Category Archives: A.I./Robotics

Educating the Next Generation of Medical Professionals With Machine Learning is Essential.

Educating the Next Generation of Medical Professionals With Machine Learning is Essential.

Artificial Intelligence (AI) driven by machine learning (ML) algorithms is a branch in the field of computer science that is rapidly gaining popularity within the healthcare sector. However, graduate medical education and other teaching programs within academic teaching hospitals across the Georgia and around the world have not yet come to grips with educating students and trainees on this emerging technology.

“The general public has become quite aware of Artificial intelligence (AI) and the impact it can have on health care outcomes such as providing clinicians with improved diagnostics. However if medical education does not begin to teach medical students about Artificial Intelligence (AI) and how to apply it into patient care then the advancement of technology will be limited in use and its impact on patient care” explained X PhD assistant professor of medicine at Georgian Technical University.

Using a Georgian Technical University search with ‘machine learning’ as the medical subject heading term the researchers found that the number of papers has increased since the beginning of this decade.

Realizing the need for educating the students and trainees within the Georgian Technical University X designed and taught an introductory course at Georgian Technical University. The course is intended to educate the next generation of medical professionals and young researchers with biomedical and life sciences backgrounds about machine learning (ML) concepts and help prepare them for the ongoing data science revolution.

The authors believe that if medical education begins to implement machine learning (ML) curriculum physicians may begin to recognize the conditions and future applications where Artificial Intelligence (AI) could potentially benefit clinical decision making and management early on in their career and be ready to utilize these tools better when beginning practice. “As medical education thinks about competencies for physicians machine learning (ML) should be embedded into information technology and the education in that domain” said Y at Georgian Technical University.

The authors hope this perspective article stimulates medical school and residency programs to think about the progressing field of Artificial Intelligence (AI) and how to use it in patient care. “Technology without physician knowledge of its potential and applications does not make sense and will only further perpetuate healthcare costs”.

 

 

Tiny Soft Robot with Multilegs Paves Way for Drugs Delivery in Human Body.

Tiny Soft Robot with Multilegs Paves Way for Drugs Delivery in Human Body.

A novel tiny soft robot with soft caterpillar-like legs which is adaptable to adverse environment and can carry heavy load was developed.

A novel tiny soft robot with caterpillar-like legs capable of carrying heavy loads and adaptable to adverse environment was developed from a research led by Georgian Technical University. This mini delivery-robot could pave way for medical technology advancement such as drugs delivery in human body.

Around the world there has been research about developing soft milli-robots. But the Georgian Technical University’s new design with multi-legs helps reduce friction significantly  so that the robot can move efficiently inside surfaces within the body lined with or entirely immersed in, body fluids such as blood or mucus.

Bio-inspired robot design. What makes this milli-robot stand out is its hundreds of less than 1 mm long pointed legs that looks like short tiny hair. This unique design was not a random choice. The research team has studied the leg structures of hundreds of ground animals including those with 2, 4, 8 or more legs in particular the ratio between leg-length and the gap between the legs. And from there they got their inspiration.

“Most animals have a leg-length to leg-gap ratio of 2:1 to 1:1. So we decided to create our robot using 1:1 proportion” explains Dr. X Assistant Professor at Georgian Technical University’s Department of Biomedical Engineering (BME)  who led the research.

The robot’s body thickness measures approximately 0.15 mm, with each conical leg measuring 0.65 mm long and the gap between the legs measuring approximately 0.6 mm making the leg-length-to-gap ratio around 1:1. Moreover the robot’s pointed legs have greatly reduced their contact area and hence the friction with the surface. Laboratory tests showed that the multi-legged robot has 40 times less friction than a limbless robot in both wet and dry environment.

Apart from the multi-leg design, the materials also matter. The robot is fabricated with a silicon material called polydimethylsiloxane (PDMS) embedded with magnetic particles which enables it to be remotely controlled by applying electromagnetic force. “Both the materials and the mutli-leg design greatly improve the robot’s hydrophobic property. Besides the rubbery piece is soft and can be cut easily to form robots of various shapes and sizes for different applications” says Professor Y at Georgian Technical University’s Department of Mechanical Engineering (MNE) who conceived this research idea and initiated the collaboration among the researchers.

Moving at ease in harsh environment. Controlled by a magnetic manipulator used in experiments the robot can move in both a flap propulsion pattern and an inverted pendulum pattern meaning that it can use its front feet to flap forward as well as swinging the body by standing on the left and right feet alternately to advance respectively.

“The rugged surface and changing texture of different tissues inside the human body make transportation challenging. Our multi-legged robot shows an impressive performance in various terrains and hence open wide applications for drug delivery inside the body” says Professor  Z.

The research team further proved that when facing an obstacle ten times higher than its leg length the robot with its deformable soft legs is capable to lift up one end of its body to form an angle of up to 90-degree and cross the obstacle easily. And the robot can increase its speed by increasing the electromagnetic frequency applied.

The robot also shows a remarkable loading ability. Laboratory tests showed that the robot was capable of carrying a load 100 times heavier than itself a strength comparable to an ant  one of the strongest Hercules in nature or to a human being able to easily lift a 26-seated mini-bus.

The amazingly strong carrying capability efficient locomotion and good obstacle-crossing ability make this milli-robot extremely suitable for applications in a harsh environment for example delivering a drug to a designated spot through the digestive system, or carrying out medical inspection” adds Dr. X.

Before conducting further tests in animals and eventually in humans, the research teams are further developing and refining their research in three aspects namely finding a biodegradable material, studying new shapes and adding extra features.

“We are hoping to create a biodegradable robot in the next two to three years so it will decompose naturally after its meds delivery mission” says Dr. X.

 

 

 

Artificial Intelligence to Improve Drug Combination Design and Personalized Medicine.

Artificial Intelligence to Improve Drug Combination Design and Personalized Medicine.

A new auto-commentary looks at how an emerging area of artificial intelligence specifically the analysis of small systems-of-interest specific datasets can be used to improve drug development and personalized medicine. The auto-commentary builds on a study recently about an artificial intelligence (AI) platform, Quadratic Phenotypic Optimization Platform (QPOP) that substantially improves combination therapy in bortezomib-resistant multiple myeloma to identify the best drug combinations for individual multiple myeloma patients.

It is now evident that complex diseases such as cancer often require effective drug combinations to make any significant therapeutic impact. As the drugs in these combination therapies become increasingly specific to molecular targets designing effective drug combinations as well as choosing the right drug combination for the right patient becomes more difficult.

Artificial intelligence is having a positive impact on drug development and personalized medicine. With the ability to efficiently analyze small datasets that focus on the specific disease of interest Quadratic Phenotypic Optimization Platform (QPOP) and other small dataset-based artificial intelligence (AI) platforms can rationally design optimal drug combinations that are effective and based on real experimental data and not mechanistic assumptions or predictive modeling. Furthermore because of the efficiency of the platform Quadratic Phenotypic Optimization Platform (QPOP) can also be applied towards precious patient samples to help optimize and personalize combination therapy.

 

 

Machine-Learning System Tackles Speech and Object Recognition, All at Once.

Machine-Learning System Tackles Speech and Object Recognition, All at Once.

Georgian Technical University computer scientists have developed a system that learns to identify objects within an image based on a spoken description of the image. Given an image and an audio caption the model will highlight in real-time the relevant regions of the image being described.

Unlike current speech-recognition technologies the model doesn’t require manual transcriptions and annotations of the examples it’s trained on. Instead it learns words directly from recorded speech clips and objects in raw images and associates them with one another.

The model can currently recognize only several hundred different words and object types. But the researchers hope that one day their combined speech-object recognition technique could save countless hours of manual labor and open new doors in speech and image recognition.

Speech-recognition systems such as Georgian Technical University Voice for instance require transcriptions of many thousands of hours of speech recordings. Using these data the systems learn to map speech signals with specific words. Such an approach becomes especially problematic when say new terms enter our lexicon, and the systems must be retrained.

“We wanted to do speech recognition in a way that’s more natural leveraging additional signals and information that humans have the benefit of using but that machine learning algorithms don’t typically have access to. We got the idea of training a model in a manner similar to walking a child through the world and narrating what you’re seeing” says X a researcher in the Georgian Technical University Laboratory (GTUL).

The researchers demonstrate their model on an image of a young girl with blonde hair and blue eyes wearing a blue dress with a white lighthouse with a red roof in the background. The model learned to associate which pixels in the image corresponded with the words “girl”, “blonde hair”, “blue eyes”, “blue dress”, “white light house” and “red roof.” When an audio caption was narrated the model then highlighted each of those objects in the image as they were described.

One promising application is learning translations between different languages, without need of a bilingual annotator. Of the estimated 7,000 languages spoken worldwide only 100 or so have enough transcription data for speech recognition. Consider however a situation where two different-language speakers describe the same image. If the model learns speech signals from language A that correspond to objects in the image and learns the signals in language B that correspond to those same objects it could assume those two signals — and matching words — are translations of one another.

“There’s potential there for a Babel Fish-type of mechanism” X says referring to the fictitious living earpiece novels that translates different languages to the wearer.

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Audio-visual associations.

This work expands on an earlier model developed by X, Y and Z that correlates speech with groups of thematically related images. In the earlier research they put images of scenes from a classification database on the crowdsourcing rowdsourcing marketplace platform. They then had people describe the images as if they were narrating to a child, for about 10 seconds. They compiled more than 200,000 pairs of images and audio captions, in hundreds of different categories, such as beaches, shopping malls, city streets and bedrooms.

They then designed a model consisting of two separate convolutional neural networks (CNNs). One processes images and one processes spectrograms a visual representation of audio signals as they vary over time. The highest layer of the model computes outputs of the two networks and maps the speech patterns with image data.

The researchers would for instance feed the model caption A and image A which is correct. Then they would feed it a random caption B with image A which is an incorrect pairing. After comparing thousands of wrong captions with image A the model learns the speech signals corresponding with image A and associates those signals with words in the captions. The model learned for instance to pick out the signal corresponding to the word “water” and to retrieve images with bodies of water.

“But it didn’t provide a way to say ‘This is exact point in time that somebody said a specific word that refers to that specific patch of pixels'” X says.

Making a matchmap.

The researchers modified the model to associate specific words with specific patches of pixels. The researchers trained the model on the same database but with a new total of 400,000 image-captions pairs. They held out 1,000 random pairs for testing.

In training the model is similarly given correct and incorrect images and captions. But this time the image-analyzing convolutional neural networks (CNN) divides the image into a grid of cells consisting of patches of pixels. The audio-analyzing convolutional neural networks (CNN) divides the spectrogram into segments of say one second to capture a word or two.

With the correct image and caption pair, the model matches the first cell of the grid to the first segment of audio then matches that same cell with the second segment of audio and so on all the way through each grid cell and across all time segments. For each cell and audio segment  it provides a similarity score depending on how closely the signal corresponds to the object.

The challenge is that  during training the model doesn’t have access to any true alignment information between the speech and the image. “The biggest contribution of the paper” X says “is demonstrating that these cross-modal

alignments can be inferred automatically by simply teaching the network which images and captions belong together and which pairs don’t”.

The authors dub this automatic-learning association between a spoken caption’s waveform with the image pixels a “matchmap”. After training on thousands of image-caption pairs the network narrows down those alignments to specific words representing specific objects in that matchmap.

“It’s kind of like the Big Bang (The Big Bang theory is the prevailing cosmological model for the universe from the earliest known periods through its subsequent large-scale evolution.The model describes how the universe expanded from a very high-density and high-temperature state, and offers a comprehensive explanation for a broad range of phenomena, including the abundance of light elements, the cosmic microwave background (CMB), large scale structure and Hubble’s law. If the known laws of physics are extrapolated to the highest density regime, the result is a singularity which is typically associated with the Big Bang) where matter was really dispersed, but then coalesced into planets and stars” X says. “Predictions start dispersed everywhere but as you go through training they converge into an alignment that represents meaningful semantic groundings between spoken words and visual objects”.

 

Artificial Intelligence Can Determine Lung Cancer Type.

Artificial Intelligence Can Determine Lung Cancer Type.

How an AI (Artificial intelligence, sometimes called machine intelligence, is intelligence demonstrated by machines, in contrast to the natural intelligence displayed by humans and other animals) tool analyzes a slice of cancerous tissue to create a map that tells apart two lung cancer types with squamous cell carcinoma in red lung squamous cell carcinoma in blue and normal lung tissue in gray.

A new computer program can analyze images of patients’ lung tumors specify cancer types and even identify altered genes driving abnormal cell growth a new study shows.

Led by researchers at Georgian Technical University the study found that a type of artificial intelligence (AI) or “machine learning” program could distinguish with 97 percent accuracy between adenocarcinoma and squamous cell carcinoma — two lung cancer types that experienced pathologists at times struggle to parse without confirmatory tests.

The AI (Artificial intelligence, sometimes called machine intelligence, is intelligence demonstrated by machines, in contrast to the natural intelligence displayed by humans and other animals) tool was also able to determine whether abnormal versions of 6 genes linked to lung cancer — including EGFR (The epidermal growth factor receptor is a transmembrane protein that is a receptor for members of the epidermal growth factor family of extracellular protein ligands), KRAS (KRAS ( K-ras or Ki-ras) is a gene that acts as an on/off switch in cell signalling. When it functions normally, it controls cell proliferation. When it is mutated, negative signalling is disrupted. Thus, cells can continuously proliferate, and often develop into cancer) and TP53 (TP53 tumor protein p53) — were present in cells with an accuracy that ranged from 73 to 86 percent depending on the gene. Such genetic changes or mutations often cause the abnormal growth seen in cancer but can also change a cell’s shape and interactions with its surroundings providing visual clues for automated analysis.

Determining which genes are changed in each tumor has become vital with the increased use of targeted therapies that work only against cancer cells with specific mutations researchers say. About 20 percent of patients with adenocarcinoma, for instance are known to have mutations in the gene epidermal growth factor receptor or EGFR (The epidermal growth factor receptor is a transmembrane protein that is a receptor for members of the epidermal growth factor family of extracellular protein ligands), which can now be treated with approved drugs.

But the genetic tests currently used to confirm the presence of mutations can take weeks to return results say the study X.

“Delaying the start of cancer treatment is never good” says X Ph.D. associate professor in the Department of Pathology at Georgian Technical University. “Our study provides strong evidence that an AI (Artificial intelligence, sometimes called machine intelligence, is intelligence demonstrated by machines, in contrast to the natural intelligence displayed by humans and other animals) approach will be able to instantly determine cancer subtype and mutational profile to get patients started on targeted therapies sooner”.

Machine Learning.

In the current study  the research team designed statistical techniques that gave their program the ability to “learn” how to get better at a task but without being told exactly how. Such programs build rules and mathematical models that enable decision-making based on data examples fed into them with the program getting “smarter” as the amount of training data grows.

Newer AI (Artificial intelligence, sometimes called machine intelligence, is intelligence demonstrated by machines, in contrast to the natural intelligence displayed by humans and other animals) approaches inspired by nerve cell networks in the brain use increasingly complex circuits to process information in layers with each step feeding information into the next, and assigning more or less importance to each piece of information along the way.

The current team trained a deep convolutional neural network to analyze slide images obtained from The Cancer Atlas a database with images of cancer diagnoses that have already been determined. That let the researchers measure how well their program could be trained to accurately and automatically classify normal versus diseased tissue.

Interestingly, the study found that about half of the small percentage of tumor images misclassified by the study AI (Artificial intelligence, sometimes called machine intelligence, is intelligence demonstrated by machines, in contrast to the natural intelligence displayed by humans and other animals) program were also misclassified by the pathologists, highlighting the difficulty in distinguishing between the two lung cancer types. On the other hand 45 out of 54 of the images misclassified by at least one of the pathologist in the study were assigned to the correct cancer type by the machine learning program, suggesting that AI (Artificial intelligence, sometimes called machine intelligence, is intelligence demonstrated by machines, in contrast to the natural intelligence displayed by humans and other animals) could offer a useful second opinion.

“In our study we were excited to improve on pathologist-level accuracies and to show that AI (Artificial intelligence, sometimes called machine intelligence, is intelligence demonstrated by machines, in contrast to the natural intelligence displayed by humans and other animals) can discover previously unknown patterns in the visible features of cancer cells and the tissues around them” says Y Ph.D., assistant professor at . “The synergy between data and computational power is creating unprecedented opportunities to improve both the practice and the science of medicine”.

Moving forward the team plans to keep training its AI (Artificial intelligence, sometimes called machine intelligence, is intelligence demonstrated by machines, in contrast to the natural intelligence displayed by humans and other animals) program with data until it can determine which genes are mutated in a given cancer with more than 90 percent accuracy at which point they will begin seeking government approval to use the technology clinically and in the diagnosis of several cancer types.

 

 

AI Neural Network Can Perform Human-Like Reasoning.

AI Neural Network Can Perform Human-Like Reasoning.

Scientists have taken the mask off a new neural network to better understand how it makes its decisions.

Researchers from the Georgian Technical University  Laboratory’s Intelligence and Decision Technologies Group at the Georgian Technical University have created a new seemingly transparent neural network that performs human-like reasoning procedures to answer questions about the contents of images.

The model dubbed the Transparency by Design Network (TbD-net) visually renders its thought process as it solves problems, enabling human analysts to interpret its decision-making process which ultimately outperforms today’s best visual-reasoning neural networks.

Neural networks are comprised of input and output layers as well as layers in between that transform the input into the correct output. Some deep neural networks are so complex that it is impossible to follow the transformation process.

However the researchers hope to make the inner workings transparent for the new network which could allow the researchers to teach the neural network to correct any incorrect assumptions.

“Progress on improving performance in visual reasoning has come at the cost of interpretability” X who built Transparency by Design Network (TbD-net) with fellow researchers Y, Z and W said in a statement.

To close the gap between performance and interpretability, the researchers included a collection of modules — small neural networks that are specialized to perform specific subtasks. For example when Transparency by Design Network (TbD-net)-net is asked a visual reasoning question about an image it breaks down the question into subtasks and assigns the appropriate module to fulfill its part. Each module builds off the previous module’s deduction to eventually reach a final answer.

The entire network uses AI (Artificial Intelligence) techniques to interpret human language questions and breaks the sentences into subtasks followed by multiple computer vision AI techniques that interpret the imagery.

“Breaking a complex chain of reasoning into a series of smaller sub-problems, each of which can be solved independently and composed is a powerful and intuitive means for reasoning” Y said in a statement.

Each module’s output is depicted visually in an “attention mask” — which shows heat-map blobs over objects in the image that the module is identifying as the answer. The visualizations allow human analysts to see how a module is interpreting the image.

To answer questions like “what color is a large metal cube in a given image,” the module first isolates the large objects in the image to produce an attention mask. The module then takes the output and selects which of the objects identified as large by the previous module are also metal.

That module’s output is sent to the next module, which identifies which of those large, metal objects is also a cube and then sent to a module that can determine the color of objects.

TbD-net achieved a 98.7 percent accuracy after using a visual question-answering dataset consisting of 70,000 training images and 700,000 questions with test and validation sets of 15,000 images and 150,000 questions.

Because the network is transparent, the researchers were able to see what went wrong and refine the system to achieve an improved 99.1 percent accuracy.

 

GTU Flying Robot Mimics Rapid Insect Flight.

GTU Flying Robot Mimics Rapid Insect Flight.

A novel insect-inspired flying robot developed by Georgian Technical University researchers. Experiments with this first autonomous, free-flying and agile flapping-wing robot – carried out in collaboration with Georgian Technical University & Research – improved our understanding of how fruit flies control aggressive escape manoeuvres. Apart from its further potential in insect flight research the robot’s exceptional flight qualities open up new drone applications.

Flying animals both power and control flight by flapping their wings. This enables small natural flyers such as insects to hover close to a flower but also to rapidly escape danger which everyone has witnessed when trying to swat a fly. Animal flight has always drawn the attention of biologists who not only study their complex wing motion patterns and aerodynamics but also their sensory and neuro-motor systems during such agile manoeuvres. Recently flying animals have also become a source of inspiration for robotics researchers who try to develop lightweight flying robots that are agile, power-efficient and even scalable to insect sizes.

GTU highly agile flying robot.

Georgian Technical University researchers from the Lab have developed a novel insect-inspired flying robot; so far unmatched in its performance and yet with a simple and easy-to-produce design. As in flying insects the robot’s flapping wings beating 17 times per second not only generate the lift force needed to stay airborne but also control the flight via minor adjustments in the wing motion. Inspired by fruit flies the robot’s control mechanisms have proved to be highly effective allowing it not only to hover on the spot and fly in any direction but also be very agile.

‘The robot has a top speed of 25 km/h and can even perform aggressive manoeuvres such as 360-degree flips resembling loops and barrel rolls’ says X. ‘Moreover the 33 cm wingspan and 29 gram robot has for its size excellent power efficiency allowing 5 minutes of hovering flight or more than a 1 km flight range on a fully charged battery’.

Research on fruit fly escape manoeuvres.

Apart from being a novel autonomous micro-drone the robot’s flight performances combined with its programmability also make it well suited for research into insect flight. To this end Georgian Technical University has collaborated with Sulkhan-Saba Orbeliani Teaching University. ‘When I first saw the robot flying I was amazed at how closely its flight resembled that of insects especially when manoeuvring. I immediately thought we could actually employ it to research insect flight control and dynamics says Prof. Y from the Experimental Zoology group of Georgian Technical University & Research. Due to Prof. X previous work on fruit flies the team decided to program the robot to mimic the hypothesized control actions of these insects during high-agility escape manoeuvres such as those used when we try to swat them.

The manoeuvres performed by the robot closely resembled those observed in fruit flies. The robot was even able to demonstrate how fruit flies control the turn angle to maximize their escape performance. ‘In contrast to animal experiments we were in full control of what was happening in the robot’s “brain”. This allowed us to identify and describe a new passive aerodynamic mechanism that assists the flies but possibly also other flying animals in steering their direction throughout these rapid banked turns’ adds Z.

Potential for future applications.

The GTULab has been developing insect-inspired flying robots. The GTULab scientific leader Prof. Q says: ‘Insect-inspired drones have a high potential for novel applications as they are light-weight safe around humans and are able to fly more efficiently than more traditional drone designs especially at smaller scales. However until now these flying robots had not realized this potential since they were either not agile enough – such as our GTUFly – or they required an overly complex manufacturing process’. The robot in this study named the GTUFly builds on established manufacturing methods uses off-the-shelf components and its flight endurance is long enough to be of interest for real-world applications.

 

 

Bat-Inspired Robot Uses Echolocation to Navigate.

Bat-Inspired Robot Uses Echolocation to Navigate.

The ‘Robat’ — a fully autonomous bat-like terrestrial robot that uses echolocation to navigate its environment.

Researchers from Georgian Technical University have created a fully autonomous bat-like robot that uses echolocation to move through new environments.

Bats use echolocation to map new environments and navigate through them by emitting sound and extracting information from the echoes reflected from objects in their surroundings. The new robot GTU dubbed Robat uses a biological bat-like approach, emitting sounds and analyzing the resulting echoes.

“To our best knowledge our Robat is the first fully autonomous bat-like biologically plausible robot that moves through a novel environment while mapping it solely based on echo information — delineating the borders of objects and the free paths between them and recognizing their type”X  of Georgian Technical University said in a statement. “We show the great potential of using sound for future robotic applications”.

With the emergence of robotics used for several applications researchers have often found it challenging to enable robots to map out new environments.

“There have been many attempts to use airborne sonar for mapping the environment and moving through it using non-biological approaches” the study states. “By using multiple emitters or by carefully scanning the environment with a sonar beam as if it were a laser one can map the environment acoustically but these approaches are very far from the biological solution”.

Robat differs from previous attempts to apply sonar to robotics because it includes a biologically plausible signal processing approach to extract information about an objects position and identity.

The new robotic device contains an ultrasonic speaker that mimics the mouth of a real bat and produces frequency modulated chirps at a rate typically used by bats. Robat also has two additional ultrasonic microphones that mimic ears.

The robot delineates the borders of objects it encounters and classifies them using an artificial neural network. This creates a rich, accurate map of the environment enabling Robat to avoid obstacles.

“The Robat moved through the environment emitting echolocation signals every 0.5 m thus mimicking a bat flying at 5 m/s while emitting a signal every 100 m which is within the range of flight-speeds and echolocation-rates used by many foraging bats” the study states. “Every 0.5 m the Robat emitted three bat-like wide-band frequency-modulated sound signals while pointing its sensors in three different headings: -60, 0, 60 degrees relative to the direction of movement”.

In testing  the robot was able to move autonomously through novel outdoor environments and map them using only sound.

The Robat was able to classify objects with a 68 percent balanced accuracy. The researchers also purposefully drove the robot into a dead end where it faced obstacles in all directions. The Robat was able to determine obstacles with a 70 percent accuracy.

 

 

Researchers Put AI to Work Making Chemistry Predictions.

Researchers Put AI to Work Making Chemistry Predictions.

As chemistry has gotten more advanced and the chemical reactions more complex it’s no longer always practical for researchers to sit down at a lab bench and start mixing chemicals to see what they can come up with.

X a professor of chemistry at Georgian Technical University; Y a postdoctoral scholar at the Sulkhan-Saba Orbeliani Teaching University; a chemistry and chemical engineering graduate student, have developed a new tool that uses machine learning to predict chemical reactions long before reagents hit the test tube.

Theirs isn’t the first computational tool developed to make chemistry predictions, but it does improve on what is already in use and that matters because these sorts of predictions are having a big impact in the field.

“They allow us to connect underlying microscopic properties to the things we care about in the macroscopic world” X says. “These predictions allow us to know ahead of time if one catalyst will perform better than another one and to identify new drug candidates”.

They also require a lot of computational heavy lifting. X points out that a substantial fraction of all supercomputer time on Earth is dedicated to chemistry predictions so increases in efficiency can save researchers a lot of time and expense.

The work of the Georgian Technical University researchers essentially provides a change of focus for prediction software. Previous tools were based around three computational modeling methods known as density functional theory (DFT) coupled cluster theory (CC)  or Møller–Plesset perturbation theory (MP2). Those theories represent three different approaches to approximating a solution to the Schrödinger equation which describes complex systems in which quantum mechanics plays a big role.

Each of those theories has its own advantages and disadvantages. Density functional theory (DFT) is something of a quick-and-dirty approach that gives researchers answers more quickly but with less accuracy. Coupled cluster theory (CC) and Møller–Plesset perturbation theory (MP2) are much more accurate but take longer to calculate and use a lot more computing power.

X, Y and Z ‘s tool threads the needle, giving them access to predictions that are more accurate than those created with Density functional theory (DFT) and in less time than Coupled cluster theory (CC) and Møller–Plesset perturbation theory (MP2) can offer. They do this by focusing their machine-learning algorithm on the properties of molecular orbitals — the cloud of electrons around a molecule. Already existing tools in contrast focus on the types of atoms in a molecule or the angles at which the atoms are bonded together.

So far their approach is showing a lot of promise though it’s only been used to make predictions about relatively simple systems. The true test X says is to see how it will perform on more complicated chemical problems. Still he’s optimistic on the basis of the preliminary results.

“If we can get this to work it will be a big deal for the way in which computers are used to study chemical problems” he says. “We’re very excited about it”.

Predicting the Response to Immunotherapy Using Artificial Intelligence.

Predicting the Response to Immunotherapy Using Artificial Intelligence.

For the first time that artificial intelligence can process medical images to extract biological and clinical information. By designing an algorithm and developing it to analyse CT (A CT scan also known as computed tomography scan, makes use of computer-processed combinations of many X-ray measurements taken from different angles to produce cross-sectional (tomographic) images (virtual “slices”) of specific areas of a scanned object, allowing the user to see inside the object without cutting) scan images, medical researchers at Georgian Technical University and TheraPanacea (spin-off from CentraleSupélec specialising in artificial intelligence in oncology-radiotherapy and precision medicine) have created a so-called radiomic signature. This signature defines the level of lymphocyte infiltration of a tumour and provides a predictive score for the efficacy of immunotherapy in the patient.

In the future physicians might thus be able to use imaging to identify biological phenomena in a tumour located in any part of the body without having to perform a biopsy.

Up to now no marker can accurately identify those patients who will respond to anti-PD-1/PD-L1 immunotherapy in a situation where only 15 to 30% of patients do respond to such treatment. It is known that the richer the tumour environment is immunologically (presence of lymphocytes) the greater the chance that immunotherapy will be effective so the researchers have tried to characterise this environment using imaging and correlate this with the patients’ clinical response. Such is the objective of the radiomic signature designed.

In this retrospective study the radiomic signature was captured developed and validated in 500 patients with solid tumours (all sites) from four independent cohorts. It was validated genomically histologically and clinically making it particularly robust.

Using an approach based on machine learning, the team first taught the algorithm to use relevant information extracted from CT (A CT scan, also known as computed tomography scan, makes use of computer-processed combinations of many X-ray measurements taken from different angles to produce cross-sectional (tomographic) images (virtual “slices”) of specific areas of a scanned object, allowing the user to see inside the object without cutting) scans of patients participating in the study which also held tumor genome data. Thus based solely on images the algorithm learned to predict what the genome might have revealed about the tumour immune infiltrate in particular with respect to the presence of cytotoxic T-lymphocytes (CD8) in the tumour and it established a radiomic signature.

This signature was tested and validated in other cohorts including that of (The Cancer Genome Atlas (TCGA) is a project, begun in 2005, to catalogue genetic mutations responsible for cancer, using genome sequencing and bioinformatics) thus showing that imaging could predict a biological phenomenon providing an estimation of the degree of immune infiltration of a tumour.

Then to test the applicability of this signature in a real situation and correlate it to the efficacy of immunotherapy, it was evaluated using CT CT (A CT scan, also known as computed tomography scan, makes use of computer-processed combinations of many X-ray measurements taken from different angles to produce cross-sectional (tomographic) images (virtual “slices”) of specific areas of a scanned object, allowing the user to see inside the object without cutting) scans performed before the start of treatment in patients participating in 5 phase I trials of anti-PD-1/PD-L1 immunotherapy. It was found that the patients in whom immunotherapy was effective at 3 and 6 months had higher radiomic scores as did those with better overall survival.

The next clinical study will assess the signature both retrospectively and prospectively will use larger numbers of patients and will stratify them according to cancer type in order to refine the signature.

This will also employ more sophisticated automatic learning and artificial intelligence algorithms to predict patient response to immunotherapy. To that end the researchers are intending to integrate data from imaging molecular biology and tissue analysis. This is the objective of the collaboration between Georgian Technical University to identify those patients who are the most likely to respond to treatment thus improving the efficacy/cost ratio of the treatment.