International Business Machines Corporation

Agency for Science, Technology and Research

Enara C Vijil

Kuntal Dey

Seema Nagar

Saritha Arunkumar

Nizar Lethif

Sudhanshu Shekhar Singh

Srikanth Govindaraj Tamilselvam

Abhijit Mishra

Payel Das

Dipyaman Banerjee

Inkit Padhi

Kahini Wadhawan

James L Hedrick

Vijay Ekambaram

Mudhakar Srivatsa

Yi Yan Yang

Pin-Yu Chen

David C Gondek

Pang Kern Jeremy Tan

Richard D Lawrence

Jingrui He

Igor Melnyk

Samuel Chung Hoffman

Flaviu Cipcigan

Yue Cao

A system and method for designing protein sequences conditioned on a specific target fold. The system is a transformer-based generative framework for modeling a complex sequence-structure relationship. To mitigate the heterogeneity between the sequence domain and the fold domain, a Fold-to-Sequence model jointly learns a sequence embedding using a transformer and a fold embedding from the density of secondary structural elements in 3D voxels. The joint sequence-fold representation through novel intra-domain and cross-domain losses with an intra-domain loss forces two semantically similar (where the proteins should have the same fold(s)) samples from the same domain to be close to each other in a latent space, while a cross-domain loss forces two semantically similar samples in different domains to be closer. In an embodiment, the Fold-to-Sequence model performs design tasks that include low resolution structures, structures with a region of missing residues, and NMR structural ensembles.

Embedding-based generative model for protein design

A query-based generic end-to-end molecular optimization ('QMO') system framework, method and computer program product for optimizing molecules, such as for accelerating drug discovery. The QMO framework decouples representation learning and guided search and applies to any plug-in encoder-decoder with continuous latent representations. QMO framework directly incorporates evaluations based on chemical modeling, analysis packages, and pre-trained machine-learned prediction models for efficient molecule optimization using a query-based guided search method based on zeroth order optimization. The QMO features efficient guided search with molecular property evaluations and constraints obtained using the predictive models and chemical modeling and analysis packages. QMO tasks include optimizing drug-likeness and penalized log P scores with similarity constraints and improving the target binding affinity of existing drugs to pathogens such as the SARS-CoV-2 main protease protein while preserving the desired drug properties. QMO tasks further improves optimizing antimicrobial peptides toward lower toxicity.

Query-based molecule optimization and applications to functional molecule discovery

Techniques regarding generating molecular structures with attributes of interest are provided. For example, one or more embodiments described herein can comprise a system, which can comprise a memory that can store computer executable components. The system can also comprise a processor, operably coupled to the memory, and that can execute the computer executable components stored in the memory. The computer executable components can comprise a transfer learning component that determines a molecular structure of a compound by employing a transfer learning process that utilizes lessons learned from an unconditional generative machine learning model to train a conditional machine learning model that regards a target attribute profile.

Transfer learning for molecular structure generation

One embodiment of the invention provides a method of training a chatbot. The method comprises identifying one or more chat logs that exhibit a trait. The method further comprises identifying one or more labels associated with the trait based on the one or more chat logs. The method further comprises training the chatbot to generate a response that models the trait based on the one or more chat logs. The method further comprises labeling the chatbot with the one or more labels.

Trait-modeled chatbots

Provided are systems, methods, and media for handling dialogs based on user behavior data. An example method includes receiving an input paragraph having one or more factual sentences, in which each of the one or more factual sentences includes one or more words. Receiving an input question comprising one or more words. Performing word-level gaze prediction on the input paragraph to identify one or more predicted gaze attributes for the input paragraph. Extracting an answer to the input question based, at least in part, on the input paragraph, the input question, and the one or more predicted gaze attributes of the input paragraph. Transmitting the extracted answer.

Question answering system influenced by user behavior and text metadata generation

Various embodiments select advertisements for delivery to at least one mass media streaming device at a given location and time slot. Content and corresponding time and physical location information being posted in an online portal from at least one electronic device are obtained. The content is filtered based on time slot and physical location. A set of typical topics for a location and time slot are determined. A subset of advertisements is selected from a set of available advertisements based on the set of typical topics. The subset of advertisements is delivered to the at least one mass media streaming device. The mass media streaming device may be a television. A set of current topics for the location and time slot may be determined and aggregated with the set of typical topics. The subset of advertisements may be selected from the set of available advertisements based on the aggregated set.

System and method for targeting mass media ads on the television to given physical locations using online activity profiles at the locations

Metadata about a movie is retrieved. The metadata includes a plurality of associated viewer responses from at least one previous audience viewing of the video. The plurality of associated viewer responses from the at least one previous audience viewing are associated with one or more segments of the video. A segment of the video associated with a type of viewer reaction based on emotion and sentiment recognition is identified. Additional media content based on the identified video segment is retrieved. A segment of the additional media content that exceeds a threshold of similarity with the segment of the video is determined. A video clip that includes the segment of the additional media content is created.

Dynamic generation of videos based on emotion and sentiment recognition

De novo, artificial intelligence (AI) designed antimicrobial peptides (AMPs), antibacterial products comprising the AMPs and methods for treating bacterial infections using the products are provided. In one or more embodiments, the AMPs were designed using conditional latent attribute space sampling (CLaSS). The AMPs comprise up to twenty natural amino acids in length, including one with twelve and another with thirteen natural amino acids in length. The AMPs demonstrate low-toxicity and show high antimicrobial potency against diverse pathogens including multi-medication-resistant Gram negative

Artificial intelligence designed antimicrobial peptides

A contextual zoom control method, system, and computer program product, includes in a single individual capturing mode, performing a camera function to assist the user in performing an image capturing action on an identity that is paired with a highest ranked individual on a ranked list within a set of key individuals attending an event, where the camera function includes at least one of a zoom function and a focus function and where the set of key individuals attending the event are determined by any of data mining a context of the event, a search engine, a social media source, and using natural language processing on a published program of the event.

Computer program product for contextual focus/zoom of event celebrities

A method, computer system, and computer program product for sport training on an augmented reality device or a virtual reality device is provided. The embodiment may include capturing a plurality of user movement data using one or more sensors. The embodiment may also include measuring a user body and eye gaze position based on the plurality of captured user movement data. The embodiment may further include calculating a body position difference by comparing the measured user body and eye gaze position with an expert-specified body position sequence. The embodiment may also include determining a body position quality threshold is not satisfied based on the calculated body position difference. The embodiment may further include generating an instruction based on the compared calculated body position difference.

Sport training on augmented/virtual reality devices by measuring hand-eye coordination-based measurements

According to an embodiment of the present invention, a video is generated from a communication session pertaining to support for use of a user interface. A scenario is identified within a document including content of the communication session. One or more items corresponding to the identified scenario and associated with the user interface are extracted from the document. The extracted items are mapped to corresponding aspects of the user interface, wherein at least one of the extracted items remains unmapped to the user interface. At least one question is determined for a user to receive information to map an unmapped item to a corresponding aspect of the user interface. A video is generated based on the mapped aspects of the user interface to reproduce one or more activities performed during the use of the user interface.

Generating a video for an interactive session on a user interface

In an approach to generating HTML based on a plurality of content and design controls, one or more computer processors crawl one or more conforming websites. The one or more computer processors create a training set of crawled conforming webpages, wherein each crawled conforming webpage in the training set of crawled conforming webpages includes associated web code labeled a combination of respective one or more content controls and respective one or more design controls; encode the combination of the respective one or more design controls and the respective one or more content controls based on one or more user preferences utilizing a created design encoder and a created content encoder; create a decoder with the training set of crawled conforming webpages and associated encoded content and design vectors; generate web code based on the encoded design and content controls utilizing the created decoder; implement generated web code.

Supervised environment controllable auto-generation of HTML

A fuel deal advertisement method, system, and non-transitory computer readable medium, include determining if a plurality of navigation route maps overlap each other at a point along travel and when the plurality of navigation route maps overlap each other, generating an advertisement to entice a user to stop at a first fuel refill center along the plurality of navigation route maps instead of stopping at a second fuel refill center along the plurality of navigation route maps.

Fuel deal advertisements

An authentication control method, system, and computer program product, includes performing an initial calibration to login to a registered device by detecting a plurality of biological signals, biometric signals, and idiosyncratic signals of a user and selecting a combination of the plurality of biological signals, biometric signals, and idiosyncratic signals to use in an initial calibration-authentication score, computing a login-authentication score at a time of the login based on a user input of signals corresponding to the signals of the initial calibration-authentication score, and allowing the login to the registered device if the login-authentication score is within a predetermined threshold of the initial calibration-authentication score.

System, method and computer program product for controlling and altering biological, biometric, and idiosyncratic authentications

A split and merge advertisement method, system, and non-transitory computer readable medium, include splitting a first advertisement to be played on a second device when a moving user of a first group of users moves from a proximity of a first device to a proximity of the second device.

Growing community of inventors

Croton on Hudson, NY, United States of America

Enara C Vijil