JP6866375B2 - 薬物設計のためのコンピュータシステム、訓練方法及び生成方法 - Google Patents
薬物設計のためのコンピュータシステム、訓練方法及び生成方法 Download PDFInfo
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Priority Applications (3)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| JP2021065411A JP7247258B2 (ja) | 2015-12-02 | 2021-04-07 | コンピュータシステム、方法及びプログラム |
| JP2023040192A JP7578371B2 (ja) | 2015-12-02 | 2023-03-15 | コンピュータシステム |
| JP2024185792A JP7764571B2 (ja) | 2015-12-02 | 2024-10-22 | 方法、コンピュータシステム及びプログラム |
Applications Claiming Priority (5)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| US201562262337P | 2015-12-02 | 2015-12-02 | |
| US62/262,337 | 2015-12-02 | ||
| US15/015,044 | 2016-02-03 | ||
| US15/015,044 US10776712B2 (en) | 2015-12-02 | 2016-02-03 | Generative machine learning systems for drug design |
| PCT/JP2016/085955 WO2017094899A1 (en) | 2015-12-02 | 2016-12-02 | Generative machine learning systems for drug design |
Related Child Applications (1)
| Application Number | Title | Priority Date | Filing Date |
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| JP2021065411A Division JP7247258B2 (ja) | 2015-12-02 | 2021-04-07 | コンピュータシステム、方法及びプログラム |
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| Publication Number | Publication Date |
|---|---|
| JP2019502988A JP2019502988A (ja) | 2019-01-31 |
| JP2019502988A5 JP2019502988A5 (OSRAM) | 2020-01-23 |
| JP6866375B2 true JP6866375B2 (ja) | 2021-04-28 |
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| Application Number | Title | Priority Date | Filing Date |
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| JP2018528803A Active JP6866375B2 (ja) | 2015-12-02 | 2016-12-02 | 薬物設計のためのコンピュータシステム、訓練方法及び生成方法 |
| JP2021065411A Active JP7247258B2 (ja) | 2015-12-02 | 2021-04-07 | コンピュータシステム、方法及びプログラム |
| JP2023040192A Active JP7578371B2 (ja) | 2015-12-02 | 2023-03-15 | コンピュータシステム |
| JP2024185792A Active JP7764571B2 (ja) | 2015-12-02 | 2024-10-22 | 方法、コンピュータシステム及びプログラム |
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| Application Number | Title | Priority Date | Filing Date |
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| JP2021065411A Active JP7247258B2 (ja) | 2015-12-02 | 2021-04-07 | コンピュータシステム、方法及びプログラム |
| JP2023040192A Active JP7578371B2 (ja) | 2015-12-02 | 2023-03-15 | コンピュータシステム |
| JP2024185792A Active JP7764571B2 (ja) | 2015-12-02 | 2024-10-22 | 方法、コンピュータシステム及びプログラム |
Country Status (3)
| Country | Link |
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| US (4) | US10776712B2 (OSRAM) |
| JP (4) | JP6866375B2 (OSRAM) |
| WO (1) | WO2017094899A1 (OSRAM) |
Families Citing this family (157)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| US9572038B2 (en) | 2012-05-13 | 2017-02-14 | Amir Keyvan Khandani | Full duplex wireless transmission with channel phase-based encryption |
| US10177896B2 (en) | 2013-05-13 | 2019-01-08 | Amir Keyvan Khandani | Methods for training of full-duplex wireless systems |
| US20150124566A1 (en) | 2013-10-04 | 2015-05-07 | Thalmic Labs Inc. | Systems, articles and methods for wearable electronic devices employing contact sensors |
| US11921471B2 (en) | 2013-08-16 | 2024-03-05 | Meta Platforms Technologies, Llc | Systems, articles, and methods for wearable devices having secondary power sources in links of a band for providing secondary power in addition to a primary power source |
| US10188309B2 (en) | 2013-11-27 | 2019-01-29 | North Inc. | Systems, articles, and methods for electromyography sensors |
| US10042422B2 (en) | 2013-11-12 | 2018-08-07 | Thalmic Labs Inc. | Systems, articles, and methods for capacitive electromyography sensors |
| US12504816B2 (en) | 2013-08-16 | 2025-12-23 | Meta Platforms Technologies, Llc | Wearable devices and associated band structures for sensing neuromuscular signals using sensor pairs in respective pods with communicative pathways to a common processor |
| US9880632B2 (en) | 2014-06-19 | 2018-01-30 | Thalmic Labs Inc. | Systems, devices, and methods for gesture identification |
| US10776712B2 (en) | 2015-12-02 | 2020-09-15 | Preferred Networks, Inc. | Generative machine learning systems for drug design |
| US10074066B2 (en) * | 2016-01-16 | 2018-09-11 | International Business Machines Corporation | Two phase predictive approach for supply network optimization |
| GB201718756D0 (en) * | 2017-11-13 | 2017-12-27 | Cambridge Bio-Augmentation Systems Ltd | Neural interface |
| US10333593B2 (en) | 2016-05-02 | 2019-06-25 | Amir Keyvan Khandani | Systems and methods of antenna design for full-duplex line of sight transmission |
| EP3487457B1 (en) | 2016-07-25 | 2023-09-06 | Facebook Technologies, LLC. | Adaptive system for deriving control signals from measurements of neuromuscular activity |
| EP3487595A4 (en) * | 2016-07-25 | 2019-12-25 | CTRL-Labs Corporation | SYSTEM AND METHOD FOR MEASURING THE MOVEMENT OF FLEXIBLE RIGID BODIES |
| EP3487402B1 (en) | 2016-07-25 | 2021-05-05 | Facebook Technologies, LLC | Methods and apparatus for inferring user intent based on neuromuscular signals |
| CN110300542A (zh) | 2016-07-25 | 2019-10-01 | 开创拉布斯公司 | 使用可穿戴的自动传感器预测肌肉骨骼位置信息的方法和装置 |
| US11216069B2 (en) | 2018-05-08 | 2022-01-04 | Facebook Technologies, Llc | Systems and methods for improved speech recognition using neuromuscular information |
| US10650227B2 (en) * | 2016-10-31 | 2020-05-12 | Google Llc | Face reconstruction from a learned embedding |
| CN108021549B (zh) * | 2016-11-04 | 2019-08-13 | 华为技术有限公司 | 序列转换方法及装置 |
| EP3566182A1 (en) * | 2017-02-06 | 2019-11-13 | Deepmind Technologies Limited | Memory augmented generative temporal models |
| WO2018192672A1 (en) * | 2017-04-19 | 2018-10-25 | Siemens Healthcare Gmbh | Target detection in latent space |
| US10700766B2 (en) | 2017-04-19 | 2020-06-30 | Amir Keyvan Khandani | Noise cancelling amplify-and-forward (in-band) relay with self-interference cancellation |
| US11288575B2 (en) * | 2017-05-18 | 2022-03-29 | Microsoft Technology Licensing, Llc | Asynchronous neural network training |
| EP3648017A4 (en) * | 2017-06-29 | 2021-08-04 | Preferred Networks, Inc. | DATA DISCRIMINATOR LEARNING PROCESS, DATA DISCRIMINATOR LEARNING DEVICE, PROGRAM, AND LEARNING PROCESS |
| US11035227B2 (en) | 2017-07-14 | 2021-06-15 | The Board Of Regents Of The University Of Oklahoma | Generating spectral responses of materials |
| US20200349451A1 (en) * | 2017-09-06 | 2020-11-05 | Semiconductor Energy Laboratory Co., Ltd. | Physical Property Prediction Method and Physical Property Prediction System |
| CN110021373A (zh) * | 2017-09-19 | 2019-07-16 | 上海交通大学 | 一种化学反应的合法性预测方法 |
| US10679129B2 (en) * | 2017-09-28 | 2020-06-09 | D5Ai Llc | Stochastic categorical autoencoder network |
| WO2019070517A1 (en) * | 2017-10-03 | 2019-04-11 | Bioanalytix, Inc. | Systems and methods for automated biologic development determinations |
| US11057204B2 (en) * | 2017-10-04 | 2021-07-06 | Amir Keyvan Khandani | Methods for encrypted data communications |
| EP3697297A4 (en) | 2017-10-19 | 2020-12-16 | Facebook Technologies, Inc. | SYSTEMS AND PROCEDURES FOR IDENTIFICATION OF BIOLOGICAL STRUCTURES IN CONNECTION WITH SIGNALS OF NEUROMUSCULAR ORIGIN |
| US11855971B2 (en) * | 2018-01-11 | 2023-12-26 | Visa International Service Association | Offline authorization of interactions and controlled tasks |
| US11012144B2 (en) | 2018-01-16 | 2021-05-18 | Amir Keyvan Khandani | System and methods for in-band relaying |
| US11567573B2 (en) | 2018-09-20 | 2023-01-31 | Meta Platforms Technologies, Llc | Neuromuscular text entry, writing and drawing in augmented reality systems |
| US11481030B2 (en) | 2019-03-29 | 2022-10-25 | Meta Platforms Technologies, Llc | Methods and apparatus for gesture detection and classification |
| US11907423B2 (en) | 2019-11-25 | 2024-02-20 | Meta Platforms Technologies, Llc | Systems and methods for contextualized interactions with an environment |
| US10937414B2 (en) | 2018-05-08 | 2021-03-02 | Facebook Technologies, Llc | Systems and methods for text input using neuromuscular information |
| US11493993B2 (en) | 2019-09-04 | 2022-11-08 | Meta Platforms Technologies, Llc | Systems, methods, and interfaces for performing inputs based on neuromuscular control |
| US11961494B1 (en) | 2019-03-29 | 2024-04-16 | Meta Platforms Technologies, Llc | Electromagnetic interference reduction in extended reality environments |
| US11150730B1 (en) | 2019-04-30 | 2021-10-19 | Facebook Technologies, Llc | Devices, systems, and methods for controlling computing devices via neuromuscular signals of users |
| CN112074870A (zh) | 2018-01-25 | 2020-12-11 | 脸谱科技有限责任公司 | 重构的手部状态信息的可视化 |
| JP6893483B2 (ja) * | 2018-02-09 | 2021-06-23 | 株式会社デンソーアイティーラボラトリ | 情報推定装置及び情報推定方法 |
| WO2019155064A1 (en) * | 2018-02-09 | 2019-08-15 | Deepmind Technologies Limited | Data compression using jointly trained encoder, decoder, and prior neural networks |
| US11087861B2 (en) | 2018-03-15 | 2021-08-10 | International Business Machines Corporation | Creation of new chemical compounds having desired properties using accumulated chemical data to construct a new chemical structure for synthesis |
| EP3561702A1 (de) * | 2018-04-23 | 2019-10-30 | Covestro Deutschland AG | Verfahren zum ermitteln einer produktkomposition für ein chemisches mischungsprodukt |
| US10592001B2 (en) | 2018-05-08 | 2020-03-17 | Facebook Technologies, Llc | Systems and methods for improved speech recognition using neuromuscular information |
| JP7002404B2 (ja) * | 2018-05-15 | 2022-01-20 | 株式会社日立製作所 | データから潜在因子を発見するニューラルネットワーク |
| WO2019231911A1 (en) | 2018-05-29 | 2019-12-05 | Ctrl-Labs Corporation | Shielding techniques for noise reduction in surface electromyography signal measurement and related systems and methods |
| WO2019241701A1 (en) | 2018-06-14 | 2019-12-19 | Ctrl-Labs Corporation | User identification and authentication with neuromuscular signatures |
| JP7119631B2 (ja) * | 2018-06-20 | 2022-08-17 | 日本電信電話株式会社 | 検知装置、検知方法および検知プログラム |
| US11045137B2 (en) | 2018-07-19 | 2021-06-29 | Facebook Technologies, Llc | Methods and apparatus for improved signal robustness for a wearable neuromuscular recording device |
| US11552731B2 (en) * | 2018-07-20 | 2023-01-10 | Nokia Technologies Oy | Learning in communication systems by updating of parameters in a receiving algorithm |
| WO2020023650A1 (en) * | 2018-07-25 | 2020-01-30 | Wuxi Nextcode Genomics Usa, Inc. | Retrosynthesis prediction using deep highway networks and multiscale reaction classification |
| JP6559850B1 (ja) | 2018-07-27 | 2019-08-14 | Karydo TherapeutiX株式会社 | ヒトにおける被験物質の作用を予測するための人工知能モデル |
| EP3836836B1 (en) | 2018-08-13 | 2024-03-20 | Meta Platforms Technologies, LLC | Real-time spike detection and identification |
| US11461693B2 (en) | 2018-08-20 | 2022-10-04 | United Microelectronics Corp. | Training apparatus and training method for providing sample size expanding model |
| US10905350B2 (en) | 2018-08-31 | 2021-02-02 | Facebook Technologies, Llc | Camera-guided interpretation of neuromuscular signals |
| US11893498B2 (en) | 2018-09-18 | 2024-02-06 | Insilico Medicine Ip Limited | Subset conditioning using variational autoencoder with a learnable tensor train induced prior |
| US11593660B2 (en) * | 2018-09-18 | 2023-02-28 | Insilico Medicine Ip Limited | Subset conditioning using variational autoencoder with a learnable tensor train induced prior |
| US10921764B2 (en) | 2018-09-26 | 2021-02-16 | Facebook Technologies, Llc | Neuromuscular control of physical objects in an environment |
| BR112021005978A2 (pt) * | 2018-09-28 | 2021-06-29 | Dow Global Technologies Llc | sistema para treinar um classificador de aprendizado de máquina híbrido, método implementado por computador, artigo de fabricação, e, dispositivo de computação. |
| WO2020072915A1 (en) | 2018-10-05 | 2020-04-09 | Ctrl-Labs Corporation | Use of neuromuscular signals to provide enhanced interactions with physical objects in an augmented reality environment |
| KR20210076122A (ko) * | 2018-10-23 | 2021-06-23 | 더 보드 어브 트러스티스 어브 더 리랜드 스탠포드 주니어 유니버시티 | 심층 특성화를 포함하는 능동 전달 학습을 위한 시스템 및 방법 |
| CN111126554A (zh) * | 2018-10-31 | 2020-05-08 | 深圳市云网拜特科技有限公司 | 一种基于生成对抗网络的药物先导化合物筛选方法和系统 |
| US11928610B2 (en) | 2018-11-19 | 2024-03-12 | Koninklijke Philips N.V. | Clinical case search and generation system and method based on a probabilistic encoder-generator framework |
| US11797087B2 (en) | 2018-11-27 | 2023-10-24 | Meta Platforms Technologies, Llc | Methods and apparatus for autocalibration of a wearable electrode sensor system |
| CN113168556B (zh) * | 2018-11-30 | 2025-08-19 | Asml荷兰有限公司 | 用于降低机器学习模型预测中的不确定性的方法 |
| US10311334B1 (en) * | 2018-12-07 | 2019-06-04 | Capital One Services, Llc | Learning to process images depicting faces without leveraging sensitive attributes in deep learning models |
| US11995854B2 (en) * | 2018-12-19 | 2024-05-28 | Nvidia Corporation | Mesh reconstruction using data-driven priors |
| US20210217498A1 (en) * | 2018-12-24 | 2021-07-15 | Medirita | Data processing apparatus and method for predicting effectiveness and safety of new drug candidate substance |
| US20210397978A1 (en) * | 2018-12-24 | 2021-12-23 | Medirita | Apparatus and method for processing data discovering new drug candidate substance |
| WO2020142110A1 (en) * | 2018-12-31 | 2020-07-09 | Intel Corporation | Securing systems employing artificial intelligence |
| CN109711483B (zh) * | 2019-01-08 | 2020-10-27 | 西安交通大学 | 一种基于Sparse Autoencoder的电力系统运行方式聚类方法 |
| US20220130494A1 (en) * | 2019-02-11 | 2022-04-28 | Neal W. Woodbury | Systems, methods, and media for molecule design using machine learning mechanisms |
| US10905383B2 (en) | 2019-02-28 | 2021-02-02 | Facebook Technologies, Llc | Methods and apparatus for unsupervised one-shot machine learning for classification of human gestures and estimation of applied forces |
| JP7218624B2 (ja) * | 2019-03-08 | 2023-02-07 | 富士通株式会社 | データ処理プログラム及びデータ処理方法 |
| JP7246979B2 (ja) * | 2019-03-18 | 2023-03-28 | 株式会社日立製作所 | 生物反応情報処理システムおよび生物反応情報処理方法 |
| CN111798935B (zh) * | 2019-04-09 | 2024-07-05 | 南京药石科技股份有限公司 | 基于神经网络的普适性化合物结构-性质相关性预测方法 |
| US20200327963A1 (en) * | 2019-04-11 | 2020-10-15 | Accenture Global Solutions Limited | Latent Space Exploration Using Linear-Spherical Interpolation Region Method |
| US11777715B2 (en) | 2019-05-15 | 2023-10-03 | Amir Keyvan Khandani | Method and apparatus for generating shared secrets |
| US11315038B2 (en) | 2019-05-16 | 2022-04-26 | International Business Machines Corporation | Method to measure similarity of datasets for given AI task |
| CN110311743B (zh) * | 2019-06-05 | 2021-06-22 | 宁波大学 | 一种变分推断估计主用户占空比的方法 |
| US10515715B1 (en) * | 2019-06-25 | 2019-12-24 | Colgate-Palmolive Company | Systems and methods for evaluating compositions |
| WO2020259946A1 (en) * | 2019-06-28 | 2020-12-30 | Robert Bosch Gmbh | A method to prevent capturing of models in an artificial intelligence based system |
| US20220270711A1 (en) * | 2019-08-02 | 2022-08-25 | Flagship Pioneering Innovations Vi, Llc | Machine learning guided polypeptide design |
| CN110580937B (zh) * | 2019-08-21 | 2023-11-21 | 上海云贵信息科技有限公司 | 基于结构及药代动力学性质的物质成药性评价方法和装置 |
| JP2022544859A (ja) | 2019-08-23 | 2022-10-21 | アンラーン.エーアイ, インコーポレイテッド | 生成モデルを用いてデータを補完するためのシステムおよび方法 |
| US12293809B2 (en) * | 2019-08-23 | 2025-05-06 | Insilico Medicine Ip Limited | Workflow for generating compounds with biological activity against a specific biological target |
| US20220277815A1 (en) * | 2019-08-29 | 2022-09-01 | Semiconductor Energy Laboratory Co., Ltd. | Property Prediction System |
| JP7353874B2 (ja) | 2019-09-03 | 2023-10-02 | 株式会社日立製作所 | 材料特性予測装置および材料特性予測方法 |
| US11586982B2 (en) | 2019-09-18 | 2023-02-21 | Samsung Electronics Co., Ltd. | Electronic and atomic structure computation utilizing machine learning |
| JP7267883B2 (ja) * | 2019-09-18 | 2023-05-02 | 株式会社日立製作所 | 材料特性予測システムおよび材料特性予測方法 |
| EP3798918B1 (en) | 2019-09-26 | 2025-10-29 | Naver Corporation | Using semi-supervised variational autoencoder for wi-fi-based indoor localization |
| JP7392366B2 (ja) | 2019-10-01 | 2023-12-06 | 富士通株式会社 | 最適解獲得プログラム、最適解獲得方法および情報処理装置 |
| KR102814913B1 (ko) * | 2019-10-02 | 2025-05-30 | 삼성전자주식회사 | 응답 추론 방법 및 장치 |
| US11537898B2 (en) * | 2019-10-02 | 2022-12-27 | Samsung Electronics Co., Ltd. | Generative structure-property inverse computational co-design of materials |
| US11854672B2 (en) * | 2019-10-10 | 2023-12-26 | Samsung Electronics Co., Ltd. | Method and apparatus for generating chemical structure |
| US11481626B2 (en) * | 2019-10-15 | 2022-10-25 | International Business Machines Corporation | Generating attribute-based samples |
| EP4047607A4 (en) * | 2019-10-17 | 2022-12-07 | Karydo Therapeutix, Inc. | ARTIFICIAL INTELLIGENCE MODEL FOR PREDICTING INDICATIONS FOR TEST SUBSTANCES IN HUMANS |
| WO2021077097A1 (en) * | 2019-10-18 | 2021-04-22 | Unlearn.AI, Inc. | Systems and methods for training generative models using summary statistics and other constraints |
| US20220383993A1 (en) * | 2019-10-21 | 2022-12-01 | Standigm Inc. | Method and device for designing compound |
| DE102019216927A1 (de) * | 2019-11-04 | 2021-05-06 | Robert Bosch Gmbh | Synthetische Erzeugung von Radar-, LIDAR- und Ultraschallmessdaten |
| US11507840B2 (en) * | 2019-11-13 | 2022-11-22 | International Business Machines Corporation | Region constrained regularized adversarial examples for model interpretability |
| US11443236B2 (en) | 2019-11-22 | 2022-09-13 | International Business Machines Corporation | Enhancing fairness in transfer learning for machine learning models with missing protected attributes in source or target domains |
| CN112949344B (zh) * | 2019-11-26 | 2023-03-31 | 四川大学 | 一种用于异常检测的特征自回归方法 |
| US12089953B1 (en) | 2019-12-04 | 2024-09-17 | Meta Platforms Technologies, Llc | Systems and methods for utilizing intrinsic current noise to measure interface impedances |
| KR20210072528A (ko) * | 2019-12-09 | 2021-06-17 | 삼성전자주식회사 | 뉴럴 네트워크를 이용하여 새로운 화학 구조를 생성하는 장치 및 방법 |
| CN110970099B (zh) * | 2019-12-10 | 2023-04-28 | 北京大学 | 一种基于正则化变分自动编码器的药物分子生成方法 |
| US11664094B2 (en) * | 2019-12-26 | 2023-05-30 | Industrial Technology Research Institute | Drug-screening system and drug-screening method |
| CN113053470B (zh) * | 2019-12-26 | 2024-11-12 | 财团法人工业技术研究院 | 药物筛选系统与药物筛选方法 |
| WO2021142306A1 (en) * | 2020-01-10 | 2021-07-15 | Modernatx, Inc. | Variational autoencoder for biological sequence generation |
| WO2021146432A1 (en) * | 2020-01-14 | 2021-07-22 | Flagship Pioneering Innovations Vi, Llc | Molecule design |
| US11436427B2 (en) * | 2020-03-02 | 2022-09-06 | Lawrence Livermore National Security, Llc | Generative attribute optimization |
| US11587679B2 (en) * | 2020-03-26 | 2023-02-21 | International Business Machines Corporation | Generating computer models from implicitly relevant feature sets |
| US11615317B2 (en) | 2020-04-10 | 2023-03-28 | Samsung Electronics Co., Ltd. | Method and apparatus for learning stochastic inference models between multiple random variables with unpaired data |
| US11174289B1 (en) | 2020-05-21 | 2021-11-16 | International Business Machines Corporation | Artificial intelligence designed antimicrobial peptides |
| CN115668237A (zh) * | 2020-05-22 | 2023-01-31 | 巴斯夫涂料有限公司 | 化学混合物的特性预测 |
| US12079730B2 (en) | 2020-05-28 | 2024-09-03 | International Business Machines Corporation | Transfer learning for molecular structure generation |
| EP4118658B1 (en) * | 2020-06-26 | 2025-08-06 | Google LLC | Retrosynthesis using neural networks |
| US20220059196A1 (en) * | 2020-08-24 | 2022-02-24 | Peptilogics, Inc. | Artificial intelligence engine for generating candidate drugs using experimental validation and peptide drug optimization |
| CN112116963B (zh) * | 2020-09-24 | 2024-11-19 | 深圳智药信息科技有限公司 | 自动药物设计方法、系统、计算设备及计算机可读存储介质 |
| US11127488B1 (en) | 2020-09-25 | 2021-09-21 | Accenture Global Solutions Limited | Machine learning systems for automated pharmaceutical molecule screening and scoring |
| US20220138537A1 (en) * | 2020-11-02 | 2022-05-05 | International Business Machines Corporation | Probabilistic nonlinear relationships cross-multi time series and external factors for improved multivariate time series modeling and forecasting |
| CN112270951B (zh) * | 2020-11-10 | 2022-11-01 | 四川大学 | 基于多任务胶囊自编码器神经网络的全新分子生成方法 |
| JP7603965B2 (ja) * | 2020-11-18 | 2024-12-23 | 株式会社国際電気通信基礎技術研究所 | 分類器の訓練方法及び訓練装置、及びコンピュータプログラム |
| US20220165359A1 (en) | 2020-11-23 | 2022-05-26 | Peptilogics, Inc. | Generating anti-infective design spaces for selecting drug candidates |
| US20220165366A1 (en) * | 2020-11-23 | 2022-05-26 | International Business Machines Corporation | Topology-Driven Completion of Chemical Data |
| CN112582032B (zh) * | 2020-11-27 | 2024-05-17 | 北京科技大学 | 基于机器学习模型设计高热稳定性铁基软磁非晶合金 |
| CN114627981A (zh) * | 2020-12-14 | 2022-06-14 | 阿里巴巴集团控股有限公司 | 化合物分子结构的生成方法及装置、非易失性存储介质 |
| US20220189578A1 (en) * | 2020-12-14 | 2022-06-16 | International Business Machines Corporation | Interpretable molecular generative models |
| US11610139B2 (en) | 2020-12-16 | 2023-03-21 | Ro5 Inc. | System and method for the latent space optimization of generative machine learning models |
| US20220222520A1 (en) * | 2021-01-13 | 2022-07-14 | International Business Machines Corporation | Supervised vae for optimization of value function and generation of desired data |
| JP7601205B2 (ja) * | 2021-03-22 | 2024-12-17 | 日本電気株式会社 | 情報処理装置、情報処理方法、及びプログラム |
| US20220318689A1 (en) * | 2021-04-06 | 2022-10-06 | Unlearn.AI, Inc. | Systems and Methods for Model Selection |
| US11868531B1 (en) | 2021-04-08 | 2024-01-09 | Meta Platforms Technologies, Llc | Wearable device providing for thumb-to-finger-based input gestures detected based on neuromuscular signals, and systems and methods of use thereof |
| CN113223637B (zh) * | 2021-05-07 | 2023-07-25 | 中国科学院自动化研究所 | 基于领域知识和深度强化学习的药物分子生成器训练方法 |
| CN113327651A (zh) * | 2021-05-31 | 2021-08-31 | 东南大学 | 一种基于变分自编码器和消息传递神经网络的分子图生成方法 |
| WO2023008160A1 (ja) | 2021-07-26 | 2023-02-02 | 株式会社ブリヂストン | 推定装置、推定方法、推定プログラム、及びロボットシステム |
| WO2023034051A1 (en) * | 2021-09-01 | 2023-03-09 | Carnegie Mellon University | System and method for material modelling and design using differentiable models |
| JP7275216B2 (ja) * | 2021-09-03 | 2023-05-17 | 株式会社サイバーエージェント | 広告制作支援プログラム、広告制作支援装置及び広告制作支援方法 |
| TWI789042B (zh) * | 2021-10-01 | 2023-01-01 | 瑞昱半導體股份有限公司 | 具有平均量化機制的神經網路建構方法及裝置 |
| TW202343468A (zh) * | 2022-03-01 | 2023-11-01 | 香港商英矽智能科技知識產權有限公司 | 用於結合位點描述符擷取與重新分子生成之以結構為主的深度生成模型 |
| US12380329B2 (en) | 2022-03-01 | 2025-08-05 | Insilico Medicine Ip Limited | Structure-based deep generative model for binding site descriptors extraction and de novo molecular generation |
| GB2621108A (en) | 2022-07-08 | 2024-02-07 | Topia Life Sciences Ltd | An automated system for generating novel molecules |
| US12243292B2 (en) * | 2022-09-02 | 2025-03-04 | Lemon Inc. | Systems for multi-task joint training of neural networks using multi-label datasets |
| WO2024172853A1 (en) | 2023-02-17 | 2024-08-22 | Unlearn. Ai, Inc. | Systems and methods enabling baseline prediction correction |
| US11966850B1 (en) | 2023-02-22 | 2024-04-23 | Unlearn.AI, Inc. | Systems and methods for training predictive models that ignore missing features |
| US11972333B1 (en) * | 2023-06-28 | 2024-04-30 | Intuit Inc. | Supervisory systems for generative artificial intelligence models |
| WO2025013188A1 (ja) * | 2023-07-10 | 2025-01-16 | 富士通株式会社 | 機械学習プログラム、方法、及び装置 |
| WO2025048807A1 (en) * | 2023-08-31 | 2025-03-06 | Stem Ai, Inc. | Internodal behavior prediction in machine learning models |
| WO2025076106A1 (en) * | 2023-10-02 | 2025-04-10 | Research Foundation Of The City University Of New York | Extracellular vesicle release inhibition identification using drug detection machine learning modeling |
| WO2025081097A1 (en) * | 2023-10-13 | 2025-04-17 | Albert Invent Corp. | Generating predictions relating to chemical processes using machine learning models |
| US20250140355A1 (en) * | 2023-10-31 | 2025-05-01 | Microsoft Technology Licensing, Llc | Framework for analyzing properties of chemical materials |
| US12368503B2 (en) | 2023-12-27 | 2025-07-22 | Quantum Generative Materials Llc | Intent-based satellite transmit management based on preexisting historical location and machine learning |
| CN120677476A (zh) * | 2024-01-19 | 2025-09-19 | 维萨国际服务协会 | 用于区分攻击与正常交易的门控多编码器机器学习模型 |
| WO2025186253A1 (en) | 2024-03-05 | 2025-09-12 | Casillas Pacheco Ruben Alfonso | Method, system and computer-readable storage medium for mycelium biocomposite property prediction and method, system and computer-readable storage medium for processing myceliumelectrography signals |
| WO2025193897A1 (en) * | 2024-03-14 | 2025-09-18 | Cellarity, Inc. | Targeted molecule generation with latent reinforcement learning |
Family Cites Families (19)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| US5425128A (en) * | 1992-05-29 | 1995-06-13 | Sunquest Information Systems, Inc. | Automatic management system for speech recognition processes |
| US5463564A (en) | 1994-09-16 | 1995-10-31 | 3-Dimensional Pharmaceuticals, Inc. | System and method of automatically generating chemical compounds with desired properties |
| US8704832B2 (en) | 2008-09-20 | 2014-04-22 | Mixamo, Inc. | Interactive design, synthesis and delivery of 3D character motion data through the web |
| WO2012009724A1 (en) | 2010-07-16 | 2012-01-19 | The Trustees Of Columbia University In The City Of New York | Machine learning for power grids |
| WO2012026929A1 (en) * | 2010-08-25 | 2012-03-01 | Optibrium Ltd | Compound selection in drug discovery |
| US8924314B2 (en) | 2010-09-28 | 2014-12-30 | Ebay Inc. | Search result ranking using machine learning |
| US9088601B2 (en) | 2010-12-01 | 2015-07-21 | Cisco Technology, Inc. | Method and apparatus for detecting malicious software through contextual convictions, generic signatures and machine learning techniques |
| US9916538B2 (en) | 2012-09-15 | 2018-03-13 | Z Advanced Computing, Inc. | Method and system for feature detection |
| US8311973B1 (en) | 2011-09-24 | 2012-11-13 | Zadeh Lotfi A | Methods and systems for applications for Z-numbers |
| US8484022B1 (en) * | 2012-07-27 | 2013-07-09 | Google Inc. | Adaptive auto-encoders |
| US20140046879A1 (en) | 2012-08-13 | 2014-02-13 | Predixion Software, Inc. | Machine learning semantic model |
| US20150310162A1 (en) | 2012-08-27 | 2015-10-29 | Kyoto Constella Technologies Co., Ltd. | Compound Design Device, Compound Design Method, And Computer Program |
| US20140278130A1 (en) * | 2013-03-14 | 2014-09-18 | William Michael Bowles | Method of predicting toxicity for chemical compounds |
| US20140310218A1 (en) | 2013-04-11 | 2014-10-16 | Nec Laboratories America, Inc. | High-Order Semi-RBMs and Deep Gated Neural Networks for Feature Interaction Identification and Non-Linear Semantic Indexing |
| US10318881B2 (en) * | 2013-06-28 | 2019-06-11 | D-Wave Systems Inc. | Systems and methods for quantum processing of data |
| US9153024B2 (en) * | 2013-08-02 | 2015-10-06 | CRIXlabs, Inc. | Method and system for predicting spatial and temporal distributions of therapeutic substance carriers |
| WO2017074455A1 (en) * | 2015-10-30 | 2017-05-04 | Halliburton Energy Services, Inc. | Producing chemical formulations with cognitive computing |
| KR102457974B1 (ko) | 2015-11-04 | 2022-10-21 | 삼성전자주식회사 | 신규 물질 탐색 방법 및 장치 |
| US10776712B2 (en) | 2015-12-02 | 2020-09-15 | Preferred Networks, Inc. | Generative machine learning systems for drug design |
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