Related papers: Phase Transition Pathway Sampling via Swarm Intell…
Chemical reactions are often associated with an energy barrier along the reaction pathway which hinders the spontaneity of the reaction. Changing the energy barrier along the reaction pathway allows one to modulate the performance of a…
We establish phase transitions for continuum Delaunay multi-type particle systems (continuum Potts or Widom-Rowlinson models) with a repulsive interaction between particles of different types. Our interaction potential depends solely on the…
We present an asymptotically exact analysis of the problem of detecting communities in sparse random networks. Our results are also applicable to detection of functional modules, partitions, and colorings in noisy planted models. Using a…
Where causal SNPs (single nucleotide polymorphisms) tend to accumulate within biological pathways, the incorporation of prior pathways information into a statistical model is expected to increase the power to detect true associations in a…
Sampled structure sequences obtained, for instance, from real-time reactivity explorations or first-principles molecular dynamics simulations contain valuable information about chemical reactivity. Eventually, such sequences allow for the…
The goal of this paper is to propose novel strategies for adaptive learning of signals defined over graphs, which are observed over a (randomly time-varying) subset of vertices. We recast two classical adaptive algorithms in the graph…
We develop a method to efficiently construct phase diagrams using machine learning. Uncertainty sampling (US) in active learning is utilized to intensively sample around phase boundaries. Here, we demonstrate constructions of three known…
We present a fast and accurate method to select an optimal set of parameters in semi-analytic models of galaxy formation and evolution (SAMs). Our approach compares the results of a model against a set of observables applying a stochastic…
Skateboards offer a compact and efficient means of transportation as a type of personal mobility device. However, controlling them with legged robots poses several challenges for policy learning due to perception-driven interactions and…
Natural systems often exhibit chaotic behavior in their space-time evolution. Systems transiting between chaos and order manifest a potential to compute, as shown with cellular automata and artificial neural networks. We demonstrate that…
We present the design of a new large scale orchestration layer for accelerators. Our system, Pathways, is explicitly designed to enable exploration of new systems and ML research ideas, while retaining state of the art performance for…
3D Scene Graphs integrate both metric and semantic information, yet their structure remains underutilized for improving path planning efficiency and interpretability. In this work, we present S-Path, a situationally-aware path planner that…
We consider online change detection of high dimensional data streams with sparse changes, where only a subset of data streams can be observed at each sensing time point due to limited sensing capacities. On the one hand, the detection…
State-space models (SSMs) are a powerful statistical tool for modelling time-varying systems via a latent state. In these models, the latent state is never directly observed. Instead, a sequence of observations related to the state is…
The focus of this work is to present a novel methodology for optimal distribution of a swarm formation on either side of an obstacle, when evading the obstacle, to avoid overpopulation on the sides to reduce the agents' waiting delays,…
Transition Path Theory (TPT) provides a rigorous framework to investigate the dynamics of rare thermally activated transitions. In this theory, a central role is played by the forward committor function q^+(x), which provides the ideal…
TAPAS is a novel adaptive sampling method for the softmax model. It uses a two pass sampling strategy where the examples used to approximate the gradient of the partition function are first sampled according to a squashed population…
The increasing complexity of software systems has led to a surge in cybersecurity vulnerabilities, necessitating efficient and scalable solutions for vulnerability assessment. However, the deployment of large pre-trained models in…
GraphBLAS is an interface for implementing graph algorithms. Algorithms implemented using the GraphBLAS interface are cast in terms of linear algebra-like operations. However, many graph algorithms are canonically described in terms of…
The pathway is a biological term that refers to a series of interactions between molecules in a cell that causes a certain product or a change in the cell. Pathway analysis is a powerful method for gene expression analysis. Through pathway…