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KAIST’s Reliability-Aware AI Opens Path to Faster Cathode Design and Next-Generation Batteries
< (From front left) Professor Seungbum Hong, Professor EunAe Cho (From back left) Chaeyul Kang, Benediktus Madika, Jung Hyeon Moon, Taemin Park (Top) JooSung Shim >
The power that makes electric vehicles travel further and smartphones last longer comes from battery materials. Among them, the core material that directly determines the performance and lifespan of a battery is the cathode material. What if artificial intelligence could replace the numerous experiments required for battery material development? KAIST's research team has developed an artificial intelligence (AI) framework that presents both the particle size of cathode materials and prediction reliability even in situations where experimental data is insufficient, opening the possibility of expansion to next-generation energy technologies such as all-solid-state batteries.
KAIST announced on January 26th that a research team led by Professor Seungbum Hong of the Department of Materials Science and Engineering, in joint research with Professor EunAe Cho's team, has developed a machine learning framework that accurately predicts the particle size of battery cathode materials even when experimental data is incomplete and provides the degree of reliability of the results.
The cathode material inside the battery is the core material that allows lithium-ion batteries to store and use energy. Currently, the most widely used cathode material for electric vehicle batteries is an NCM-based metal oxide mixed with nickel (Ni), cobalt (Co), and manganese (Mn), which greatly affects the battery's lifespan, charging speed, driving range, and safety.
KAIST research team focused on the fact that the size of the very small primary particles that make up these cathode materials is a key factor in determining battery performance. This is because if the particles are too large, performance deteriorates, and conversely, if they are too small, stability problems may occur. Accordingly, the research team developed an AI-based technology that can accurately predict and control particle size.
< Battery performance prediction related (AI-generated image) >
In the past, to determine the particle size, numerous experiments had to be repeated while changing the sintering temperature, time, and material composition. However, in actual research fields, it was difficult to measure all conditions without omission, and experimental data were often missing, which limited the precise analysis of the relationship between process conditions and particle size.
To solve this problem, the research team designed an AI framework that supplements missing data and presents prediction results along with reliability. This framework is characterized by combining a technology (MatImpute) that supplements missing experimental data by considering chemical characteristics and a probabilistic machine learning model (NGBoost) that calculates prediction uncertainty.
This AI model does not stop at simply predicting particle size but also provides information on the extent to which the prediction can be trusted. This serves as an important criterion for deciding under what conditions to actually synthesize materials.
As a result of learning by expanding experimental data, the AI model showed a high prediction accuracy of about 86.6%. According to the analysis, it was found that the cathode material particle size is more significantly affected by process conditions such as baking temperature and time than by material components, which aligns well with existing experimental understanding.
To verify the reliability of the AI prediction, the research team conducted an experiment by newly producing four types of cathode material samples synthesized under manufacturing conditions not included in the existing data while maintaining the same metal component ratio of NCM811 (Ni 80% / Co 10% / Mn 10%) composition. As a result, the particle size predicted by the AI almost matched the actual microscopic measurement results, and most of the errors were 0.13 micrometers (μm) or less, which is much smaller than the thickness of a human hair. In particular, the actual experimental results were included within the prediction uncertainty range presented by the AI, confirming that not only the predicted value but also its reliability was valid.
< Distribution shift condition experiment verification using 4 types of samples >
This study is significant in that it has opened a way to find conditions with a high probability of success first without performing all experiments in battery research. Through this, it is expected to speed up the development of battery materials and significantly reduce unnecessary experiments and costs.
Professor Seungbum Hong said, "The key is that the AI presents not only the predicted value but also how much the result can be trusted," and added, "It will be of practical help in designing next-generation battery materials more quickly and efficiently."
In this study, Benediktus Madika, a doctoral student in the Department of Materials Science and Engineering, participated as the first author, and it was published on October 8, 2025, in 'Advanced Science', an internationally prestigious academic journal in the field of materials science and chemical engineering.
※ Paper Title: Uncertainty-Quantified Primary Particle Size Prediction in Li-Rich NCM Materials via Machine Learning and Chemistry-Aware Imputation, DOI: https://doi.org/10.1002/advs.202515694
Meanwhile, this research was conducted by researchers Benediktus Madika, Chaeyul Kang, JooSung Shim, Taemin Park, Jung Hyeon Moon, and the research team of Professor EunAe Cho and Professor Seungbum Hong, and was conducted with support from the Ministry of Science and ICT (MSIT) National Research Foundation of Korea (NRF) Future Convergence Technology Pioneer (Strategic) (Project No. RS-2023-00247245).
< Battery performance prediction (AI-generated image) >
2026.01.26 View 1992 -
Approaches to Human-Robot Interaction Using Biosignals
<(From left) Dr. Hwa-young Jeong, Professor Kyung-seo Park, Dr. Yoon-tae Jeong, Dr. Ji-hoon Seo, Professor Min-kyu Je, Professor Jung Kim >
A joint research team led by Professor Jung Kim of KAIST Department of Mechanical Engineering and Professor Min-kyu Je of the Department of Electrical and Electronic Engineering recently published a review paper on the latest trends and advancements in intuitive Human-Robot Interaction (HRI) using bio-potential and bio-impedance in the internationally renowned academic journal 'Nature Reviews Electrical Engineering'.
This review paper is the result of a collaborative effort by Dr. Kyung-seo Park (DGIST, co-first author), Dr. Hwa-young Jeong (EPFL, co-first author), Dr. Yoon-tae Jeong (IMEC), and Dr. Ji-hoon Seo (UCSD), all doctoral graduates from the two laboratories. Nature Reviews Electrical Engineering is a review specialized journal in the field of electrical, electronic, and artificial intelligence technology, newly launched by Nature Publishing Group last year. It is known to invite world-renowned scholars in the field through strict selection criteria. Professor Jung Kim's research team's paper, titled "Using bio-potential and bio-impedance for intuitive human-robot interaction," was published on July 18, 2025. (DOI: https://doi.org/10.1038/s44287-025-00191-5)
This review paper explains how biosignals can be used to quickly and accurately detect movement intentions and introduces advancements in movement prediction technology based on neural signals and muscle activity. It also focuses on the crucial role of integrated circuits (ICs) in maximizing low-noise performance and energy efficiency in biosignal sensing, covering thelatest development trends in low-noise, low-power designs for accurately measuring bio-potential and impedance signals.
The review emphasizes the importance of hybrid and multi-modal sensing approaches, presenting the possibility of building robust, intuitive, and scalable HRI systems. The research team stressed that collaboration between sensor and IC design fields is essential for the practical application of biosignal-based HRI systems and stated that interdisciplinary collaboration will play a significant role in the development of next-generation HRI technology. Dr. Hwa-young Jeong, a co-first author of the paper, presented the potential of bio-potential and impedance signals to make human-robot interaction more intuitive and efficient, predicting that it will make significant contributions to the development of HRI technologies such as rehabilitation robots and robotic prostheses using biosignals in the future. This research was supported by several research projects, including the Human Plus Project of the National Research Foundation of Korea.
2025.07.24 View 5772 -
KAIST presents strategies for Holotomography in advanced bio research
Measuring and analyzing three-dimensional (3D) images of live cells and tissues is considered crucial in advanced fields of biology and medicine. Organoids, which are 3D structures that mimic organs, are particular examples that significantly benefits 3D live imaging. Organoids provide effective alternatives to animal testing in the drug development processes, and can rapidly determine personalized medicine. On the other hand, active researches are ongoing to utilize organoids for organ replacement.
< Figure 1. Schematic illustration of holotomography compared to X-ray CT. Similar to CT, they share the commonality of measuring the optical properties of an unlabeled specimen in three dimensions. Instead of X-rays, holotomography irradiates light in the visible range, and provides refractive index measurements of transparent specimens rather than absorptivity. While CT obtains three-dimensional information only through mechanical rotation of the irradiating light, holotomography can replace this by applying wavefront control technology in the visible range. >
Organelle-level observation of 3D biological specimens such as organoids and stem cell colonies without staining or preprocessing holds significant implications for both innovating basic research and bioindustrial applications related to regenerative medicine and bioindustrial applications.
Holotomography (HT) is a 3D optical microscopy that implements 3D reconstruction analogous to that of X-ray computed tomography (CT). Although HT and CT share a similar theoretical background, HT facilitates high-resolution examination inside cells and tissues, instead of the human body. HT obtains 3D images of cells and tissues at the organelle level without chemical or genetic labeling, thus overcomes various challenges of existing methods in bio research and industry. Its potential is highlighted in research fields where sample physiology must not be disrupted, such as regenerative medicine, personalized medicine, and infertility treatment.
< Figure 2. Label-free 3D imaging of diverse live cells. Time-lapse image of Hep3B cells illustrating subcellular morphology changes upon H2O2 treatment, followed by cellular recovery after returning to the regular cell culture medium. >
This paper introduces the advantages and broad applicability of HT to biomedical researchers, while presenting an overview of principles and future technical challenges to optical researchers. It showcases various cases of applying HT in studies such as 3D biology, regenerative medicine, and cancer research, as well as suggesting future optical development. Also, it categorizes HT based on the light source, to describe the principles, limitations, and improvements of each category in detail. Particularly, the paper addresses strategies for deepening cell and organoid studies by introducing artificial intelligence (AI) to HT.
Due to its potential to drive advanced bioindustry, HT is attracting interest and investment from universities and corporates worldwide. The KAIST research team has been leading this international field by developing core technologies and carrying out key application researches throughout the last decade.
< Figure 3. Various types of cells and organelles that make up the imaging barrier of a living intestinal organoid can be observed using holotomography. >
This paper, co-authored by Dr. Geon Kim from KAIST Research Center for Natural Sciences, Professor Ki-Jun Yoon's team from the Department of Biological Sciences, Director Bon-Kyoung Koo's team from the Institute for Basic Science (IBS) Center for Genome Engineering, and Dr. Seongsoo Lee's team from the Korea Basic Science Institute (KBSI), was published in 'Nature Reviews Methods Primers' on the 25th of July. This research was supported by the Leader Grant and Basic Science Research Program of the National Research Foundation, the Hologram Core Technology Development Grant of the Ministry of Science and ICT, the Nano and Material Technology Development Project, and the Health and Medical R&D Project of the Ministry of Health and Welfare.
2024.07.30 View 11851 -
KAIST presents a microbial cell factory as a source of eco-friendly food and cosmetic coloring
Despite decades of global population growth, global food crisis seems to be at hand yet again because the food productivity is cut severely due to prolonged presence of abnormal weather from intensifying climate change and global food supply chain is deteriorated due to international conflicts such as wars exacerbating food shortages and nutritional inequality around the globe. At the same time, however, as awareness of the environment and sustainability rises, an increase in demand for more eco-friendly and high-quality food and beauty products is being observed not without a sense of irony. At a time like this, microorganisms are attracting attention as a key that can handle this couple of seemingly distant problems.
KAIST (President Kwang-Hyung Lee) announced on the 26th that Kyeong Rok Choi, a research professor of the Bioprocess Research Center and Sang Yup Lee, a Distinguished Professor of the Department of Chemical and Biomolecular Engineering, published a paper titled “Metabolic Engineering of Microorganisms for Food and Cosmetics Production” upon invitation by “Nature Reviews Bioengineering” to be published online published by Nature after peer review.
※ Paper title: Systems metabolic engineering of microorganisms for food and cosmetics production
※ Author information: Kyeong Rok Choi (first author) and Sang Yup Lee (corresponding author)
Systems metabolic engineering is a research field founded by Distinguished Professor Sang Yup Lee of KAIST to more effectively develop microbial cell factories, the core factor of the next-generation bio industry to replace the existing chemical industry that relies heavily on petroleum. By applying a systemic metabolic engineering strategy, the researchers have developed a number of high-performance microbial cell factories that produce a variety of food and cosmetic compounds including natural substances like heme and zinc protoporphyrin IX compounds which can improve the flavor and color of synthetic meat, lycopene and β-carotene which are functional natural pigments that can be widely used in food and cosmetics, and methyl anthranilate, a grape-derived compound widely used to impart grape flavor in food and beverage manufacturing.
In this paper written upon invitation by Nature, the research team covered remarkable cases of microbial cell factory that can produce amino acids, proteins, fats and fatty acids, vitamins, flavors, pigments, alcohols, functional compounds and other food additives used in various foods and cosmetics and the companies that have successfully commercialized these microbial-derived materials Furthermore, the paper organized and presents systems metabolic engineering strategies that can spur the development of industrial microbial cell factories that can produce more diverse food and cosmetic compounds in an eco-friendly way with economic feasibility.
< Figure 1. Examples of production of food and cosmetic compounds using microbial cell factories >
For example, by producing proteins or amino acids with high nutritional value through non-edible biomass used as animal feed or fertilizer through the microbial fermentation process, it will contribute to the increase in production and stable supply of food around the world. Furthermore, by contributing to developing more viable alternative meat, further reducing dependence on animal protein, it can also contribute to reducing greenhouse gases and environmental pollution generated through livestock breeding or fish farming.
In addition, vanillin or methyl anthranilate, which give off vanilla or grape flavor, are widely added to various foods, but natural products isolated and refined from plants are low in production and high in production cost, so in most cases, petrochemicals substances derived from vanillin and methylanthranilic acid are added to food. These materials can also be produced through an eco-friendly and human-friendly method by borrowing the power of microorganisms.
Ethical and resource problems that arise in producing compounds like Calmin (cochineal pigment), a coloring added to various cosmetics and foods such as red lipstick and strawberry-flavored milk, which must be extracted from cochineal insects that live only in certain cacti. and Hyaluronic acid, which is widely consumed as a health supplement, but is only present in omega-3 fatty acids extracted from shark or fish livers, can also be resolved when they can be produced in an eco-friendly way using microorganisms.
KAIST Research Professor Kyeong Rok Choi, the first author of this paper, said, “In addition to traditional fermented foods such as kimchi and yogurt, foods produced with the help of microorganisms like cocoa butter, a base ingredient for chocolate that can only be obtained from fermented cacao beans, and monosodium glutamate, a seasoning produced through microbial fermentation are already familiar to us”. “In the future, we will be able to acquire a wider variety of foods and cosmetics even more easily produced in an eco-friendly and sustainable way in our daily lives through microbial cell factories.” he added.
< Figure 2. Systems metabolic engineering strategy to improve metabolic flow in microbial cell factories >
Distinguished Professor Sang Yup Lee said, “It is engineers’ mission to make the world a better place utilizing science and technology.” and added, “Continuous advancement and active use of systems metabolic engineering will contribute greatly to easing and resolving the problems arising from both the food crisis and the climate change."
This research was carried out as a part of the “Development of Protein Production Technology from Inorganic Substances through Control of Microbial Metabolism System Project” (Project Leader: Kyeong Rok Choi, KAIST Research Professor) of the the Center for Agricultural Microorganism and Enzyme (Director Pahn-Shick Chang) supported by the Rural Development Administration and the “Development of Platform Technologies of Microbial Cell Factories for the Next-generation Biorefineries Project” (Project Leader: Sang Yup Lee, KAIST Distinguished Professor) of the Petroleum-Substitute Eco-friendly Chemical Technology Development Program supported by the Ministry of Science and ICT.
2023.07.28 View 15369 -
Review of organophosphonate nerve agent remediation and sensing chemistry
Professor David Churchill, Dept. of Chemistry, KAIST
Scientists in Daejeon, South Korea and Lexington, Kentucky (USA) have recently published a review on the subject of nerve agent remediation and probing chemistry (Chemical Reviews, DOI:10.1021/cr100193y). This article endeavored to pursue organophosphonate nerve agent chemistry deeply and comprehensively and to reflect that decontamination / sensing and nerve agents / pesticides are quite inextricable: when one tries to degrade nerve agents one also needs to detect what components are still present “downstream,” etc. Nerve agents and many pesticides also share a common generalized organophosphate / -phosphonate structure.
Also, the use of simulant molecules (mimics) and a consideration of the closely related organophosphonate pesticides were also treated comprehensively in the Review. The authors reached back into the literature when developing some sections to make important connections to the contemporary topics of interest. The review also includes industrial insights.
Kibong Kim, Olga G. Tsay and David G. Churchill of the Department of Chemistry at KAIST and David A. Atwood of the Department of Chemistry of the University of Kentucky endeavored to "make a variety of connections in research strategies and (sub-) fields to present what is still possible, fruitful, practical, and necessary and to facilitate a current comprehensive molecular level understanding of organophosphonate degradation and sensing," Churchill says.
The authors feel that for the time being, researchers in varying research areas “can use this manuscript effectively when considering future research directions.”
2011.09.19 View 12233