Low-cost sensor fusion for organic substance classification.
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Convolutional neural networks (CNN) have been shown to provide a good solution for classification problems that utilize data obtained from vibrational spectroscopy. Moreover, CNNs are capable of identification from noisy spectra without the need for additional preprocessing. However, their application in practical spec…
Generates natural product-like compounds using GPT models.
Method learns drug-disease representations for repositioning opportunities.
Model predicts cannabis use disorder risk for adolescents and young adults.
We show that classical thermodynamics has a formulation in terms of Hamilton-Jacobi theory, analogous to mechanics. Even though the thermodynamic variables come in conjugate pairs such as pressure/volume or temperature/entropy, the phase space is odd-dimensional. For a system with n thermodynamic degrees of freedom it …
Gang violence is a severe issue in major cities across the U.S. and recent studies [Patton et al. 2017] have found evidence of social media communications that can be linked to such violence in communities with high rates of exposure to gang activity. In this paper we partnered computer scientists with social work rese…
Machine learning methods have found many applications in Raman spectroscopy, especially for the identification of chemical species. However, almost all of these methods require non-trivial preprocessing such as baseline correction and/or PCA as an essential step. Here we describe our unified solution for the identifica…
Framework allows organizations to collaborate on learning tasks securely.
When confronted with a substance of unknown identity, researchers often perform mass spectrometry on the sample and compare the observed spectrum to a library of previously-collected spectra to identify the molecule. While popular, this approach will fail to identify molecules that are not in the existing library. In r…
Graphs predict reaction conditions for organic chemistry.
This paper develops a mathematical and computational framework for analyzing the expected performance of Bayesian data fusion, or joint statistical inference, within a sensor network. We use variational techniques to obtain the posterior expectation as the optimal fusion rule under a deterministic constraint and a quad…
Paper learns data-driven organ matching rules from observational data.
A simple model economy with locally interacting producers and consumers is introduced. When driven by extremal dynamics, the model self-organizes {\em not} to an attractor state, but to an asymptote, on which the economy has a constant rate of deflation, is critical, and exhibits avalanches of activity with power-law d…
A self-organizing map (SOM) is a type of competitive artificial neural network, which projects the high-dimensional input space of the training samples into a low-dimensional space with the topology relations preserved. This makes SOMs supportive of organizing and visualizing complex data sets and have been pervasively…
BLOB combines organic and bandit signals for better user interest estimation.
Reaction prediction remains one of the major challenges for organic chemistry, and is a pre-requisite for efficient synthetic planning. It is desirable to develop algorithms that, like humans, "learn" from being exposed to examples of the application of the rules of organic chemistry. We explore the use of neural netwo…
The kind of realized mission inflows the sensitivity to risk. Among other factors, the risk results from decision about liquid assets investment level and liquid assets financing. The higher the risk exposure, the higher the level of liquid assets. If the specific risk exposure is smaller, the more aggressive could be …
Workplace injuries result in substantial human and financial losses. As reported by the International Labour Organization (ILO), there are more than 374 million work-related injuries reported every year. In this study, we investigate the problem of injury risk prediction and prevention in a work environment. While inju…
In line with the recent research and debates about econophysics and financial economics, this article discusses on usual misunderstandings between the two disciplines in terms of modelling and basic hypotheses. In the literature devoted to econophysics, the methodology used by financial economists is frequently conside…
Framework identifies comorbidities for frequent ED and inpatient visits.
New modeling approach for self-organizing complex systems.
In this paper, we build an organization of high-dimensional datasets that cannot be cleanly embedded into a low-dimensional representation due to missing entries and a subset of the features being irrelevant to modeling functions of interest. Our algorithm begins by defining coarse neighborhoods of the points and defin…
The way developers collaborate inside and particularly across teams often escapes management's attention, despite a formal organization with designated teams being defined. Observability of the actual, organically formed engineering structure provides decision makers invaluable additional tools to manage their talent p…
Study characterizes bladder motion using dynamic MRI and statistical analysis.
We present a detailed analysis of the self-organization phenomenon in which the stylized facts originate from finite size effects with respect to the number of agents considered and disappear in the limit of an infinite population. By introducing the possibility that agents can enter or leave the market depending on th…
In self-organizing networks, topology and dynamics coevolve in a continuous feedback, without exogenous driving. The World Trade Network (WTN) is one of the few empirically well documented examples of self-organizing networks: its topology strongly depends on the GDP of world countries, which in turn depends on the str…
TorsionNet uses reinforcement learning to efficiently generate conformers of flexible molecules.
This study investigates self-organizing dynamics in a stochastic exponential DAM model using Temporal Complexity.
hyperSBINN improves drug cardiosafety assessment by efficiently modeling cardiac action potentials.
Unified view of SOMs and SNE from a common framework.
New trading model uses self-organization for real-world complexity.
The self-organizing methods were used for the investigation of financial market. As an example we consider data time-series of Dow Jones index for the years 2002-2003 (R. Mantegna, cond-mat/9802256). In order to reveal new structures in stock market behavior of the companies drawing up Dow Jones index we apply SOM (Sel…
In this paper we present a method for simultaneously segmenting brain tumors and an extensive set of organs-at-risk for radiation therapy planning of glioblastomas. The method combines a contrast-adaptive generative model for whole-brain segmentation with a new spatial regularization model of tumor shape using convolut…
The burgeoning need for kidney transplantation mandates immediate attention. Mismatch of deceased donor-recipient kidney leads to post-transplant death. To ensure ideal kidney donor-recipient match and minimize post-transplant deaths, the paper develops a prediction model that identifies factors that determine the prob…
A methodology is developed to identify, as units of study, each decrease in the value of a stock from a given maximum price level. A critical level in the amount of price declines is found to separate a segment operating under a random walk from a segment operating under a power law. This level is interpreted as a poin…
How do organisms recognize their environment by acquiring knowledge about the world, and what actions do they take based on this knowledge? This article examines hypotheses about organisms' adaptation to the environment from machine learning, information-theoretic, and thermodynamic perspectives. We start with construc…
SORSCNs improve nonstationary data modeling by self-organizing and adjusting network parameters.
A ML-based method reconstructs 3D organ doses from 2D radiographs for pediatric abdominal radiotherapy.
We look at a collection of conjectures with the unifying message that smaller social systems, tend to be less complex and can be aligned better, towards fulfilling their intended objectives. We touch upon a framework, referred to as the four pronged approach that can aid the analysis of social systems. The four prongs …
Real-life control tasks involve matters of various substances---rigid or soft bodies, liquid, gas---each with distinct physical behaviors. This poses challenges to traditional rigid-body physics engines. Particle-based simulators have been developed to model the dynamics of these complex scenes; however, relying on app…
Video applications and analytics are routinely projected as a stressing and significant service of the Nationwide Public Safety Broadband Network. As part of a NIST PSCR funded effort, the New Jersey Office of Homeland Security and Preparedness and MIT Lincoln Laboratory have been developing a computer vision dataset o…
DNA rearrangement processes recombine gene segments that are organized on the chromosome in a variety of ways. The segments can overlap, interleave or one may be a subsegment of another. We use directed graphs to represent segment organizations on a given locus where contigs containing rearranged segments represent ver…
This paper proposes an organized generalization of Newman and Girvan's modularity measure for graph clustering. Optimized via a deterministic annealing scheme, this measure produces topologically ordered graph clusterings that lead to faithful and readable graph representations based on clustering induced graphs. Topog…
A new method for optimizing stakes in a single event with multiple outcomes.
We study the collective behavior of interacting agents in a simple model of market economics originally introduced by Nørrelykke and Bak. A general theoretical framework for interacting traders on an arbitrary network is presented, with the interaction consisting of buying (namely, consumption) and selling (namely, pro…
Most animals possess the ability to actuate a vast diversity of movements, ostensibly constrained only by morphology and physics. In practice, however, a frequent assumption in behavioral science is that most of an animal's activities can be described in terms of a small set of stereotyped motifs. Here we introduce a m…
We consider the analysis of high dimensional data given in the form of a matrix with columns consisting of observations and rows consisting of features. Often the data is such that the observations do not reside on a regular grid, and the given order of the features is arbitrary and does not convey a notion of locality…