Method scales up ML science by measuring multiple molecules at once.
arXiv research
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Proposes using entity embedding vectors to improve Gaussian Process models for knowledge transfer across cell lines.
Improved scaffold generation for protein motifs using SE(3) flow matching.
Bayesian optimization of antibodies learns from immune system evolution.
The polypharmacy side effect prediction problem considers cases in which two drugs taken individually do not result in a particular side effect; however, when the two drugs are taken in combination, the side effect manifests. In this work, we demonstrate that multi-relational knowledge graph completion achieves state-o…
Active learning speeds up antibody affinity prediction.
Synthetic lethality (SL) is a promising concept for novel discovery of anti-cancer drug targets. However, wet-lab experiments for detecting SLs are faced with various challenges, such as high cost, low consistency across platforms or cell lines. Therefore, computational prediction methods are needed to address these is…
A new algorithm optimizes multiple molecular properties efficiently.
P3BO optimizes biological sequence design by combining multiple methods.
PropEn uses matching to create a larger dataset for efficient design optimization.
CoDrug uses KDE to create valid prediction sets for drug molecules under covariate shift.
We introduce SLM Lab, a software framework for reproducible reinforcement learning (RL) research. SLM Lab implements a number of popular RL algorithms, provides synchronous and asynchronous parallel experiment execution, hyperparameter search, and result analysis. RL algorithms in SLM Lab are implemented in a modular w…
Derives equilibrium law for Plateau borders in wet soap films and foams.
Traditionally, psychophysical experiments are conducted by repeated measurements on a few well-trained participants under well-controlled conditions, often resulting in, if done properly, high quality data. In recent years, however, crowdsourcing platforms are becoming increasingly popular means of data collection, mea…
It is shown that the hyperspace of all nonempty closed subsets $\Cld_{AW}(X)$ of a separable metric space endowed with the Attouch-Wets topology is homeomorphic to a separable Hilbert space if and only if the completion of is proper, locally connected and contains no bounded connected component, is topologi…
Recent success in deep learning has generated immense interest among practitioners and students, inspiring many to learn about this new technology. While visual and interactive approaches have been successfully developed to help people more easily learn deep learning, most existing tools focus on simpler models. In thi…
Study shows reverberant phase is not essential for weakly-supervised dereverberation.
Bayesian nonparametric LABS model adapts to function smoothness in Besov spaces.
PANDA predicts protein binding affinity changes from sequences, outperforming existing methods.
New topologies for star-shaped sets without boundedness.
In this paper, we present a new task that investigates how people interact with and make judgments about towers of blocks. In Experiment~1, participants in the lab solved a series of problems in which they had to re-configure three blocks from an initial to a final configuration. We recorded whether they used one hand …
Detection of protein-protein interactions (PPIs) plays a vital role in molecular biology. Particularly, infections are caused by the interactions of host and pathogen proteins. It is important to identify host-pathogen interactions (HPIs) to discover new drugs to counter infectious diseases. Conventional wet lab PPI pr…
This study measures price risk aversion using indirect utility functions in a lab experiment.
Smoothness of collapsed regions in soap films is proven, indicating wetted singularities.
Efficiently optimize GPs by reusing candidate solutions multiple times.
The availability of a large amount of electronic health records (EHR) provides huge opportunities to improve health care service by mining these data. One important application is clinical endpoint prediction, which aims to predict whether a disease, a symptom or an abnormal lab test will happen in the future according…
Laboratory testing and medication prescription are two of the most important routines in daily clinical practice. Developing an artificial intelligence system that can automatically make lab test imputations and medication recommendations can save costs on potentially redundant lab tests and inform physicians of a more…
This paper uses bandit theory and Thompson Sampling to optimize protein sequences.
Introduces an artificial cyber lab to test and identify cyber resilience measures.
We analyze a controlled price formation experiment in the laboratory that shows evidence for bubbles. We calibrate two models that demonstrate with high statistical significance that these laboratory bubbles have a tendency to grow faster than exponential due to positive feedback. We show that the positive feedback ope…
We show that some pieces of cylinders bounded by two parallel straight-lines bifurcate in a family of periodic non-rotational surfaces with constant mean curvature and with the same boundary conditions. These cylinders are initial interfaces in a problem of microscale range modeling the morphologies that adopt a liquid…
Enhanced kernel ridgeless regression improves performance with LAB RBF kernels.
The evolution of drug-resistant microbial species is one of the major challenges to global health. The development of new antimicrobial treatments such as antimicrobial peptides needs to be accelerated to combat this threat. However, the discovery of novel antimicrobial peptides is hampered by low-throughput biochemica…
We study the stability of capillary hypersurfaces in a unit Euclidean ball. It is proved that if the mass center of the generalized body enclosed by the immersed capillary hypersurface and the wetted part of the sphere is located at the origin, then the hypersurface is unstable. An immediate result is that all known ex…
A new method, Count-MORL, improves offline reinforcement learning by using state-action frequency.
New research shows machine-assisted decisions can still be unfair even when the algorithm is fair.
Predicting registration error can be useful for evaluation of registration procedures, which is important for the adoption of registration techniques in the clinic. In addition, quantitative error prediction can be helpful in improving the registration quality. The task of predicting registration error is demanding due…
Robotic clothing manipulation improved with fashion image analysis techniques.
In this paper we first review the covering space method with constrained BV functions for solving the classical Plateau's problem. Next, we carefully analyze some interesting examples of soap films compatible with the covering space method: in particular, the case of a soap film only partially wetting a space curve, a …
SwiGAN generates drought scenarios for climate risk management.
Paper uses transfer learning and Bayesian optimization to reduce DNA sequence design experiments.
We present a modern scalable reinforcement learning agent called SEED (Scalable, Efficient Deep-RL). By effectively utilizing modern accelerators, we show that it is not only possible to train on millions of frames per second but also to lower the cost of experiments compared to current methods. We achieve this with a …
In the present work we are going to give a formal exposition of the ribbon graphs topic based on notes of Labourie \cite{Lab}, since is difficult to find as such in the literature.
We study the problem of detecting adverse drug events in electronic healthcare records. The challenge in this work is to aggregate heterogeneous data types involving diagnosis codes, drug codes, as well as lab measurements. An earlier framework proposed for the same problem demonstrated promising predictive performance…
Laboratory test results are an important and generally high dimensional component of a patient's Electronic Health Record (EHR). We train embedding representations (via Word2Vec and GloVe) for LOINC codes of laboratory tests from the EHRs of about 80,000 patients at a cancer center. To include information about lab tes…
Flatland is a simple, lightweight environment for fast prototyping and testing of reinforcement learning agents. It is of lower complexity compared to similar 3D platforms (e.g. DeepMind Lab or VizDoom), but emulates physical properties of the real world, such as continuity, multi-modal partially-observable states with…
Deep RL drone trained to compete against classical path planning in drone racing.
Algorithm estimates COVID-19 cases from phone calls.