expression and morphokinetic parameters in undisturbed human embryo culture
Journal: bioRxiv
• June 2024
Replication of influenza viral RNA depends on at least two viral polymerases, a parental replicase and an encapsidase, and cellular factor ANP32. ANP32 comprises an LRR domain and a long C-terminal lo...
Journal: Nature Machine Intelligence
• June 2023
Data science systems (DSSs) are a fundamental tool in many areas of research and are now being developed by people with a myriad of backgrounds. This is coupled with a crisis in the reproducibility of...
Journal: Research Square
• June 2023
This paper presents ElegansAI, a neural network model that leverages the connectome topology of the Caenorhabditis elegans to design and generate advanced learning systems. The objective of this appro...
Journal: ArXiv.org
• June 2023
Tabular data is often hidden in text, particularly in medical diagnostic reports. Traditional machine learning (ML) models designed to work with tabular data, cannot effectively process information in...
Journal: ArXiv.org
• June 2023
Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological...
Journal: ArXiv.org
• June 2023
Graph Neural Networks (GNNs) have demonstrated remarkable success in learning from graph-structured data. However, they face significant limitations in expressive power, struggling with long-range int...
Journal: ArXiv.org
• June 2023
Reference-based super-resolution (RefSR) has gained considerable success in the field of super-resolution with the addition of high-resolution reference images to reconstruct low-resolution (LR) input...
Journal: ArXiv.org
• June 2023
Graph Neural Networks (GNNs) have become essential for studying complex data, particularly when represented as graphs. Their value is underpinned by their ability to reflect the intricacies of numerou...
Journal: ArXiv.org
• June 2023
Graph Neural Networks usually rely on the assumption that the graph topology is available to the network as well as optimal for the downstream task. Latent graph inference allows models to dynamically...
Journal: Proceedings of the AAAI Conference on Artificial Intelligence
• June 2022
Recent research on graph neural network (GNN) models successfully applied GNNs to classical graph algorithms and combinatorial optimisation problems. This has numerous benefits, such as allowing appli...
Journal: Proceedings of the AAAI Conference on Artificial Intelligence
• June 2022
Explainable artificial intelligence has rapidly emerged since lawmakers have started requiring interpretable models for safety-critical domains. Concept-based neural networks have arisen as explainabl...
Journal: NPJ Precision Oncology
• June 2022
Gastric cancer is one of the deadliest cancers worldwide. An accurate prognosis is essential for effective clinical assessment and treatment. Spatial patterns in the tumor microenvironment (TME) are c...
Journal: ArXiv.org
• June 2022
Classifying samples in incomplete datasets is a common aim for machine learning practitioners, but is non-trivial. Missing data is found in most real-world datasets and these missing values are typica...
Journal: IEEE Transactions on Artificial Intelligence
• June 2022
System evolution analytics with artificial neural networks is a challenging and path-breaking direction, which could ease intelligent processes for systems that evolve over time. In this article, we c...
Journal: ArXiv.org
• July 2024
Sheaf Neural Networks (SNNs) naturally extend Graph Neural Networks (GNNs) by endowing a cellular sheaf over the graph, equipping nodes and edges with vector spaces and defining linear mappings betwee...
Journal: IEEE Access
• July 2024
Sleep apnea (SA) is one of the most prevalent sleep-related problems, impacting more than 100 million people worldwide. A full-night Polysomnography (PSG) is an effective SA diagnosis strategy. Howeve...
Journal: ArXiv.org
• July 2024
The existence of a cosmic background of primordial gravitational waves (PGWB) is a robust prediction of inflationary cosmology, but it has so far evaded discovery. The most promising avenue of its det...
Journal: ArXiv.org
• July 2024
We present a novel, and effective, approach to the long-standing problem of mesh adaptivity in finite element methods (FEM). FE solvers are powerful tools for solving partial differential equations (P...
Journal: ArXiv.org
• July 2024
Clifford Group Equivariant Neural Networks (CGENNs) leverage Clifford algebras and multivectors as an alternative approach to incorporating group equivariance to ensure symmetry constraints in neural...
Journal: ArXiv.org
• July 2024
This paper introduces E(n) Equivariant Message Passing Cellular Networks (EMPCNs), an extension of E(n) Equivariant Graph Neural Networks to CW-complexes. Our approach addresses two aspects of geometr...
Journal: ArXiv.org
• July 2024
Tabular data is prevalent in many critical domains, yet it is often challenging to acquire in large quantities. This scarcity usually results in poor performance of machine learning models on such dat...
Journal: medRxiv
• July 2024
Background The immune response in breast tumors has an important role in prognosis, but the role of spatial localization of immune cells and of interaction between subtypes is not well characterized....
Journal: Proceedings of Machine Learning Research
• July 2023
AI-assisted solutions have recently proven successful when applied to Mathematics and have opened new possibilities for exploring unsolved problems that have eluded traditional approaches for years or...
Journal: Communications Medicine
• July 2023
Background
Identifying prediagnostic neurodegenerative disease is a critical issue in neurodegenerative disease research, and Alzheimer’s disease (AD) in particular, to identify populations suitable...
Journal: ArXiv.org
• July 2023
Graph Neural Networks (GNNs) have shown considerable success in neural algorithmic reasoning. Many traditional algorithms make use of an explicit memory in the form of a data structure. However, there...
Journal: ArXiv.org
• July 2023
Multimodal learning is an essential paradigm for addressing complex real-world problems, where individual data modalities are typically insufficient to accurately solve a given modelling task. While v...
Journal: Nature Machine Intelligence
• July 2023
Integrating gene expression across tissues and cell types is crucial for understanding the coordinated biological mechanisms that drive disease and characterize homoeostasis. However, traditional mult...
Journal: ArXiv.org
• July 2023
Graph Neural Networks (GNNs) have become the leading paradigm for learning on (static) graph-structured data. However, many real-world systems are dynamic in nature, since the graph and node/edge attr...
Journal: IFAC-PapersOnLine
• July 2023
By one of the most fundamental principles in physics, a dynamical system will exhibit those motions which extremise an action functional. This leads to the formation of the Euler-Lagrange equations, w...
Journal: ArXiv.org
• July 2023
Graph neural networks (GNNs) have demonstrated success in learning representations of brain graphs derived from functional magnetic resonance imaging (fMRI) data. However, existing GNN methods assume...
Journal: Medical Image Analysis
• July 2022
Resting-state functional magnetic resonance imaging (rs-fMRI) has been successfully employed to understand the organisation of the human brain. Typically, the brain is parcellated into regions of inte...
Journal: Proceedings of Machine Learning Research
• July 2022
Polythetic classifications, based on shared patterns of features that need neither be universal nor constant among members of a class, are common in the natural world and greatly outnumber monothetic...
Journal: Proceedings of Machine Learning Research
• July 2022
Link prediction aims to reveal missing edges in a graph. We introduce a deep graph convolutional Gaussian process model for this task, which addresses recent challenges in graph machine learning with...
Journal: ArXiv.org
• July 2022
Medical image registration and segmentation are critical tasks for several clinical procedures. Manual realisation of those tasks is time-consuming and the quality is highly dependent on the level of...
Journal: Nature
• July 2021
The genetic make-up of an individual contributes to the susceptibility and response to viral infection. Although environmental, clinical and social factors have a role in the chance of exposure to SAR...
Journal: Information Systems
• January 2025
This study addresses the increasing threat to Psychological Well-Being (PWB) posed by Depression, Anxiety, and Stress conditions. Machine learning methods have shown promising results for several psyc...
Journal: IET Computer Vision
• January 2024
Autism Spectrum Disorder (ASD) is a chronic condition characterised by impairments in social interaction and communication. Early detection of ASD is desired, and there exists a demand for the develop...
Journal: Frontiers in Immunology
• January 2023
Introduction: The current monkeypox (MPX) outbreak, caused by the monkeypox virus (MPXV), has turned into a global concern, with over 59,000 infection cases and 23 deaths worldwide.
Objectives: Her...
Journal: Artificial Intelligence
• January 2023
The large and still increasing popularity of deep learning clashes with a major limit of neural network architectures, that consists in their lack of capability in providing human-understandable motiv...
Journal: ArXiv.org
• January 2023
Recently, Logic Explained Networks (LENs) have been proposed as explainable-by-design neural models providing logic explanations for their predictions. However, these models have only been applied to...
Journal: Scientific Reports
• January 2022
Advanced age represents one of the major risk factors for Parkinson’s Disease. Recent biomedical studies posit a role for microRNAs, also known to be remodelled during ageing. However, the relationshi...
Journal: medRxiv
• January 2022
Identifying prediagnostic neurodegenerative disease is a critical issue in neurodegenerative disease research, and Alzheimer’s disease (AD) in particular, to identify populations suitable for preventi...
Journal: Pharmaceutics
• January 2022
Tumor-homing peptides (THPs) are small peptides that can recognize and bind cancer cells specifically. To gain a better understanding of THPs’ functional mechanisms, the accurate identification and ch...
Journal: Bioinformatics
• January 2021
Motivation
High-throughput gene expression can be used to address a wide range of fundamental biological problems, but datasets of an appropriate size are often unavailable. Moreover, existing transc...
Journal: Nature Communications
• February 2024
We investigate the potential of graph neural networks for transfer learning and improving molecular property prediction on sparse and expensive to acquire high-fidelity data by leveraging low-fidelity...
Journal: ArXiv.org
• February 2024
Topological deep learning (TDL) is a rapidly
evolving field that uses topological features to understand and design deep learning models. This
paper posits that TDL may complement graph representati...
Journal: 37th Conference on Neural Information Processing Systems (NeurIPS 2023).
• February 2024
Higher-order relations are widespread in nature, with numerous phenomena involving complex interactions that extend beyond simple pairwise connections. As a result, advancements in higher-order proces...
Journal: SciTePress
• February 2024
Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological...
Journal: ArXiv.org
• February 2024
Most of the current hypergraph learning methodologies and benchmarking datasets in the hypergraph realm are obtained by lifting procedures from their graph analogs, leading to overshadowing specific c...
Journal: ArXiv.org
• February 2024
Graphs are widely used to encapsulate a variety of data formats, but real-world networks often involve complex node relations beyond only being pairwise. While hypergraphs and hierarchical graphs have...
Journal: ArXiv.org
• February 2023
Explainable AI (XAI) underwent a recent surge in research on concept extraction, focusing on extracting human-interpretable concepts from Deep Neural Networks. An important challenge facing concept ex...
Journal: ArXiv.org
• February 2022
Structured illumination microscopy (SIM) is an optical super-resolution technique that enables live-cell imaging beyond the diffraction limit. Reconstruction of SIM data is prone to artefacts, which b...
Journal: Proceedings of the IEEE
• February 2022
Compressed sensing (CS) has been playing a key role in accelerating the magnetic resonance imaging (MRI) acquisition process. With the resurgence of artificial intelligence, deep neural networks and C...
Journal: European Neuropsychopharmacology
• February 2022
Variation in the expression level and activity of genes involved in drug disposition and action in tissues of pharmacological importance have been increasingly investigated in patients treated with ps...
Journal: IEEE Transactions on Pattern Analysis and Machine Intelligence
• February 2022
Over the past decade, deep learning has had a revolutionary impact on a broad range of fields such as computer vision and image processing, computational photography, medical imaging and speech and la...
Journal: Nature Computational Science
• December 2024
Structure-based drug design (SBDD) aims to design small-molecule ligands that bind with high affinity and specificity to pre-determined protein targets. Generative SBDD methods leverage structural dat...
Journal: ArXiv.org
• December 2024
Topological signals are variables or features associated with both nodes and edges of a network. Recently, in the context of Topological Machine Learning, great attention has been devoted to signal pr...
Journal: Machine Learning: Science and Technology
• December 2024
The existence of a cosmic background of primordial gravitational waves (PGWB) is a robust prediction of inflationary cosmology, but it has so far evaded discovery. The most promising avenue of its det...
Journal: NAR Genomics and Bioinformatics
• December 2024
The identification of cell types in single-cell RNA sequencing (scRNA-seq) data is a critical task in understanding complex biological systems. Traditional supervised machine learning methods rely on...
Journal: ArXiv.org
• December 2024
There has been a recent surge in transformer-based architectures for learning on graphs, mainly motivated by attention as an effective learning mechanism and the desire to supersede handcrafted operat...
Journal: ArXiv.org
• December 2024
Recent advances in computational modelling of atomic systems, spanning molecules, proteins, and materials, represent them as geometric graphs with atoms embedded as nodes in 3D Euclidean space. In the...
Journal: ArXiv.org
• December 2024
Models trained on semantically related datasets and tasks exhibit comparable inter-sample relations within their latent spaces. We investigate in this study the aggregation of such latent spaces to cr...
Journal: bioRxiv
• December 2024
Tissue homeostasis is maintained by the behaviours of lymphocyte clones responding to antigenic triggers in the face of pathogen, environmental, and developmental challenges. Current methodologies for...
Journal: Proceedings of Machine Learning Research
• December 2023
Graphs are a natural representation of brain activity derived from functional magnetic imaging (fMRI) data. It is well known that clusters of anatomical brain regions, known as functional connectivity...
Journal: Life Sciences
• December 2023
High blood sugar and insulin insensitivity causes the lifelong chronic metabolic disease called Type 2 diabetes (T2D) which has a higher chance of developing different malignancies. T2D with comorbidi...
Journal: ArXiv.org
• December 2023
Many protein design applications, such as binder or enzyme design, require scaffolding a structural motif with high precision. Generative modelling paradigms based on denoising diffusion processes eme...
Journal: ArXiv.org
• December 2023
Recent advances in the development of pre-trained Spanish language models has led to significant progress in many Natural Language Processing (NLP) tasks, such as question answering. However, the lack...
Journal: arxiv Electrical Engineering and Systems Science
• December 2023
Purpose: To develop an efficient dual-domain reconstruction framework for multi-contrast MRI, with the focus on minimising cross-contrast misalignment in both the image and the frequency domains to en...
Journal: arxiv Electrical Engineering and Systems Science
• December 2023
In recent studies on MRI reconstruction, advances have shown significant promise for further accelerating the MRI acquisition. Most state-of-the-art methods require a large amount of fully-sampled dat...
Journal: ArXiv.org
• December 2023
Recently emerged Topological Deep Learning (TDL) methods aim to extend current Graph Neural Networks (GNN) by naturally processing higher-order interactions, going beyond the pairwise relations and lo...
Journal: Healthcare
• December 2022
Good vaccine safety and reliability are essential for successfully countering infectious disease spread. A small but significant number of adverse reactions to COVID-19 vaccines have been reported. He...
Journal: Journal of the American Society of Nephrology
• December 2022
Although still in its infancy, artificial intelligence (AI) analysis of kidney biopsy images is anticipated to become an integral aspect of renal histopathology. As these systems are developed, the fo...
Journal: Information Fusion
• December 2022
Recently, it has become progressively more evident that classic diagnostic labels are unable to accurately and reliably describe the complexity and variability of several clinical phenotypes. This is...
Journal: ArXiv.org
• December 2022
Deploying AI-powered systems requires trustworthy models supporting effective human interactions, going beyond raw prediction accuracy. Concept bottleneck models promote trustworthiness by conditionin...
Journal: Applied Sciences
• December 2021
In this study, Portable Document Format (PDF), Word, Excel, Rich Test format (RTF) and image documents are taken as the research objects to study a static and fast method by which to detect malicious...
Journal: International Journal of Sustainability in Higher Education
• December 2021
Purpose
Approaches to solving sustainability problems require a specific problem-solving mode, encompassing the complexity, fuzziness and interdisciplinary nature of the problem. This paper aims to p...
Journal: Mathematics
• December 2021
Identifying relevant genomic features that can act as prognostic markers for building predictive survival models is one of the central themes in medical research, affecting the future of personalized...
Journal: Schizophrenia
• December 2021
Machine learning (ML), one aspect of artificial intelligence (AI), involves computer algorithms that train themselves. They have been widely applied in the healthcare domain. However, many trained ML...
Journal: Proceedings of Machine Learning Research
• December 2021
Deep learning is increasingly used for decision-making in health applications. However, commonly used deep learning models are deterministic and are unable to provide any estimate of predictive uncert...
Journal: ACM Computing Surveys
• August 2024
Following a fast initial breakthrough in graph based learning, Graph Neural Networks (GNNs) have reached a widespread application in many science and engineering fields, prompting the need for methods...
Journal: arxiv Quantitative Biology
• August 2024
The structural similarities between protein sequences and natural languages have led to parallel advancements in deep learning across both domains. While large language models (LLMs) have achieved muc...
Journal: ArXiv.org
• August 2024
Sequential recommendation is a task to capture hidden user preferences from historical user item interaction data and recommend next items for the user. Significant progress has been made in this doma...
Journal: ArXiv.org
• August 2024
Graph augmentation methods play a crucial role in improving the performance and enhancing generalisation capabilities in Graph Neural Networks (GNNs). Existing graph augmentation methods mainly pertur...
Journal: ArXiv.org
• August 2024
Neural networks often struggle with high-dimensional but small sample-size tabular datasets. One reason is that current weight initialisation methods assume independence between weights, which can be...
Journal: ArXiv.org
• August 2023
We present a novel model Graph Neural Stochastic Differential Equations (Graph Neural SDEs). This technique enhances the Graph Neural Ordinary Differential Equations (Graph Neural ODEs) by embedding r...
Journal: Electronics
• August 2023
The Internet of Medical Things (IoMT) has become an attractive playground to cybercriminals because of its market worth and rapid growth. These devices have limited computational capabilities, which e...
Journal: ArXiv.org
• August 2023
Deep generative models for structure-based drug design (SBDD), where molecule generation is conditioned on a 3D protein pocket, have received considerable interest in recent years. These methods offer...
Journal: ArXiv.org
• August 2023
Scaffold hopping is a drug discovery strategy to generate new chemical entities by modifying the core structure, the \emph{scaffold}, of a known active compound. This approach preserves the essential...
Journal: ArXiv.org
• August 2023
Vaccine hesitancy, or the reluctance to be vaccinated, is a phenomenon that has recently become particularly significant, in conjunction with the vaccination campaign against COVID-19. During the lock...
Journal: AI Open
• August 2023
Stock price prediction is challenging in financial investment, with the AI boom leading to increased interest from researchers. Despite these recent advances, many studies are limited to capturing the...
Journal: Proceedings of Machine Learning Research
• August 2023
Recently, graph neural networks (GNNs) have shown success at learning representations of brain graphs derived from functional magnetic resonance imaging (fMRI) data. The majority of existing GNN metho...
Journal: ArXiv.org
• August 2022
The opaque reasoning of Graph Neural Networks induces a lack of human trust. Existing graph network explainers attempt to address this issue by providing post-hoc explanations, however, they fail to m...
Journal: IEEE Transactions on Neural Networks and Learning Systems
• April 2024
Deep neural networks for graphs (DNNGs) represent an emerging field that studies how the deep learning method can be generalized to graph-structured data. Since graphs are a powerful and flexible tool...
Journal: ArXiv.org
• April 2024
Recent work on neural algorithmic reasoning has demonstrated that graph neural networks (GNNs) could learn to execute classical algorithms. Doing so, however, has always used a recurrent architecture,...
Journal: Faraday Discussions
• April 2024
Protein design and directed evolution have separately contributed enormously to protein engineering. Without being mutually exclusive, the former relies on computation from first principles, while the...
Journal: medRxiv
• April 2024
Electrocardiogram (ECG) signals play a pivotal role in cardiovascular diagnostics, providing essential information on the electrical activity of the heart. However, the inherent noise and limited reso...
Journal: bioRxiv
• April 2024
Engineering enzyme biocatalysts for higher efficiency is key to enabling sustainable, green production processes for the chemical and pharmaceutical industry. This challenge can be tackled from two an...
Journal: Genes
• April 2023
Operons represent one of the leading strategies of gene organization in prokaryotes, having a crucial influence on the regulation of gene expression and on bacterial chromosome organization. However,...
Journal: ArXiv.org
• April 2023
The need for fully human-understandable models is increasingly being recognised as a central theme in AI research. The acceptance of AI models to assist in decision making in sensitive domains will gr...
Journal: Journal of Chemical Information and Modeling
• April 2023
High-throughput screening (HTS), as one of the key techniques in drug discovery, is frequently used to identify promising drug candidates in a largely automated and cost-effective way. One of the nece...
Journal: ArXiv.org
• April 2023
Although neural networks (especially deep neural networks) have achieved \textit{better-than-human} performance in many fields, their real-world deployment is still questionable due to the lack of awa...
Journal: ArXiv.org
• April 2023
This research report introduces ElegansNet, a neural network that mimics real-world neuronal network circuitry, with the goal of better understanding the interplay between connectome topology and deep...
Journal: European Neuropsychopharmacology
• April 2023
To study mental illness and health, in the past researchers have often broken down their complexity into individual subsystems (e.g., genomics, transcriptomics, proteomics, clinical data) and explored...
Journal: ArXiv.org
• April 2023
While instance-level explanation of GNN is a well-studied problem with plenty of approaches being developed, providing a global explanation for the behaviour of a GNN is much less explored, despite it...
Journal: Frontiers in Cardiovascular Medicine
• April 2022
Temporal correlation has been exploited for accelerated dynamic MRI reconstruction. Some methods have modeled inter-frame motion into the reconstruction process to produce temporally aligned image ser...
Journal: bioRxiv
• April 2022
Small molecules have been the preferred modality for drug development and therapeutic interventions. This molecular format presents a number of advantages, e.g. long half-lives and cell permeability,...
Journal: ArXiv.org
• April 2022
Graph representation learning methods have mostly been limited to the modelling of node-wise interactions. Recently, there has been an increased interest in understanding how higher-order structures c...
Journal: ArXiv.org
• April 2022
Research studies have shown no qualms about using data driven deep learning models for downstream tasks in medical image analysis, e.g., anatomy segmentation and lesion detection, disease diagnosis an...
Journal: ArXiv.org
• April 2022
Score-based model research in the last few years has produced state of the art generative models by employing Gaussian denoising score-matching (DSM). However, the Gaussian noise assumption has severa...
Journal: ArXiv.org
In our earlier work, we introduced the concept of Gene Regulatory Neural Network (GRNN), which utilizes natural neural network-like structures inherent in biological cells to perform computing tasks u...
Add New Author
Add New Organization
Add New Degree Type
Add New Field of Study
dd
Upload Your CV
Your CV is used only to auto-fill your profile. You can edit everything next.
Drag & drop your CV or Click to browse
Only PDF supported (Max 5MB)
Analyzing your CV...
Review Details
Please verify the extracted information.
Verification Pending
The extracted information does not match your existing profile data. Do you want to continue?