A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.
Spectral algorithms solve optimal community detection and related problems.
STNN-DDI predicts drug interactions using substructure-aware neural networks.
Molecule optimization is about generating molecule with more desirable properties based on an input molecule . The state-of-the-art approaches partition the molecules into a large set of substructures and grow the new molecule structure by iteratively predicting which substructure from to add. However, s…
DHGAK aligns substructures for better graph kernel performance.
The ability to detect and count certain substructures in graphs is important for solving many tasks on graph-structured data, especially in the contexts of computational chemistry and biology as well as social network analysis. Inspired by this, we propose to study the expressive power of graph neural networks (GNNs) v…
Graph Substructure Networks (GSN) improves GNN expressivity by counting subgraph isomorphisms.
The subtle and unique imprint of dark matter substructure on extended arcs in strong lensing systems contains a wealth of information about the properties and distribution of dark matter on small scales and, consequently, about the underlying particle physics. However, teasing out this effect poses a significant challe…
Chemical structure elucidation is a serious bottleneck in analytical chemistry today. We address the problem of identifying an unknown chemical threat given its mass spectrum and its chemical formula, a task which might take well trained chemists several days to complete. Given a chemical formula, there could be over a…
We analyze geometrical structures necessary to represent bulk and surface interactions of standard and substructural nature in complex bodies. Our attention is mainly focused on the influence of diffuse interfaces on sharp discontinuity surfaces. In analyzing this phenomenon, we prove the covariance of surface balances…
In a previous article, we defined a very flexible notion of suborbifold and characterized those suborbifolds which can arise as the images of orbifold embeddings. In particular, suborbifolds are images of orbifold embeddings precisely when they are saturated and split. This article addresses the problem of orbifold str…
BERT learns molecular substructures for chemistry problems.
Exact partitioning of high-order planted models achieved through convex optimization.
The paper uses VGG-19 for plant species classification from leaf images.
Drug discovery aims to find novel compounds with specified chemical property profiles. In terms of generative modeling, the goal is to learn to sample molecules in the intersection of multiple property constraints. This task becomes increasingly challenging when there are many property constraints. We propose to offset…
New insights link diverse statistical problems via secret leakage planted clique.
Tackles the computational hardness of HPC detection, conjecturing equivalence to PC detection.
The recent state-of-the-art deep learning methods have significantly improved brain tumor segmentation. However, fully supervised training requires a large amount of manually labeled masks, which is highly time-consuming and needs domain expertise. Weakly supervised learning with scribbles provides a good trade-off bet…
Plants monitor their surrounding environment and control their physiological functions by producing an electrical response. We recorded electrical signals from different plants by exposing them to Sodium Chloride (NaCl), Ozone (O3) and Sulfuric Acid (H2SO4) under laboratory conditions. After applying pre-processing tec…
Non-invasive detection of cardiovascular disorders from radiology scans requires quantitative image analysis of the heart and its substructures. There are well-established measurements that radiologists use for diseases assessment such as ejection fraction, volume of four chambers, and myocardium mass. These measuremen…
Geo2DR learns graph representations using substructure patterns.
Study connects database alignment and planted matching using Gaussian features.
SFP prunes ID features to improve OOD generalization without domain data.
Chemical plants are complex and dynamical systems consisting of many components for manipulation and sensing, whose state transitions depend on various factors such as time, disturbance, and operation procedures. For the purpose of supporting human operators of chemical plants, we are developing an AI system that can s…
Hydropower plants are one of the most convenient option for power generation, as they generate energy exploiting a renewable source, they have relatively low operating and maintenance costs, and they may be used to provide ancillary services, exploiting the large reservoirs of available water. The recent advances in In…
An important question that discrete approaches to quantum gravity must address is how continuum features of spacetime can be recovered from the discrete substructure. Here, we examine this question within the causal set approach to quantum gravity, where the substructure replacing the spacetime continuum is a locally f…
We consider two closely related problems: planted clustering and submatrix localization. The planted clustering problem assumes that a random graph is generated based on some underlying clusters of the nodes; the task is to recover these clusters given the graph. The submatrix localization problem concerns locating hid…
Random Planted Forest interprets tree-based models by keeping some splits, leading to more interpretable predictions.
Understanding the adaptation process of plants to drought stress is essential in improving management practices, breeding strategies as well as engineering viable crops for a sustainable agriculture in the coming decades. Hyper-spectral imaging provides a particularly promising approach to gain such understanding since…
The problem of accelerating drug discovery relies heavily on automatic tools to optimize precursor molecules to afford them with better biochemical properties. Our work in this paper substantially extends prior state-of-the-art on graph-to-graph translation methods for molecular optimization. In particular, we realize …
We consider the problem of online learning of optimal control for repeatedly operated systems in the presence of parametric uncertainty. During each round of operation, environment selects system parameters according to a fixed but unknown probability distribution. These parameters govern the dynamics of a plant. An ag…
Study information limits for community detection in sub-hypergraphs.
Graph clustering involves the task of dividing nodes into clusters, so that the edge density is higher within clusters as opposed to across clusters. A natural, classic and popular statistical setting for evaluating solutions to this problem is the stochastic block model, also referred to as the planted partition model…
Power plant is a complex and nonstationary system for which the traditional machine learning modeling approaches fall short of expectations. The ensemble-based online learning methods provide an effective way to continuously learn from the dynamic environment and autonomously update models to respond to environmental c…
Study compares GNNs and classical molecular featurisations for molecular property and cliff prediction.
Paper explores limits of high-order clustering with planted structures.
Develops a new Gaussian process method for efficient Bayesian inference of plant root parameters in the Richards equation.
Interpretable neural network for plant traits and species identification.
This paper develops several average-case reduction techniques to show new hardness results for three central high-dimensional statistics problems, implying a statistical-computational gap induced by robustness, a detection-recovery gap and a universality principle for these gaps. A main feature of our approach is to ma…
Fault detection in industrial plants is a hot research area as more and more sensor data are being collected throughout the industrial process. Automatic data-driven approaches are widely needed and seen as a promising area of investment. This paper proposes an effective machine learning algorithm to predict industrial…
New method uses contrastively trained GNNs for more reliable graph model evaluation.
New method unfolds distribution moments directly from data without binning.
The paper uses a graph autoencoder to learn unbiased plant-pollinator interaction embeddings.
Jets from boosted heavy particles have a typical angular scale which can be used to distinguish them from QCD jets. We introduce a machine learning strategy for jet substructure analysis using a spectral function on the angular scale. The angular spectrum allows us to scan energy deposits over the angle between a pair …
We introduce the notion of left (and right) quasi-Loday algebroids and a "universal space" for them, called a left (right) omni-Loday algebroid, in such a way that Lie algebroids, omni-Lie algebras and omni-Loday algebroids are particular substructures.
Properties of data are frequently seen to vary depending on the sampled situations, which usually changes along a time evolution or owing to environmental effects. One way to analyze such data is to find invariances, or representative features kept constant over changes. The aim of this paper is to identify one such fe…
Study shows it's impossible to count communities without finding them.
Experimental corn hybrids are created in plant breeding programs by crossing two parents, so-called inbred and tester, together. Identification of best parent combinations for crossing is challenging since the total number of possible cross combinations of parents is large and it is impractical to test all possible cro…
We adopted an approach based on an LSTM neural network to monitor and detect faults in industrial multivariate time series data. To validate the approach we created a Modelica model of part of a real gasoil plant. By introducing hacks into the logic of the Modelica model, we were able to generate both the roots and cau…