This abstract reviews recent methods for predicting protein-ligand binding affinity.
problem Predicting protein-ligand binding affinity for various applications in life sciences.
method Traditional and deep learning models for binding affinity prediction.
result Improved predictive performance of AI-driven models.
AI speeds up hydrogen fuel cell stack development time.
problem Reducing time to market for hydrogen fuel cell stacks.
method Generative Adversarial Networks for data augmentation.
result Reduced testing time from 1000 hours to 3 hours.
The 2018 Grand Challenge targets the problem of accurate predictions on data streams produced by automatic identification system (AIS) equipment, describing naval traffic. This paper reports the technical details of a custom solution, which exposes multiple tuning parameters, making its configurability one of the main …
Reinforcement Learning AI commonly uses reward/penalty signals that are objective and explicit in an environment -- e.g. game score, completion time, etc. -- in order to learn the optimal strategy for task performance. However, Human-AI interaction for such AI agents should include additional reinforcement that is impl…
Artificial intelligence (AI) will pave the way to a new era in medicine. However, currently available AI systems do not interact with a patient, e.g., for anamnesis, and thus are only used by the physicians for predictions in diagnosis or prognosis. However, these systems are widely used, e.g., in diabetes or cancer pr…
CT improves neural network performance on cell complex data.
problem Improving predictive performance of neural networks on complex data.
method Introducing the Cellular Transformer (CT) that generalizes graph-based transformers to cell complexes.
result CT achieves state-of-the-art performance on cell complex datasets without complex enhancements.
Hypernom is a virtual reality game. The cells of a regular 4D polytope are radially projected to S^3, the sphere in 4D space, then stereographically projected to 3D space where they are viewed in the headset. The orientation of the headset is given by an element of the group SO(3), which is also a space that is double …
New metric scores perturbations across populations, not cells, improving model comparison.
problem Single-cell perturbation data overlaps, making per-cell accuracy unreliable.
method Average per-cell probability vectors over all cells of a perturbation to form a population profile and rank candidate perturbations.
result Classifier Discrimination Score (CDS) identifies true perturbation more reliably than pseudobulk-based scores.
The paper integrates AI and expert knowledge to optimize radiotherapy decisions.
problem Optimizing radiation dose planning considering patient-specific information.
method Integrating Gaussian process models with deep neural networks to quantify uncertainty.
result Improves AI model performance and guides clinical decision making.
We study the problem of designing AI agents that can robustly cooperate with people in human-machine partnerships. Our work is inspired by real-life scenarios in which an AI agent, e.g., a virtual assistant, has to cooperate with new users after its deployment. We model this problem via a parametric MDP framework where…
ALPODS AI diagnoses high-dimensional biomedical data with human-understandable explanations.
problem AI decisions in high-dimensional biomedical data are not explainable to humans.
method ALPODS method classifies data based on clusters and generates fuzzy reasoning rules.
result ALPODS provides understandable explanations for AI diagnoses.
A machine learning environment for detecting autonomous vehicle corner cases.
problem Testing autonomous driving software in the real world is difficult.
method Connecting CARLA simulation software to TensorFlow and custom AI client software.
result The system can identify situations where AI software fails to understand the scenario.
Deep learning identifies transcriptomic patterns and cell types associated with SARS-CoV-2 infection and COVID-19 severity.
problem Understanding how SARS-CoV-2 varies in infecting and causing severe COVID-19.
method Developed a new approach to generating self-supervised edge features, using Graph Attention Networks (GAT) and Set Transformer.
result Achieved state-of-the-art performance in predicting disease state of individual cells using single-cell RNA sequencing data.
In future cell-free (or cell-less) wireless networks, a large number of devices in a geographical area will be served simultaneously in non-orthogonal multiple access scenarios by a large number of distributed access points (APs), which coordinate with a centralized processing pool. For such a centralized cell-free net…
There are various algorithms and methodologies used for automated screening of cervical cancer by segmenting and classifying cervical cancer cells into different categories. This study presents a critical review of different research papers published that integrated AI methods in screening cervical cancer via different…
AI system analyzes financial analyst recommendations and track records for portfolio construction.
problem Human PMs rely on analyst recommendations and track records for portfolio decisions.
method Develops AI-based Recommender Systems to replicate analyst conviction and track records.
result AI can improve portfolio construction by integrating analyst conviction and track records.
New perspective on Heegaard splittings using square complexes and combinatorial measurements.
problem Measuring obstructions to Heegaard splittings in 3-manifolds.
method Square complexes and Guirardel's core, augmented Heegaard diagrams.
result Augmented Heegaard diagrams provide a new way to describe Heegaard splittings with desirable properties.
The paper solves optimal bounds for separating data points in high dimensions.
problem Correcting AI errors and analyzing vulnerabilities in high-dimensional data.
method General stochastic separation theorems with optimal probability estimates.
result Explicit and optimal estimates of separation probabilities for important classes of distributions.
AI framework uses multi-omics data to personalize cancer treatment suggestions.
problem Leveraging AI for personalized cancer treatment based on complex patient characteristics.
method Modular machine learning framework trained on diverse multi-omics technologies.
result Superior performance in personalized counterfactual treatment suggestions.
This paper proposes a new hashing-based KNN technique for faster nearest neighbor selection.
problem Slowness of KNN in big datasets due to searching entire dataset.
method Divide data space into subcells, use hashing to map data points, and select nearest neighbors layer by layer.
result The proposed technique offers competitive performance with KNN and KDtree while significantly improving time efficiency.
Deep learning models are growing, posing new mathematical challenges.
problem Mathematical challenges in training, inference, generalization, and optimization of deep models.
method Formal mathematical analysis and communication with mathematicians, statisticians, and computer scientists.
result A set of new mathematical challenges in deep learning.
Paper shows mapping class group-equivariant Teichmüller space deformation to Thurston spine.
problem Mapping Teichmüller space to Thurston spine.
method Equivariant deformation retraction of Teichmüller space onto a cell complex.
result Thurston spine contains points corresponding to hyperbolic surfaces with shortest geodesics forming polygons.
New method uses Rashomon sets to improve Bayesian inference in factorial designs.
problem Combustion of model uncertainty in factorial designs leads to multimodal posterior and convergence issues.
method Rashomon-seeded annealing, integrating high-performing models as warm start for AIS.
result Restores full posterior inference without exhaustive enumeration of model space.
TabPFN-2.5 boosts tabular AI performance, especially for large datasets.
problem Improving tabular AI models for large datasets and complex feature sets.
method Advanced tabular foundation model with data augmentation and distillation techniques.
result TabPFN-2.5 outperforms tuned tree-based models and AutoGluon 1.4 on benchmark datasets.
AI learns to learn sequentially without forgetting.
problem Preventing catastrophic forgetting in machine learning models.
method Meta-learning a neuromodulatory activation-gating function to control selective activation in deep neural networks.
result State-of-the-art continual learning performance with 600 classes (9,000 updates).
Neuro-symbolic traders suppress market prices, highlighting risks to stability.
problem Understanding and quantifying the influence of AI-generated financial models on markets.
method Developed virtual neuro-symbolic traders using deep generative models and tested them in a virtual market.
result Neuro-symbolic traders suppress market prices compared to historical data, indicating potential market instability.
Kernel testing compares cell states in single-cell data.
problem Comparing non-linear cell states in single-cell data.
method Kernel-based testing framework for non-linear distribution comparison.
result Identifies subtle population variations in cell states.
Cell detection and cell type classification from biomedical images play an important role for high-throughput imaging and various clinical application. While classification of single cell sample can be performed with standard computer vision and machine learning methods, analysis of multi-label samples (region containi…
Forest Fire Clustering discovers cell types from single-cell data.
problem Discovering cell types from large-scale single-cell sequencing data.
method Iterative label propagation and parallelized Monte Carlo simulation.
result Forest Fire Clustering outperforms state-of-the-art methods on diverse benchmarks.
Proposes CCCVAE for better single-cell clustering with cell-cell communication.
problem Improving single-cell RNA sequencing clustering by incorporating cell-cell communication.
method Integrates cell-cell communication into a variational autoencoder framework.
result Empirical results show CCCVAE outperforms standard VAEs in clustering performance.
Matching cells over time has long been the most difficult step in cell tracking. In this paper, we approach this problem by recasting it as a classification problem. We construct a feature set for each cell, and compute a feature difference vector between a cell in the current frame and a cell in a previous frame. Then…
Improved GPLVM model for single-cell RNA-seq data.
problem Lack of effective scalable models for clustering cell types in large-scale single-cell RNA-seq data.
method Introduces amortized stochastic variational Bayesian GPLVM (BGPLVM) tailored for single-cell RNA-seq.
result Matches the performance of scVI on synthetic and real-world datasets and reveals more interpretable latent structures.
The study identifies all possible vector field structures on specific 2D shapes.
problem Optimal discrete gradient vector fields on surfaces with 1-2 critical cells.
method Analysis of discrete vector fields on 2D shapes with minimal critical cells.
result All possible structures of discrete Morse functions on specified shapes.
New model identifies cell-specific genes for cancer prognosis.
problem No statistical model to integrate multiscale cancer data.
method Bayesian generalized promotion time cure models (GPTCMs).
result Improves cancer prognosis by identifying cell-specific genes.
MarkerMap selects key genes for cell type analysis in single-cell RNA-seq.
problem Selecting informative genes from large single-cell RNA-seq datasets is challenging and computationally intensive.
method MarkerMap is a generative model that identifies minimal gene sets explaining cell type variability.
result MarkerMap outperforms existing methods in both supervised and unsupervised marker selection.
Proposes CXNs for neural network computations on cell complexes.
problem Performing neural network computations on complex topological spaces.
method Introduces a message passing scheme and a unified encoder-decoder framework for cell complexes.
result Generalizes message passing to cell complexes and provides a cell2vec representation.
New virtualized Δ-move simplifies virtual knots and links.
problem Simplifying virtual knots and links.
method Introducing a new local deformation called the virtualized Δ-move.
result Virtualized Δ-move is an unknotting operation for virtual knots.
In recent years, the advances in single-cell RNA-seq techniques have enabled us to perform large-scale transcriptomic profiling at single-cell resolution in a high-throughput manner. Unsupervised learning such as data clustering has become the central component to identify and characterize novel cell types and gene exp…
Meta-DRL improves resource allocation in O-RAN networks.
problem Dynamic resource allocation in O-RAN networks.
method Meta Deep Reinforcement Learning (Meta-DRL) inspired by MAML.
result 19.8% improvement in network management performance.
Virtual index cocycles reformulate virtual link invariants.
problem No specific problem stated; focuses on reformulation.
method Using virtual index cocycles to reformulate invariants.
result Unified reformulation of virtual link invariants.
Cataloging the neuronal cell types that comprise circuitry of individual brain regions is a major goal of modern neuroscience and the BRAIN initiative. Single-cell RNA sequencing can now be used to measure the gene expression profiles of individual neurons and to categorize neurons based on their gene expression profil…
The process of morphogenesis, which can be defined as an evolution of the form of an organism, is one of the most intriguing mysteries in the life sciences. It is clear, that gene expression patterns cannot explain the development of the precise geometry of an organism and its parts in space. Here, we suggest a set of …
The paper studies strict equivalence in multi-virtual linkoids with new invariants.
problem Understanding strict equivalence in multi-virtual linkoids.
method Utilizing multi-virtual knot theory, defining strict virtual linkoids, and studying invariants.
result New invariants for strict virtual linkoids are defined.
Hippocampal dentate granule cells are among the few neuronal cell types generated throughout adult life in mammals. In the normal brain, new granule cells are generated from progenitors in the subgranular zone and integrate in a typical fashion. During the development of epilepsy, granule cell integration is profoundly…
NESS improves neighbor embedding for smooth cell-state transitions in single-cell data.
problem Challenges in extracting smooth, low-dimensional representations from noisy single-cell data.
method Builds on PCS framework to develop NESS, a stable machine learning approach.
result NESS consistently yields useful biological insights across diverse single-cell datasets.
We develop a stochastic whole-brain and body simulator of the nematode roundworm Caenorhabditis elegans (C. elegans) and show that it is sufficiently regularizing to allow imputation of latent membrane potentials from partial calcium fluorescence imaging observations. This is the first attempt we know of to "complete t…
The study enumerates virtual quandles up to isomorphism.
problem Classifying virtual quandles up to isomorphism.
method Computer search and classification based on conjugacy class structures of rack automorphism groups.
result Classifications of virtual racks and quandles up to order 8.
New virtual version of Thompson's group created to handle virtual knots.
problem Creating a mathematical framework for virtual knots.
method Defining a virtual version of Thompson's group and proving its properties.
result Any virtual link can be constructed from an element of the new virtual Thompson's group.