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Understanding, debating & sharing science since 1869

The Nature Portfolio journals are a collection of multidisciplinary research and reviews journals including:

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Hazard ratio for obesity was modeled according to mean daily step counts and 25th, 50th, and 75th percentile PRS for body mass index. Shaded regions represent 95% CIs. Model is adjusted for age, sex, mean baseline step counts, cancer status, coronary artery disease status, systolic blood pressure, alcohol use, educational level, and a PRS × mean steps interaction term.

Mean daily steps and polygenic risk score (PRS) for higher body mass index are independently associated with hazard for obesity. Hazard ratios model the difference between the 75th and 25th percentiles for continuous variables. CAD indicate coronary artery disease; and SBP, systolic blood pressure.

Each point estimate is indexed to a hazard ratio for obesity of 1.00 (BMI [calculated as weight in kilograms divided by height in meters squared] ≥30). Error bars represent 95% CIs.

eTable. Cumulative Incidence Estimates of Obesity Based on Polygenic Risk Score for Body Mass Index and Mean Daily Steps at 1, 3, and 5 Years

eFigure 1. CONSORT Diagram

eFigure 2. Risk of Incident Obesity Modeled by Mean Daily Step Count and Polygenic Risk Scores Adjusted for Baseline Body Mass Index

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Brittain EL , Han L , Annis J, et al. Physical Activity and Incident Obesity Across the Spectrum of Genetic Risk for Obesity. JAMA Netw Open. 2024;7(3):e243821. doi:10.1001/jamanetworkopen.2024.3821

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Physical Activity and Incident Obesity Across the Spectrum of Genetic Risk for Obesity

  • 1 Division of Cardiovascular Medicine, Vanderbilt University Medical Center, Nashville, Tennessee
  • 2 Center for Digital Genomic Medicine, Department of Medicine, Vanderbilt University Medical Center, Nashville, Tennessee
  • 3 Division of Genetic Medicine, Vanderbilt Genetics Institute, Vanderbilt University Medical Center, Nashville, Tennessee
  • 4 Vanderbilt Institute of Clinical and Translational Research, Vanderbilt University Medical Center, Nashville, Tennessee
  • 5 Department of Medicine, Vanderbilt University Medical Center, Nashville, Tennessee
  • 6 Department of Pharmacology, Vanderbilt University Medical Center, Nashville, Tennessee
  • 7 Department of Biomedical Informatics, Vanderbilt University Medical Center, Nashville, Tennessee
  • 8 Department of Biomedical Engineering, Vanderbilt University Medical Center, Nashville, Tennessee
  • 9 Department of Biostatistics, Vanderbilt University Medical Center, Nashville, Tennessee
  • 10 Department of Psychiatry and Behavioral Sciences, Vanderbilt University Medical Center, Nashville, Tennessee

Question   Does the degree of physical activity associated with incident obesity vary by genetic risk?

Findings   In this cohort study of 3124 adults, individuals at high genetic risk of obesity needed higher daily step counts to reduce the risk of obesity than those at moderate or low genetic risk.

Meaning   These findings suggest that individualized physical activity recommendations that incorporate genetic background may reduce obesity risk.

Importance   Despite consistent public health recommendations, obesity rates in the US continue to increase. Physical activity recommendations do not account for individual genetic variability, increasing risk of obesity.

Objective   To use activity, clinical, and genetic data from the All of Us Research Program (AoURP) to explore the association of genetic risk of higher body mass index (BMI) with the level of physical activity needed to reduce incident obesity.

Design, Setting, and Participants   In this US population–based retrospective cohort study, participants were enrolled in the AoURP between May 1, 2018, and July 1, 2022. Enrollees in the AoURP who were of European ancestry, owned a personal activity tracking device, and did not have obesity up to 6 months into activity tracking were included in the analysis.

Exposure   Physical activity expressed as daily step counts and a polygenic risk score (PRS) for BMI, calculated as weight in kilograms divided by height in meters squared.

Main Outcome and Measures   Incident obesity (BMI ≥30).

Results   A total of 3124 participants met inclusion criteria. Among 3051 participants with available data, 2216 (73%) were women, and the median age was 52.7 (IQR, 36.4-62.8) years. The total cohort of 3124 participants walked a median of 8326 (IQR, 6499-10 389) steps/d over a median of 5.4 (IQR, 3.4-7.0) years of personal activity tracking. The incidence of obesity over the study period increased from 13% (101 of 781) to 43% (335 of 781) in the lowest and highest PRS quartiles, respectively ( P  = 1.0 × 10 −20 ). The BMI PRS demonstrated an 81% increase in obesity risk ( P  = 3.57 × 10 −20 ) while mean step count demonstrated a 43% reduction ( P  = 5.30 × 10 −12 ) when comparing the 75th and 25th percentiles, respectively. Individuals with a PRS in the 75th percentile would need to walk a mean of 2280 (95% CI, 1680-3310) more steps per day (11 020 total) than those at the 50th percentile to have a comparable risk of obesity. To have a comparable risk of obesity to individuals at the 25th percentile of PRS, those at the 75th percentile with a baseline BMI of 22 would need to walk an additional 3460 steps/d; with a baseline BMI of 24, an additional 4430 steps/d; with a baseline BMI of 26, an additional 5380 steps/d; and with a baseline BMI of 28, an additional 6350 steps/d.

Conclusions and Relevance   In this cohort study, the association between daily step count and obesity risk across genetic background and baseline BMI were quantified. Population-based recommendations may underestimate physical activity needed to prevent obesity among those at high genetic risk.

In 2000, the World Health Organization declared obesity the greatest threat to the health of Westernized nations. 1 In the US, obesity accounts for over 400 000 deaths per year and affects nearly 40% of the adult population. Despite the modifiable nature of obesity through diet, exercise, and pharmacotherapy, rates have continued to increase.

Physical activity recommendations are a crucial component of public health guidelines for maintaining a healthy weight, with increased physical activity being associated with a reduced risk of obesity. 2 - 4 Fitness trackers and wearable devices have provided an objective means to capture physical activity, and their use may be associated with weight loss. 5 Prior work leveraging these devices has suggested that taking around 8000 steps/d substantially mitigates risk of obesity. 3 , 4 However, current recommendations around physical activity do not take into account other contributors such as caloric intake, energy expenditure, or genetic background, likely leading to less effective prevention of obesity for many people. 6

Obesity has a substantial genetic contribution, with heritability estimates ranging from 40% to 70%. 7 , 8 Prior studies 9 - 11 have shown an inverse association between genetic risk and physical activity with obesity, whereby increasing physical activity can help mitigate higher genetic risk for obesity. These results have implications for physical activity recommendations on an individual level. Most of the prior work 9 - 11 focused on a narrow set of obesity-associated variants or genes and relied on self-reported physical activity, and more recent work using wearable devices has been limited to 7 days of physical activity measurements. 12 Longer-term capture in large populations will be required to accurately estimate differences in physical activity needed to prevent incident obesity.

We used longitudinal activity monitoring and genome sequencing data from the All of Us Research Program (AoURP) to quantify the combined association of genetic risk for body mass index (BMI; calculated as weight in kilograms divided by height in meters squared) and physical activity with the risk of incident obesity. Activity monitoring was quantified as daily step counts obtained from fitness tracking devices. Genetic risk was quantified by using a polygenic risk score (PRS) from a large-scale genomewide association study (GWAS) of BMI. 13 We quantified the mean daily step count needed to overcome genetic risk for increased BMI. These findings represent an initial step toward personalized exercise recommendations that integrate genetic information.

Details on the design and execution of the AoURP have been published previously. 14 The present study used AoURP Controlled Tier dataset, version 7 (C2022Q4R9), with data from participants enrolled between May 1, 2018, and July 1, 2022. Participants who provided informed consent could share data from their own activity tracking devices from the time their accounts were first created, which may precede the enrollment date in AoURP. We followed the Strengthening the Reporting of Observational Studies in Epidemiology ( STROBE ) reporting guideline. In this study, only the authorized authors who completed All of Us Responsible Conduct of Research training accessed the deidentified data from the Researcher Workbench (a secured cloud-based platform). Since the authors were not directly involved with the participants, institutional review board review was exempted in compliance with AoURP policy.

Activity tracking data for this study came from the Bring Your Own Device program that allowed individuals who already owned a tracking device (Fitbit, Inc) to consent to link their activity data with other data in the AoURP. By registering their personal device on the AoURP patient portal, patients could share all activity data collected since the creation of their personal device account. For many participants, this allowed us to examine fitness activity data collected prior to enrollment in the AoURP. Activity data in AoURP are reported as daily step counts. We excluded days with fewer than 10 hours of wear time to enrich our cohort for individuals with consistently high wear time. The initial personal activity device cohort consisted of 12 766 individuals. Consistent with our prior data curation approach, days with less than 10 hours of wear time, less than 100 steps, or greater than 45 000 steps or for which the participant was younger than 18 years were removed. For time-varying analyses, mean daily steps were calculated on a monthly basis for each participant. Months with fewer than 15 valid days of monitoring were removed.

The analytic cohort included only individuals with a BMI of less than 30 at the time activity monitoring began. The primary outcome was incident obesity, defined as a BMI of 30 or greater documented in the medical record at least 6 months after initiation of activity monitoring. The latter stipulation reduced the likelihood that having obesity predated the beginning of monitoring but had not yet been clinically documented. We extracted BMI values and clinical characteristics from longitudinal electronic health records (EHRs) for the consenting participants who were associated with a health care provider organization funded by the AoURP. The EHR data have been standardized using the Observational Medical Outcomes Partnership Common Data Model. 15 In the AoURP, upon consent, participants are asked to complete the Basics survey, in which they may self-report demographic characteristics such as race, ethnicity, and sex at birth.

We filtered the data to include only biallelic, autosomal single-nucleotide variants (SNVs) that had passed AoURP initial quality control. 16 We then removed duplicate-position SNVs and kept only individual genotypes with a genotype quality greater than 20. We further filtered the SNVs based on their Hardy-Weinberg equilibrium P value (>1.0 × 10 −15 ) and missing rate (<5%) across all samples. Next, we divided the samples into 6 groups (Admixed American, African, East Asian, European, Middle Eastern, and South Asian) based on their estimated ancestral populations 16 , 17 and further filtered the SNVs within each population based on minor allele frequency (MAF) (>0.01), missing rate (<0.02), and Hardy-Weinberg equilibrium P value (>1.0 × 10 −6 ). The SNVs were mapped from Genome Reference Consortium Human Build 38 with coordinates to Build 37. Because the existing PRS models have limited transferability across ancestry groups and to ensure appropriate power of the subsequent PRS analysis, we limited our analysis to the populations who had a sample size of greater than 500, resulting in 5964 participants of European ancestry with 5 515 802 common SNVs for analysis.

To generate principal components, we excluded the regions with high linkage disequilibrium, including chr5:44-51.5 megabase (Mb), chr6:25-33.5 Mb, chr8:8-12 Mb, and chr11:45-57 Mb. We then pruned the remaining SNVs using PLINK, version 1.9 (Harvard University), pairwise independence function with 1-kilobase window shifted by 50 base pairs and requiring r 2 < 0.05 between any pair, resulting in 100 983 SNPs for further analysis. 18 Principal component analysis was run using PLINK, version 1.9. The European ancestry linkage disequilibrium reference panel from the 1000 Genomes Project phase 3 was downloaded, and nonambiguous SNPs with MAF greater than 0.01 were kept in the largest European ancestry GWAS summary statistics of BMI. 13 We manually harmonized the strand-flipping SNPs among the SNP information file, GWAS summary statistics files, and the European ancestry PLINK extended map files (.bim).

We used PRS–continuous shrinkage to infer posterior SNP effect sizes under continuous shrinkage priors with a scaling parameter set to 0.01, reflecting the polygenic architecture of BMI. GWAS summary statistics of BMI measured in 681 275 individuals of European ancestry was used to estimate the SNP weights. 19 The scoring command in PLINK, version 1.9, was used to produce the genomewide scores of the AoURP European individuals with their quality-controlled SNP genotype data and these derived SNP weights. 20 Finally, by using the genomewide scores as the dependent variable and the 10 principal components as the independent variable, we performed linear regression, and the obtained residuals were kept for the subsequent analysis. To check the performance of the PRS estimate, we first fit a generalized regression model with obesity status as the dependent variable and the PRS as the independent variable with age, sex, and the top 10 principal components of genetic ancestry as covariates. We then built a subset logistic regression model, which only uses the same set of covariates. By comparing the full model with the subset model, we measured the incremental Nagelkerke R 2 value to quantify how much variance in obesity status was explained by the PRS.

Differences in clinical characteristics across PRS quartiles were assessed using the Wilcoxon rank sum or Kruskal-Wallis test for continuous variables and the Pearson χ 2 test for categorical variables. Cox proportional hazards regression models were used to examine the association among daily step count (considered as a time-varying variable), PRS, and the time to event for obesity, adjusting for age, sex, mean baseline step counts, cancer status, coronary artery disease status, systolic blood pressure, alcohol use, educational level, and interaction term of PRS × mean steps. We presented these results stratified by baseline BMI and provided a model including baseline BMI in eFigure 2 in Supplement 1 as a secondary analysis due to collinearity between BMI and PRS.

Cox proportional hazards regression models were fit on a multiply imputed dataset. Multiple imputation was performed for baseline BMI, alcohol use, educational status, systolic blood pressure, and smoking status using bootstrap and predictive mean matching with the aregImpute function in the Hmisc package of R, version 4.2.2 (R Project for Statistical Computing). Continuous variables were modeled as restricted cubic splines with 3 knots, unless the nonlinear term was not significant, in which case it was modeled as a linear term. Fits and predictions of the Cox proportional hazards regression models were obtained using the rms package in R, version 4.2.2. The Cox proportional hazards regression assumptions were checked using the cox.zph function from the survival package in R, version 4.2.2.

To identify the combinations of PRS and mean daily step counts associated with a hazard ratio (HR) of 1.00, we used a 100-knot spline function to fit the Cox proportional hazards regression ratio model estimations across a range of mean daily step counts for each PRS percentile. We then computed the inverse of the fitted spline function to determine the mean daily step count where the HR equals 1.00 for each PRS percentile. We repeated this process for multiple PRS percentiles to generate a plot of mean daily step counts as a function of PRS percentiles where the HR was 1.00. To estimate the uncertainty around these estimations, we applied a similar spline function to the upper and lower estimated 95% CIs of the Cox proportional hazards regression model to find the 95% CIs for the estimated mean daily step counts at each PRS percentile. Two-sided P < .05 indicated statistical significance.

We identified 3124 participants of European ancestry without obesity at baseline who agreed to link their personal activity data and EHR data and had available genome sequencing. Among those with available data, 2216 of 3051 (73%) were women and 835 of 3051 (27%) were men, and the median age was 52.7 (IQR, 36.4-62.8) years. In terms of race and ethnicity, 2958 participants (95%) were White compared with 141 participants (5%) who were of other race or ethnicity (which may include Asian, Black or African American, Middle Eastern or North African, Native Hawaiian or Other Pacific Islander, multiple races or ethnicities, and unknown race or ethnicity) ( Table ). The analytic sample was restricted to individuals assigned European ancestry based on the All of Us Genomic Research Data Quality Report. 16 A study flowchart detailing the creation of the analytic dataset is provided in eFigure 1 in Supplement 1 . The BMI-based PRS explained 8.3% of the phenotypic variation in obesity (β = 1.76; P  = 2 × 10 −16 ). The median follow-up time was 5.4 (IQR, 3.4-7.0) years and participants walked a median of 8326 (IQR, 6499-10 389) steps/d. The incidence of obesity over the study period was 13% (101 of 781 participants) in the lowest PRS quartile and 43% (335 of 781 participants) in the highest PRS quartile ( P  = 1.0 × 10 −20 ). We observed a decrease in median daily steps when moving from lowest (8599 [IQR, 6751-10 768]) to highest (8115 [IQR, 6340-10 187]) PRS quartile ( P  = .01).

We next modeled obesity risk stratified by PRS percentile with the 50th percentile indexed to an HR for obesity of 1.00 ( Figure 1 ). The association between PRS and incident obesity was direct ( P  = .001) and linear (chunk test for nonlinearity was nonsignificant [ P  = .07]). The PRS and mean daily step count were both independently associated with obesity risk ( Figure 2 ). The 75th percentile BMI PRS demonstrated an 81% increase in obesity risk (HR, 1.81 [95% CI, 1.59-2.05]; P  = 3.57 × 10 −20 ) when compared with the 25th percentile BMI PRS, whereas the 75th percentile median step count demonstrated a 43% reduction in obesity risk (HR, 0.57 [95% CI, 0.49-0.67]; P  = 5.30 × 10 −12 ) when compared with the 25th percentile step count. The PRS × mean steps interaction term was not significant (χ 2 = 1.98; P  = .37).

Individuals with a PRS at the 75th percentile would need to walk a mean of 2280 (95% CI, 1680-3310) more steps per day (11 020 total) than those at the 50th percentile to reduce the HR for obesity to 1.00 ( Figure 1 ). Conversely, those in the 25th percentile PRS could reach an HR of 1.00 by walking a mean of 3660 (95% CI, 2180-8740) fewer steps than those at the 50th percentile PRS. When assuming a median daily step count of 8740 (cohort median), those in the 75th percentile PRS had an HR for obesity of 1.33 (95% CI, 1.25-1.41), whereas those at the 25th percentile PRS had an obesity HR of 0.74 (95% CI, 0.69-0.79).

The mean daily step count required to achieve an HR for obesity of 1.00 across the full PRS spectrum and stratified by baseline BMI is shown in Figure 3 . To reach an HR of 1.00 for obesity, when stratified by baseline BMI of 22, individuals at the 50th percentile PRS would need to achieve a mean daily step count of 3290 (additional 3460 steps/d); for a baseline BMI of 24, a mean daily step count of 7590 (additional 4430 steps/d); for a baseline BMI of 26, a mean daily step count of 11 890 (additional 5380 steps/d); and for a baseline BMI of 28, a mean daily step count of 16 190 (additional 6350 steps/d).

When adding baseline BMI to the full Cox proportional hazards regression model, daily step count and BMI PRS both remain associated with obesity risk. When comparing individuals at the 75th percentile with those at the 25th percentile, the BMI PRS is associated with a 61% increased risk of obesity (HR, 1.61 [95% CI, 1.45-1.78]). Similarly, when comparing the 75th with the 25th percentiles, daily step count was associated with a 38% lower risk of obesity (HR, 0.62 [95% CI, 0.53-0.72]) (eFigure 2 in Supplement 1 ).

The cumulative incidence of obesity increases over time and with fewer daily steps and higher PRS. The cumulative incidence of obesity would be 2.9% at the 25th percentile, 3.9% at the 50th percentile, and 5.2% at the 75th percentile for PRS in year 1; 10.5% at the 25th percentile, 14.0% at the 50th percentile, and 18.2% at the 75th percentile for PRS in year 3; and 18.5% at the 25th percentile, 24.3% at the 50th percentile, and 30.9% at the 75th percentile for PRS in year 5 ( Figure 4 ). The eTable in Supplement 1 models the expected cumulative incidence of obesity at 1, 3, and 5 years based on PRS and assumed mean daily steps of 7500, 10 000, and 12 500.

We examined the combined association of daily step counts and genetic risk for increased BMI with the incidence of obesity in a large national sample with genome sequencing and long-term activity monitoring data. Lower daily step counts and higher BMI PRS were both independently associated with increased risk of obesity. As the PRS increased, the number of daily steps associated with lower risk of obesity also increased. By combining these data sources, we derived an estimate of the daily step count needed to reduce the risk of obesity based on an individual’s genetic background. Importantly, our findings suggest that genetic risk for obesity is not deterministic but can be overcome by increasing physical activity.

Our findings align with those of prior literature 9 indicating that engaging in physical activity can mitigate genetic obesity risk and highlight the importance of genetic background for individual health and wellness. Using the data from a large population-based sample, Li et al 9 characterized obesity risk by genotyping 12 susceptibility loci and found that higher self-reported physical activity was associated with a 40% reduction in genetic predisposition to obesity. Our study extends these results in 2 important ways. First, we leveraged objectively measured longitudinal activity data from commercial devices to focus on physical activity prior to and leading up to a diagnosis of obesity. Second, we used a more comprehensive genomewide risk assessment in the form of a PRS. Our results indicate that daily step count recommendations to reduce obesity risk may be personalized based on an individual’s genetic background. For instance, individuals with higher genetic risk (ie, 75th percentile PRS) would need to walk a mean of 2280 more steps per day than those at the 50th percentile of genetic risk to have a comparable risk of obesity.

These results suggest that population-based recommendations that do not account for genetic background may not accurately represent the amount of physical activity needed to reduce the risk of obesity. Population-based exercise recommendations may overestimate or underestimate physical activity needs, depending on one’s genetic background. Underestimation of physical activity required to reduce obesity risk has the potential to be particularly detrimental to public health efforts to reduce weight-related morbidity. As such, integration of activity and genetic data could facilitate personalized activity recommendations that account for an individual’s genetic profile. The widespread use of wearable devices and the increasing demand for genetic information from both clinical and direct-to-consumer sources may soon permit testing the value of personalized activity recommendations. Efforts to integrate wearable devices and genomic data into the EHR further support the potential future clinical utility of merging these data sources to personalize lifestyle recommendations. Thus, our findings support the need for a prospective trial investigating the impact of tailoring step counts by genetic risk on chronic disease outcomes.

The most important limitation of this work is the lack of diversity and inclusion only of individuals with European ancestry. These findings will need validation in a more diverse population. Our cohort only included individuals who already owned a fitness tracking device and agreed to link their activity data to the AoURP dataset, which may not be generalizable to other populations. We cannot account for unmeasured confounding, and the potential for reverse causation still exists. We attempted to diminish the latter concern by excluding prevalent obesity and incident cases within the first 6 months of monitoring. Genetic risk was simplified to be specific to increased BMI; however, genetic risk for other cardiometabolic conditions could also inform obesity risk. Nongenetic factors that contribute to obesity risk such as dietary patterns were not available, reducing the explanatory power of the model. It is unlikely that the widespread use of drug classes targeting weight loss affects the generalizability of our results, because such drugs are rarely prescribed for obesity prevention, and our study focused on individuals who were not obese at baseline. Indeed, less than 0.5% of our cohort was exposed to a medication class targeting weight loss (phentermine, orlistat, or glucagonlike peptide-1 receptor agonists) prior to incident obesity or censoring. Finally, some fitness activity tracking devices may not capture nonambulatory activity as well as triaxial accelerometers.

This cohort study used longitudinal activity data from commercial wearable devices, genome sequencing, and clinical data to support the notion that higher daily step counts can mitigate genetic risk for obesity. These results have important clinical and public health implications and may offer a novel strategy for addressing the obesity epidemic by informing activity recommendations that incorporate genetic information.

Accepted for Publication: January 30, 2024.

Published: March 27, 2024. doi:10.1001/jamanetworkopen.2024.3821

Open Access: This is an open access article distributed under the terms of the CC-BY License . © 2024 Brittain EL et al. JAMA Network Open .

Corresponding Author: Evan L. Brittain, MD, MSc ( [email protected] ) and Douglas M. Ruderfer, PhD ( [email protected] ), Vanderbilt University Medical Center, 2525 West End Ave, Suite 300A, Nashville, TN 37203.

Author Contributions: Drs Brittain and Ruderfer had full access to all of the data in the study and take responsibility for the integrity of the data and the accuracy of the data analysis.

Concept and design: Brittain, Annis, Master, Roden, Ruderfer.

Acquisition, analysis, or interpretation of data: Brittain, Han, Annis, Master, Hughes, Harris, Ruderfer.

Drafting of the manuscript: Brittain, Han, Annis, Master, Ruderfer.

Critical review of the manuscript for important intellectual content: All authors.

Statistical analysis: Brittain, Han, Annis, Master.

Obtained funding: Brittain, Harris.

Administrative, technical, or material support: Brittain, Annis, Master, Roden.

Supervision: Brittain, Ruderfer.

Conflict of Interest Disclosures: Dr Brittain reported receiving a gift from Google LLC during the conduct of the study. Dr Ruderfer reported serving on the advisory board of Illumina Inc and Alkermes PLC and receiving grant funding from PTC Therapeutics outside the submitted work. No other disclosures were reported.

Funding/Support: The All of Us Research Program is supported by grants 1 OT2 OD026549, 1 OT2 OD026554, 1 OT2 OD026557, 1 OT2 OD026556, 1 OT2 OD026550, 1 OT2 OD 026552, 1 OT2 OD026553, 1 OT2 OD026548, 1 OT2 OD026551, 1 OT2 OD026555, IAA AOD21037, AOD22003, AOD16037, and AOD21041 (regional medical centers); grant HHSN 263201600085U (federally qualified health centers); grant U2C OD023196 (data and research center); 1 U24 OD023121 (Biobank); U24 OD023176 (participant center); U24 OD023163 (participant technology systems center); grants 3 OT2 OD023205 and 3 OT2 OD023206 (communications and engagement); and grants 1 OT2 OD025277, 3 OT2 OD025315, 1 OT2 OD025337, and 1 OT2 OD025276 (community partners) from the National Institutes of Health (NIH). This study is also supported by grants R01 HL146588 (Dr Brittain), R61 HL158941 (Dr Brittain), and R21 HL172038 (Drs Brittain and Ruderfer) from the NIH.

Role of the Funder/Sponsor: The NIH had no role in the design and conduct of the study; collection, management, analysis, and interpretation of the data; preparation, review, or approval of the manuscript; and decision to submit the manuscript for publication.

Data Sharing Statement: See Supplement 2 .

Additional Contributions: The All of Us Research Program would not be possible without the partnership of its participants.

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Playboy image from 1972 gets ban from ieee computer journals, use of "lenna" image in computer image processing research stretches back to the 1970s..

Benj Edwards - Mar 29, 2024 9:16 pm UTC

Playboy image from 1972 gets ban from IEEE computer journals

On Wednesday, the IEEE Computer Society announced to members that, after April 1, it would no longer accept papers that include a frequently used image of a 1972 Playboy model named Lena Forsén. The so-called " Lenna image ," (Forsén added an extra "n" to her name in her Playboy appearance to aid pronunciation) has been used in image processing research since 1973 and has attracted criticism for making some women feel unwelcome in the field.

Further Reading

In an email from the IEEE Computer Society sent to members on Wednesday, Technical & Conference Activities Vice President Terry Benzel wrote , "IEEE's diversity statement and supporting policies such as the IEEE Code of Ethics speak to IEEE's commitment to promoting an including and equitable culture that welcomes all. In alignment with this culture and with respect to the wishes of the subject of the image, Lena Forsén, IEEE will no longer accept submitted papers which include the 'Lena image.'"

An uncropped version of the 512×512-pixel test image originally appeared as the centerfold picture for the December 1972 issue of Playboy Magazine. Usage of the Lenna image in image processing began in June or July 1973 when an assistant professor named Alexander Sawchuck and a graduate student at the University of Southern California Signal and Image Processing Institute scanned a square portion of the centerfold image with a primitive drum scanner, omitting nudity present in the original image. They scanned it for a colleague's conference paper, and after that, others began to use the image as well.

The original 512×512

The image's use spread in other papers throughout the 1970s, 80s, and 90s , and it caught Playboy's attention, but the company decided to overlook the copyright violations. In 1997, Playboy helped track down Forsén, who appeared at the 50th Annual Conference of the Society for Imaging Science in Technology, signing autographs for fans. "They must be so tired of me ... looking at the same picture for all these years!" she said at the time. VP of new media at Playboy Eileen Kent told Wired , "We decided we should exploit this, because it is a phenomenon."

The image, which features Forsén's face and bare shoulder as she wears a hat with a purple feather, was reportedly ideal for testing image processing systems in the early years of digital image technology due to its high contrast and varied detail. It is also a sexually suggestive photo of an attractive woman, and its use by men in the computer field has garnered criticism over the decades, especially from female scientists and engineers who felt that the image (especially related to its association with the Playboy brand) objectified women and created an academic climate where they did not feel entirely welcome.

Due to some of this criticism, which dates back to at least 1996 , the journal Nature banned the use of the Lena image in paper submissions in 2018.

The comp.compression Usenet newsgroup FAQ document claims that in 1988, a Swedish publication asked Forsén if she minded her image being used in computer science, and she was reportedly pleasantly amused. In a 2019 Wired article , Linda Kinstler wrote that Forsén did not harbor resentment about the image, but she regretted that she wasn't paid better for it originally. "I’m really proud of that picture," she told Kinstler at the time.

Since then, Forsén has apparently changed her mind. In 2019, Creatable and Code Like a Girl created an advertising documentary titled Losing Lena , which was part of a promotional campaign aimed at removing the Lena image from use in tech and the image processing field. In a press release for the campaign and film, Forsén is quoted as saying, "I retired from modelling a long time ago. It’s time I retired from tech, too. We can make a simple change today that creates a lasting change for tomorrow. Let’s commit to losing me."

It seems like that commitment is now being granted. The ban in IEEE publications, which have been historically important journals for computer imaging development, will likely further set a precedent toward removing the Lenna image from common use. In his email, the IEEE's Benzel recommended wider sensitivity about the issue, writing, "In order to raise awareness of and increase author compliance with this new policy, program committee members and reviewers should look for inclusion of this image, and if present, should ask authors to replace the Lena image with an alternative."

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  • Published: 26 March 2024

Predicting and improving complex beer flavor through machine learning

  • Michiel Schreurs   ORCID: orcid.org/0000-0002-9449-5619 1 , 2 , 3   na1 ,
  • Supinya Piampongsant 1 , 2 , 3   na1 ,
  • Miguel Roncoroni   ORCID: orcid.org/0000-0001-7461-1427 1 , 2 , 3   na1 ,
  • Lloyd Cool   ORCID: orcid.org/0000-0001-9936-3124 1 , 2 , 3 , 4 ,
  • Beatriz Herrera-Malaver   ORCID: orcid.org/0000-0002-5096-9974 1 , 2 , 3 ,
  • Christophe Vanderaa   ORCID: orcid.org/0000-0001-7443-5427 4 ,
  • Florian A. Theßeling 1 , 2 , 3 ,
  • Łukasz Kreft   ORCID: orcid.org/0000-0001-7620-4657 5 ,
  • Alexander Botzki   ORCID: orcid.org/0000-0001-6691-4233 5 ,
  • Philippe Malcorps 6 ,
  • Luk Daenen 6 ,
  • Tom Wenseleers   ORCID: orcid.org/0000-0002-1434-861X 4 &
  • Kevin J. Verstrepen   ORCID: orcid.org/0000-0002-3077-6219 1 , 2 , 3  

Nature Communications volume  15 , Article number:  2368 ( 2024 ) Cite this article

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  • Chemical engineering
  • Gas chromatography
  • Machine learning
  • Metabolomics
  • Taste receptors

The perception and appreciation of food flavor depends on many interacting chemical compounds and external factors, and therefore proves challenging to understand and predict. Here, we combine extensive chemical and sensory analyses of 250 different beers to train machine learning models that allow predicting flavor and consumer appreciation. For each beer, we measure over 200 chemical properties, perform quantitative descriptive sensory analysis with a trained tasting panel and map data from over 180,000 consumer reviews to train 10 different machine learning models. The best-performing algorithm, Gradient Boosting, yields models that significantly outperform predictions based on conventional statistics and accurately predict complex food features and consumer appreciation from chemical profiles. Model dissection allows identifying specific and unexpected compounds as drivers of beer flavor and appreciation. Adding these compounds results in variants of commercial alcoholic and non-alcoholic beers with improved consumer appreciation. Together, our study reveals how big data and machine learning uncover complex links between food chemistry, flavor and consumer perception, and lays the foundation to develop novel, tailored foods with superior flavors.

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Introduction

Predicting and understanding food perception and appreciation is one of the major challenges in food science. Accurate modeling of food flavor and appreciation could yield important opportunities for both producers and consumers, including quality control, product fingerprinting, counterfeit detection, spoilage detection, and the development of new products and product combinations (food pairing) 1 , 2 , 3 , 4 , 5 , 6 . Accurate models for flavor and consumer appreciation would contribute greatly to our scientific understanding of how humans perceive and appreciate flavor. Moreover, accurate predictive models would also facilitate and standardize existing food assessment methods and could supplement or replace assessments by trained and consumer tasting panels, which are variable, expensive and time-consuming 7 , 8 , 9 . Lastly, apart from providing objective, quantitative, accurate and contextual information that can help producers, models can also guide consumers in understanding their personal preferences 10 .

Despite the myriad of applications, predicting food flavor and appreciation from its chemical properties remains a largely elusive goal in sensory science, especially for complex food and beverages 11 , 12 . A key obstacle is the immense number of flavor-active chemicals underlying food flavor. Flavor compounds can vary widely in chemical structure and concentration, making them technically challenging and labor-intensive to quantify, even in the face of innovations in metabolomics, such as non-targeted metabolic fingerprinting 13 , 14 . Moreover, sensory analysis is perhaps even more complicated. Flavor perception is highly complex, resulting from hundreds of different molecules interacting at the physiochemical and sensorial level. Sensory perception is often non-linear, characterized by complex and concentration-dependent synergistic and antagonistic effects 15 , 16 , 17 , 18 , 19 , 20 , 21 that are further convoluted by the genetics, environment, culture and psychology of consumers 22 , 23 , 24 . Perceived flavor is therefore difficult to measure, with problems of sensitivity, accuracy, and reproducibility that can only be resolved by gathering sufficiently large datasets 25 . Trained tasting panels are considered the prime source of quality sensory data, but require meticulous training, are low throughput and high cost. Public databases containing consumer reviews of food products could provide a valuable alternative, especially for studying appreciation scores, which do not require formal training 25 . Public databases offer the advantage of amassing large amounts of data, increasing the statistical power to identify potential drivers of appreciation. However, public datasets suffer from biases, including a bias in the volunteers that contribute to the database, as well as confounding factors such as price, cult status and psychological conformity towards previous ratings of the product.

Classical multivariate statistics and machine learning methods have been used to predict flavor of specific compounds by, for example, linking structural properties of a compound to its potential biological activities or linking concentrations of specific compounds to sensory profiles 1 , 26 . Importantly, most previous studies focused on predicting organoleptic properties of single compounds (often based on their chemical structure) 27 , 28 , 29 , 30 , 31 , 32 , 33 , thus ignoring the fact that these compounds are present in a complex matrix in food or beverages and excluding complex interactions between compounds. Moreover, the classical statistics commonly used in sensory science 34 , 35 , 36 , 37 , 38 , 39 require a large sample size and sufficient variance amongst predictors to create accurate models. They are not fit for studying an extensive set of hundreds of interacting flavor compounds, since they are sensitive to outliers, have a high tendency to overfit and are less suited for non-linear and discontinuous relationships 40 .

In this study, we combine extensive chemical analyses and sensory data of a set of different commercial beers with machine learning approaches to develop models that predict taste, smell, mouthfeel and appreciation from compound concentrations. Beer is particularly suited to model the relationship between chemistry, flavor and appreciation. First, beer is a complex product, consisting of thousands of flavor compounds that partake in complex sensory interactions 41 , 42 , 43 . This chemical diversity arises from the raw materials (malt, yeast, hops, water and spices) and biochemical conversions during the brewing process (kilning, mashing, boiling, fermentation, maturation and aging) 44 , 45 . Second, the advent of the internet saw beer consumers embrace online review platforms, such as RateBeer (ZX Ventures, Anheuser-Busch InBev SA/NV) and BeerAdvocate (Next Glass, inc.). In this way, the beer community provides massive data sets of beer flavor and appreciation scores, creating extraordinarily large sensory databases to complement the analyses of our professional sensory panel. Specifically, we characterize over 200 chemical properties of 250 commercial beers, spread across 22 beer styles, and link these to the descriptive sensory profiling data of a 16-person in-house trained tasting panel and data acquired from over 180,000 public consumer reviews. These unique and extensive datasets enable us to train a suite of machine learning models to predict flavor and appreciation from a beer’s chemical profile. Dissection of the best-performing models allows us to pinpoint specific compounds as potential drivers of beer flavor and appreciation. Follow-up experiments confirm the importance of these compounds and ultimately allow us to significantly improve the flavor and appreciation of selected commercial beers. Together, our study represents a significant step towards understanding complex flavors and reinforces the value of machine learning to develop and refine complex foods. In this way, it represents a stepping stone for further computer-aided food engineering applications 46 .

To generate a comprehensive dataset on beer flavor, we selected 250 commercial Belgian beers across 22 different beer styles (Supplementary Fig.  S1 ). Beers with ≤ 4.2% alcohol by volume (ABV) were classified as non-alcoholic and low-alcoholic. Blonds and Tripels constitute a significant portion of the dataset (12.4% and 11.2%, respectively) reflecting their presence on the Belgian beer market and the heterogeneity of beers within these styles. By contrast, lager beers are less diverse and dominated by a handful of brands. Rare styles such as Brut or Faro make up only a small fraction of the dataset (2% and 1%, respectively) because fewer of these beers are produced and because they are dominated by distinct characteristics in terms of flavor and chemical composition.

Extensive analysis identifies relationships between chemical compounds in beer

For each beer, we measured 226 different chemical properties, including common brewing parameters such as alcohol content, iso-alpha acids, pH, sugar concentration 47 , and over 200 flavor compounds (Methods, Supplementary Table  S1 ). A large portion (37.2%) are terpenoids arising from hopping, responsible for herbal and fruity flavors 16 , 48 . A second major category are yeast metabolites, such as esters and alcohols, that result in fruity and solvent notes 48 , 49 , 50 . Other measured compounds are primarily derived from malt, or other microbes such as non- Saccharomyces yeasts and bacteria (‘wild flora’). Compounds that arise from spices or staling are labeled under ‘Others’. Five attributes (caloric value, total acids and total ester, hop aroma and sulfur compounds) are calculated from multiple individually measured compounds.

As a first step in identifying relationships between chemical properties, we determined correlations between the concentrations of the compounds (Fig.  1 , upper panel, Supplementary Data  1 and 2 , and Supplementary Fig.  S2 . For the sake of clarity, only a subset of the measured compounds is shown in Fig.  1 ). Compounds of the same origin typically show a positive correlation, while absence of correlation hints at parameters varying independently. For example, the hop aroma compounds citronellol, and alpha-terpineol show moderate correlations with each other (Spearman’s rho=0.39 and 0.57), but not with the bittering hop component iso-alpha acids (Spearman’s rho=0.16 and −0.07). This illustrates how brewers can independently modify hop aroma and bitterness by selecting hop varieties and dosage time. If hops are added early in the boiling phase, chemical conversions increase bitterness while aromas evaporate, conversely, late addition of hops preserves aroma but limits bitterness 51 . Similarly, hop-derived iso-alpha acids show a strong anti-correlation with lactic acid and acetic acid, likely reflecting growth inhibition of lactic acid and acetic acid bacteria, or the consequent use of fewer hops in sour beer styles, such as West Flanders ales and Fruit beers, that rely on these bacteria for their distinct flavors 52 . Finally, yeast-derived esters (ethyl acetate, ethyl decanoate, ethyl hexanoate, ethyl octanoate) and alcohols (ethanol, isoamyl alcohol, isobutanol, and glycerol), correlate with Spearman coefficients above 0.5, suggesting that these secondary metabolites are correlated with the yeast genetic background and/or fermentation parameters and may be difficult to influence individually, although the choice of yeast strain may offer some control 53 .

figure 1

Spearman rank correlations are shown. Descriptors are grouped according to their origin (malt (blue), hops (green), yeast (red), wild flora (yellow), Others (black)), and sensory aspect (aroma, taste, palate, and overall appreciation). Please note that for the chemical compounds, for the sake of clarity, only a subset of the total number of measured compounds is shown, with an emphasis on the key compounds for each source. For more details, see the main text and Methods section. Chemical data can be found in Supplementary Data  1 , correlations between all chemical compounds are depicted in Supplementary Fig.  S2 and correlation values can be found in Supplementary Data  2 . See Supplementary Data  4 for sensory panel assessments and Supplementary Data  5 for correlation values between all sensory descriptors.

Interestingly, different beer styles show distinct patterns for some flavor compounds (Supplementary Fig.  S3 ). These observations agree with expectations for key beer styles, and serve as a control for our measurements. For instance, Stouts generally show high values for color (darker), while hoppy beers contain elevated levels of iso-alpha acids, compounds associated with bitter hop taste. Acetic and lactic acid are not prevalent in most beers, with notable exceptions such as Kriek, Lambic, Faro, West Flanders ales and Flanders Old Brown, which use acid-producing bacteria ( Lactobacillus and Pediococcus ) or unconventional yeast ( Brettanomyces ) 54 , 55 . Glycerol, ethanol and esters show similar distributions across all beer styles, reflecting their common origin as products of yeast metabolism during fermentation 45 , 53 . Finally, low/no-alcohol beers contain low concentrations of glycerol and esters. This is in line with the production process for most of the low/no-alcohol beers in our dataset, which are produced through limiting fermentation or by stripping away alcohol via evaporation or dialysis, with both methods having the unintended side-effect of reducing the amount of flavor compounds in the final beer 56 , 57 .

Besides expected associations, our data also reveals less trivial associations between beer styles and specific parameters. For example, geraniol and citronellol, two monoterpenoids responsible for citrus, floral and rose flavors and characteristic of Citra hops, are found in relatively high amounts in Christmas, Saison, and Brett/co-fermented beers, where they may originate from terpenoid-rich spices such as coriander seeds instead of hops 58 .

Tasting panel assessments reveal sensorial relationships in beer

To assess the sensory profile of each beer, a trained tasting panel evaluated each of the 250 beers for 50 sensory attributes, including different hop, malt and yeast flavors, off-flavors and spices. Panelists used a tasting sheet (Supplementary Data  3 ) to score the different attributes. Panel consistency was evaluated by repeating 12 samples across different sessions and performing ANOVA. In 95% of cases no significant difference was found across sessions ( p  > 0.05), indicating good panel consistency (Supplementary Table  S2 ).

Aroma and taste perception reported by the trained panel are often linked (Fig.  1 , bottom left panel and Supplementary Data  4 and 5 ), with high correlations between hops aroma and taste (Spearman’s rho=0.83). Bitter taste was found to correlate with hop aroma and taste in general (Spearman’s rho=0.80 and 0.69), and particularly with “grassy” noble hops (Spearman’s rho=0.75). Barnyard flavor, most often associated with sour beers, is identified together with stale hops (Spearman’s rho=0.97) that are used in these beers. Lactic and acetic acid, which often co-occur, are correlated (Spearman’s rho=0.66). Interestingly, sweetness and bitterness are anti-correlated (Spearman’s rho = −0.48), confirming the hypothesis that they mask each other 59 , 60 . Beer body is highly correlated with alcohol (Spearman’s rho = 0.79), and overall appreciation is found to correlate with multiple aspects that describe beer mouthfeel (alcohol, carbonation; Spearman’s rho= 0.32, 0.39), as well as with hop and ester aroma intensity (Spearman’s rho=0.39 and 0.35).

Similar to the chemical analyses, sensorial analyses confirmed typical features of specific beer styles (Supplementary Fig.  S4 ). For example, sour beers (Faro, Flanders Old Brown, Fruit beer, Kriek, Lambic, West Flanders ale) were rated acidic, with flavors of both acetic and lactic acid. Hoppy beers were found to be bitter and showed hop-associated aromas like citrus and tropical fruit. Malt taste is most detected among scotch, stout/porters, and strong ales, while low/no-alcohol beers, which often have a reputation for being ‘worty’ (reminiscent of unfermented, sweet malt extract) appear in the middle. Unsurprisingly, hop aromas are most strongly detected among hoppy beers. Like its chemical counterpart (Supplementary Fig.  S3 ), acidity shows a right-skewed distribution, with the most acidic beers being Krieks, Lambics, and West Flanders ales.

Tasting panel assessments of specific flavors correlate with chemical composition

We find that the concentrations of several chemical compounds strongly correlate with specific aroma or taste, as evaluated by the tasting panel (Fig.  2 , Supplementary Fig.  S5 , Supplementary Data  6 ). In some cases, these correlations confirm expectations and serve as a useful control for data quality. For example, iso-alpha acids, the bittering compounds in hops, strongly correlate with bitterness (Spearman’s rho=0.68), while ethanol and glycerol correlate with tasters’ perceptions of alcohol and body, the mouthfeel sensation of fullness (Spearman’s rho=0.82/0.62 and 0.72/0.57 respectively) and darker color from roasted malts is a good indication of malt perception (Spearman’s rho=0.54).

figure 2

Heatmap colors indicate Spearman’s Rho. Axes are organized according to sensory categories (aroma, taste, mouthfeel, overall), chemical categories and chemical sources in beer (malt (blue), hops (green), yeast (red), wild flora (yellow), Others (black)). See Supplementary Data  6 for all correlation values.

Interestingly, for some relationships between chemical compounds and perceived flavor, correlations are weaker than expected. For example, the rose-smelling phenethyl acetate only weakly correlates with floral aroma. This hints at more complex relationships and interactions between compounds and suggests a need for a more complex model than simple correlations. Lastly, we uncovered unexpected correlations. For instance, the esters ethyl decanoate and ethyl octanoate appear to correlate slightly with hop perception and bitterness, possibly due to their fruity flavor. Iron is anti-correlated with hop aromas and bitterness, most likely because it is also anti-correlated with iso-alpha acids. This could be a sign of metal chelation of hop acids 61 , given that our analyses measure unbound hop acids and total iron content, or could result from the higher iron content in dark and Fruit beers, which typically have less hoppy and bitter flavors 62 .

Public consumer reviews complement expert panel data

To complement and expand the sensory data of our trained tasting panel, we collected 180,000 reviews of our 250 beers from the online consumer review platform RateBeer. This provided numerical scores for beer appearance, aroma, taste, palate, overall quality as well as the average overall score.

Public datasets are known to suffer from biases, such as price, cult status and psychological conformity towards previous ratings of a product. For example, prices correlate with appreciation scores for these online consumer reviews (rho=0.49, Supplementary Fig.  S6 ), but not for our trained tasting panel (rho=0.19). This suggests that prices affect consumer appreciation, which has been reported in wine 63 , while blind tastings are unaffected. Moreover, we observe that some beer styles, like lagers and non-alcoholic beers, generally receive lower scores, reflecting that online reviewers are mostly beer aficionados with a preference for specialty beers over lager beers. In general, we find a modest correlation between our trained panel’s overall appreciation score and the online consumer appreciation scores (Fig.  3 , rho=0.29). Apart from the aforementioned biases in the online datasets, serving temperature, sample freshness and surroundings, which are all tightly controlled during the tasting panel sessions, can vary tremendously across online consumers and can further contribute to (among others, appreciation) differences between the two categories of tasters. Importantly, in contrast to the overall appreciation scores, for many sensory aspects the results from the professional panel correlated well with results obtained from RateBeer reviews. Correlations were highest for features that are relatively easy to recognize even for untrained tasters, like bitterness, sweetness, alcohol and malt aroma (Fig.  3 and below).

figure 3

RateBeer text mining results can be found in Supplementary Data  7 . Rho values shown are Spearman correlation values, with asterisks indicating significant correlations ( p  < 0.05, two-sided). All p values were smaller than 0.001, except for Esters aroma (0.0553), Esters taste (0.3275), Esters aroma—banana (0.0019), Coriander (0.0508) and Diacetyl (0.0134).

Besides collecting consumer appreciation from these online reviews, we developed automated text analysis tools to gather additional data from review texts (Supplementary Data  7 ). Processing review texts on the RateBeer database yielded comparable results to the scores given by the trained panel for many common sensory aspects, including acidity, bitterness, sweetness, alcohol, malt, and hop tastes (Fig.  3 ). This is in line with what would be expected, since these attributes require less training for accurate assessment and are less influenced by environmental factors such as temperature, serving glass and odors in the environment. Consumer reviews also correlate well with our trained panel for 4-vinyl guaiacol, a compound associated with a very characteristic aroma. By contrast, correlations for more specific aromas like ester, coriander or diacetyl are underrepresented in the online reviews, underscoring the importance of using a trained tasting panel and standardized tasting sheets with explicit factors to be scored for evaluating specific aspects of a beer. Taken together, our results suggest that public reviews are trustworthy for some, but not all, flavor features and can complement or substitute taste panel data for these sensory aspects.

Models can predict beer sensory profiles from chemical data

The rich datasets of chemical analyses, tasting panel assessments and public reviews gathered in the first part of this study provided us with a unique opportunity to develop predictive models that link chemical data to sensorial features. Given the complexity of beer flavor, basic statistical tools such as correlations or linear regression may not always be the most suitable for making accurate predictions. Instead, we applied different machine learning models that can model both simple linear and complex interactive relationships. Specifically, we constructed a set of regression models to predict (a) trained panel scores for beer flavor and quality and (b) public reviews’ appreciation scores from beer chemical profiles. We trained and tested 10 different models (Methods), 3 linear regression-based models (simple linear regression with first-order interactions (LR), lasso regression with first-order interactions (Lasso), partial least squares regressor (PLSR)), 5 decision tree models (AdaBoost regressor (ABR), extra trees (ET), gradient boosting regressor (GBR), random forest (RF) and XGBoost regressor (XGBR)), 1 support vector regression (SVR), and 1 artificial neural network (ANN) model.

To compare the performance of our machine learning models, the dataset was randomly split into a training and test set, stratified by beer style. After a model was trained on data in the training set, its performance was evaluated on its ability to predict the test dataset obtained from multi-output models (based on the coefficient of determination, see Methods). Additionally, individual-attribute models were ranked per descriptor and the average rank was calculated, as proposed by Korneva et al. 64 . Importantly, both ways of evaluating the models’ performance agreed in general. Performance of the different models varied (Table  1 ). It should be noted that all models perform better at predicting RateBeer results than results from our trained tasting panel. One reason could be that sensory data is inherently variable, and this variability is averaged out with the large number of public reviews from RateBeer. Additionally, all tree-based models perform better at predicting taste than aroma. Linear models (LR) performed particularly poorly, with negative R 2 values, due to severe overfitting (training set R 2  = 1). Overfitting is a common issue in linear models with many parameters and limited samples, especially with interaction terms further amplifying the number of parameters. L1 regularization (Lasso) successfully overcomes this overfitting, out-competing multiple tree-based models on the RateBeer dataset. Similarly, the dimensionality reduction of PLSR avoids overfitting and improves performance, to some extent. Still, tree-based models (ABR, ET, GBR, RF and XGBR) show the best performance, out-competing the linear models (LR, Lasso, PLSR) commonly used in sensory science 65 .

GBR models showed the best overall performance in predicting sensory responses from chemical information, with R 2 values up to 0.75 depending on the predicted sensory feature (Supplementary Table  S4 ). The GBR models predict consumer appreciation (RateBeer) better than our trained panel’s appreciation (R 2 value of 0.67 compared to R 2 value of 0.09) (Supplementary Table  S3 and Supplementary Table  S4 ). ANN models showed intermediate performance, likely because neural networks typically perform best with larger datasets 66 . The SVR shows intermediate performance, mostly due to the weak predictions of specific attributes that lower the overall performance (Supplementary Table  S4 ).

Model dissection identifies specific, unexpected compounds as drivers of consumer appreciation

Next, we leveraged our models to infer important contributors to sensory perception and consumer appreciation. Consumer preference is a crucial sensory aspects, because a product that shows low consumer appreciation scores often does not succeed commercially 25 . Additionally, the requirement for a large number of representative evaluators makes consumer trials one of the more costly and time-consuming aspects of product development. Hence, a model for predicting chemical drivers of overall appreciation would be a welcome addition to the available toolbox for food development and optimization.

Since GBR models on our RateBeer dataset showed the best overall performance, we focused on these models. Specifically, we used two approaches to identify important contributors. First, rankings of the most important predictors for each sensorial trait in the GBR models were obtained based on impurity-based feature importance (mean decrease in impurity). High-ranked parameters were hypothesized to be either the true causal chemical properties underlying the trait, to correlate with the actual causal properties, or to take part in sensory interactions affecting the trait 67 (Fig.  4A ). In a second approach, we used SHAP 68 to determine which parameters contributed most to the model for making predictions of consumer appreciation (Fig.  4B ). SHAP calculates parameter contributions to model predictions on a per-sample basis, which can be aggregated into an importance score.

figure 4

A The impurity-based feature importance (mean deviance in impurity, MDI) calculated from the Gradient Boosting Regression (GBR) model predicting RateBeer appreciation scores. The top 15 highest ranked chemical properties are shown. B SHAP summary plot for the top 15 parameters contributing to our GBR model. Each point on the graph represents a sample from our dataset. The color represents the concentration of that parameter, with bluer colors representing low values and redder colors representing higher values. Greater absolute values on the horizontal axis indicate a higher impact of the parameter on the prediction of the model. C Spearman correlations between the 15 most important chemical properties and consumer overall appreciation. Numbers indicate the Spearman Rho correlation coefficient, and the rank of this correlation compared to all other correlations. The top 15 important compounds were determined using SHAP (panel B).

Both approaches identified ethyl acetate as the most predictive parameter for beer appreciation (Fig.  4 ). Ethyl acetate is the most abundant ester in beer with a typical ‘fruity’, ‘solvent’ and ‘alcoholic’ flavor, but is often considered less important than other esters like isoamyl acetate. The second most important parameter identified by SHAP is ethanol, the most abundant beer compound after water. Apart from directly contributing to beer flavor and mouthfeel, ethanol drastically influences the physical properties of beer, dictating how easily volatile compounds escape the beer matrix to contribute to beer aroma 69 . Importantly, it should also be noted that the importance of ethanol for appreciation is likely inflated by the very low appreciation scores of non-alcoholic beers (Supplementary Fig.  S4 ). Despite not often being considered a driver of beer appreciation, protein level also ranks highly in both approaches, possibly due to its effect on mouthfeel and body 70 . Lactic acid, which contributes to the tart taste of sour beers, is the fourth most important parameter identified by SHAP, possibly due to the generally high appreciation of sour beers in our dataset.

Interestingly, some of the most important predictive parameters for our model are not well-established as beer flavors or are even commonly regarded as being negative for beer quality. For example, our models identify methanethiol and ethyl phenyl acetate, an ester commonly linked to beer staling 71 , as a key factor contributing to beer appreciation. Although there is no doubt that high concentrations of these compounds are considered unpleasant, the positive effects of modest concentrations are not yet known 72 , 73 .

To compare our approach to conventional statistics, we evaluated how well the 15 most important SHAP-derived parameters correlate with consumer appreciation (Fig.  4C ). Interestingly, only 6 of the properties derived by SHAP rank amongst the top 15 most correlated parameters. For some chemical compounds, the correlations are so low that they would have likely been considered unimportant. For example, lactic acid, the fourth most important parameter, shows a bimodal distribution for appreciation, with sour beers forming a separate cluster, that is missed entirely by the Spearman correlation. Additionally, the correlation plots reveal outliers, emphasizing the need for robust analysis tools. Together, this highlights the need for alternative models, like the Gradient Boosting model, that better grasp the complexity of (beer) flavor.

Finally, to observe the relationships between these chemical properties and their predicted targets, partial dependence plots were constructed for the six most important predictors of consumer appreciation 74 , 75 , 76 (Supplementary Fig.  S7 ). One-way partial dependence plots show how a change in concentration affects the predicted appreciation. These plots reveal an important limitation of our models: appreciation predictions remain constant at ever-increasing concentrations. This implies that once a threshold concentration is reached, further increasing the concentration does not affect appreciation. This is false, as it is well-documented that certain compounds become unpleasant at high concentrations, including ethyl acetate (‘nail polish’) 77 and methanethiol (‘sulfury’ and ‘rotten cabbage’) 78 . The inability of our models to grasp that flavor compounds have optimal levels, above which they become negative, is a consequence of working with commercial beer brands where (off-)flavors are rarely too high to negatively impact the product. The two-way partial dependence plots show how changing the concentration of two compounds influences predicted appreciation, visualizing their interactions (Supplementary Fig.  S7 ). In our case, the top 5 parameters are dominated by additive or synergistic interactions, with high concentrations for both compounds resulting in the highest predicted appreciation.

To assess the robustness of our best-performing models and model predictions, we performed 100 iterations of the GBR, RF and ET models. In general, all iterations of the models yielded similar performance (Supplementary Fig.  S8 ). Moreover, the main predictors (including the top predictors ethanol and ethyl acetate) remained virtually the same, especially for GBR and RF. For the iterations of the ET model, we did observe more variation in the top predictors, which is likely a consequence of the model’s inherent random architecture in combination with co-correlations between certain predictors. However, even in this case, several of the top predictors (ethanol and ethyl acetate) remain unchanged, although their rank in importance changes (Supplementary Fig.  S8 ).

Next, we investigated if a combination of RateBeer and trained panel data into one consolidated dataset would lead to stronger models, under the hypothesis that such a model would suffer less from bias in the datasets. A GBR model was trained to predict appreciation on the combined dataset. This model underperformed compared to the RateBeer model, both in the native case and when including a dataset identifier (R 2  = 0.67, 0.26 and 0.42 respectively). For the latter, the dataset identifier is the most important feature (Supplementary Fig.  S9 ), while most of the feature importance remains unchanged, with ethyl acetate and ethanol ranking highest, like in the original model trained only on RateBeer data. It seems that the large variation in the panel dataset introduces noise, weakening the models’ performances and reliability. In addition, it seems reasonable to assume that both datasets are fundamentally different, with the panel dataset obtained by blind tastings by a trained professional panel.

Lastly, we evaluated whether beer style identifiers would further enhance the model’s performance. A GBR model was trained with parameters that explicitly encoded the styles of the samples. This did not improve model performance (R2 = 0.66 with style information vs R2 = 0.67). The most important chemical features are consistent with the model trained without style information (eg. ethanol and ethyl acetate), and with the exception of the most preferred (strong ale) and least preferred (low/no-alcohol) styles, none of the styles were among the most important features (Supplementary Fig.  S9 , Supplementary Table  S5 and S6 ). This is likely due to a combination of style-specific chemical signatures, such as iso-alpha acids and lactic acid, that implicitly convey style information to the original models, as well as the low number of samples belonging to some styles, making it difficult for the model to learn style-specific patterns. Moreover, beer styles are not rigorously defined, with some styles overlapping in features and some beers being misattributed to a specific style, all of which leads to more noise in models that use style parameters.

Model validation

To test if our predictive models give insight into beer appreciation, we set up experiments aimed at improving existing commercial beers. We specifically selected overall appreciation as the trait to be examined because of its complexity and commercial relevance. Beer flavor comprises a complex bouquet rather than single aromas and tastes 53 . Hence, adding a single compound to the extent that a difference is noticeable may lead to an unbalanced, artificial flavor. Therefore, we evaluated the effect of combinations of compounds. Because Blond beers represent the most extensive style in our dataset, we selected a beer from this style as the starting material for these experiments (Beer 64 in Supplementary Data  1 ).

In the first set of experiments, we adjusted the concentrations of compounds that made up the most important predictors of overall appreciation (ethyl acetate, ethanol, lactic acid, ethyl phenyl acetate) together with correlated compounds (ethyl hexanoate, isoamyl acetate, glycerol), bringing them up to 95 th percentile ethanol-normalized concentrations (Methods) within the Blond group (‘Spiked’ concentration in Fig.  5A ). Compared to controls, the spiked beers were found to have significantly improved overall appreciation among trained panelists, with panelist noting increased intensity of ester flavors, sweetness, alcohol, and body fullness (Fig.  5B ). To disentangle the contribution of ethanol to these results, a second experiment was performed without the addition of ethanol. This resulted in a similar outcome, including increased perception of alcohol and overall appreciation.

figure 5

Adding the top chemical compounds, identified as best predictors of appreciation by our model, into poorly appreciated beers results in increased appreciation from our trained panel. Results of sensory tests between base beers and those spiked with compounds identified as the best predictors by the model. A Blond and Non/Low-alcohol (0.0% ABV) base beers were brought up to 95th-percentile ethanol-normalized concentrations within each style. B For each sensory attribute, tasters indicated the more intense sample and selected the sample they preferred. The numbers above the bars correspond to the p values that indicate significant changes in perceived flavor (two-sided binomial test: alpha 0.05, n  = 20 or 13).

In a last experiment, we tested whether using the model’s predictions can boost the appreciation of a non-alcoholic beer (beer 223 in Supplementary Data  1 ). Again, the addition of a mixture of predicted compounds (omitting ethanol, in this case) resulted in a significant increase in appreciation, body, ester flavor and sweetness.

Predicting flavor and consumer appreciation from chemical composition is one of the ultimate goals of sensory science. A reliable, systematic and unbiased way to link chemical profiles to flavor and food appreciation would be a significant asset to the food and beverage industry. Such tools would substantially aid in quality control and recipe development, offer an efficient and cost-effective alternative to pilot studies and consumer trials and would ultimately allow food manufacturers to produce superior, tailor-made products that better meet the demands of specific consumer groups more efficiently.

A limited set of studies have previously tried, to varying degrees of success, to predict beer flavor and beer popularity based on (a limited set of) chemical compounds and flavors 79 , 80 . Current sensitive, high-throughput technologies allow measuring an unprecedented number of chemical compounds and properties in a large set of samples, yielding a dataset that can train models that help close the gaps between chemistry and flavor, even for a complex natural product like beer. To our knowledge, no previous research gathered data at this scale (250 samples, 226 chemical parameters, 50 sensory attributes and 5 consumer scores) to disentangle and validate the chemical aspects driving beer preference using various machine-learning techniques. We find that modern machine learning models outperform conventional statistical tools, such as correlations and linear models, and can successfully predict flavor appreciation from chemical composition. This could be attributed to the natural incorporation of interactions and non-linear or discontinuous effects in machine learning models, which are not easily grasped by the linear model architecture. While linear models and partial least squares regression represent the most widespread statistical approaches in sensory science, in part because they allow interpretation 65 , 81 , 82 , modern machine learning methods allow for building better predictive models while preserving the possibility to dissect and exploit the underlying patterns. Of the 10 different models we trained, tree-based models, such as our best performing GBR, showed the best overall performance in predicting sensory responses from chemical information, outcompeting artificial neural networks. This agrees with previous reports for models trained on tabular data 83 . Our results are in line with the findings of Colantonio et al. who also identified the gradient boosting architecture as performing best at predicting appreciation and flavor (of tomatoes and blueberries, in their specific study) 26 . Importantly, besides our larger experimental scale, we were able to directly confirm our models’ predictions in vivo.

Our study confirms that flavor compound concentration does not always correlate with perception, suggesting complex interactions that are often missed by more conventional statistics and simple models. Specifically, we find that tree-based algorithms may perform best in developing models that link complex food chemistry with aroma. Furthermore, we show that massive datasets of untrained consumer reviews provide a valuable source of data, that can complement or even replace trained tasting panels, especially for appreciation and basic flavors, such as sweetness and bitterness. This holds despite biases that are known to occur in such datasets, such as price or conformity bias. Moreover, GBR models predict taste better than aroma. This is likely because taste (e.g. bitterness) often directly relates to the corresponding chemical measurements (e.g., iso-alpha acids), whereas such a link is less clear for aromas, which often result from the interplay between multiple volatile compounds. We also find that our models are best at predicting acidity and alcohol, likely because there is a direct relation between the measured chemical compounds (acids and ethanol) and the corresponding perceived sensorial attribute (acidity and alcohol), and because even untrained consumers are generally able to recognize these flavors and aromas.

The predictions of our final models, trained on review data, hold even for blind tastings with small groups of trained tasters, as demonstrated by our ability to validate specific compounds as drivers of beer flavor and appreciation. Since adding a single compound to the extent of a noticeable difference may result in an unbalanced flavor profile, we specifically tested our identified key drivers as a combination of compounds. While this approach does not allow us to validate if a particular single compound would affect flavor and/or appreciation, our experiments do show that this combination of compounds increases consumer appreciation.

It is important to stress that, while it represents an important step forward, our approach still has several major limitations. A key weakness of the GBR model architecture is that amongst co-correlating variables, the largest main effect is consistently preferred for model building. As a result, co-correlating variables often have artificially low importance scores, both for impurity and SHAP-based methods, like we observed in the comparison to the more randomized Extra Trees models. This implies that chemicals identified as key drivers of a specific sensory feature by GBR might not be the true causative compounds, but rather co-correlate with the actual causative chemical. For example, the high importance of ethyl acetate could be (partially) attributed to the total ester content, ethanol or ethyl hexanoate (rho=0.77, rho=0.72 and rho=0.68), while ethyl phenylacetate could hide the importance of prenyl isobutyrate and ethyl benzoate (rho=0.77 and rho=0.76). Expanding our GBR model to include beer style as a parameter did not yield additional power or insight. This is likely due to style-specific chemical signatures, such as iso-alpha acids and lactic acid, that implicitly convey style information to the original model, as well as the smaller sample size per style, limiting the power to uncover style-specific patterns. This can be partly attributed to the curse of dimensionality, where the high number of parameters results in the models mainly incorporating single parameter effects, rather than complex interactions such as style-dependent effects 67 . A larger number of samples may overcome some of these limitations and offer more insight into style-specific effects. On the other hand, beer style is not a rigid scientific classification, and beers within one style often differ a lot, which further complicates the analysis of style as a model factor.

Our study is limited to beers from Belgian breweries. Although these beers cover a large portion of the beer styles available globally, some beer styles and consumer patterns may be missing, while other features might be overrepresented. For example, many Belgian ales exhibit yeast-driven flavor profiles, which is reflected in the chemical drivers of appreciation discovered by this study. In future work, expanding the scope to include diverse markets and beer styles could lead to the identification of even more drivers of appreciation and better models for special niche products that were not present in our beer set.

In addition to inherent limitations of GBR models, there are also some limitations associated with studying food aroma. Even if our chemical analyses measured most of the known aroma compounds, the total number of flavor compounds in complex foods like beer is still larger than the subset we were able to measure in this study. For example, hop-derived thiols, that influence flavor at very low concentrations, are notoriously difficult to measure in a high-throughput experiment. Moreover, consumer perception remains subjective and prone to biases that are difficult to avoid. It is also important to stress that the models are still immature and that more extensive datasets will be crucial for developing more complete models in the future. Besides more samples and parameters, our dataset does not include any demographic information about the tasters. Including such data could lead to better models that grasp external factors like age and culture. Another limitation is that our set of beers consists of high-quality end-products and lacks beers that are unfit for sale, which limits the current model in accurately predicting products that are appreciated very badly. Finally, while models could be readily applied in quality control, their use in sensory science and product development is restrained by their inability to discern causal relationships. Given that the models cannot distinguish compounds that genuinely drive consumer perception from those that merely correlate, validation experiments are essential to identify true causative compounds.

Despite the inherent limitations, dissection of our models enabled us to pinpoint specific molecules as potential drivers of beer aroma and consumer appreciation, including compounds that were unexpected and would not have been identified using standard approaches. Important drivers of beer appreciation uncovered by our models include protein levels, ethyl acetate, ethyl phenyl acetate and lactic acid. Currently, many brewers already use lactic acid to acidify their brewing water and ensure optimal pH for enzymatic activity during the mashing process. Our results suggest that adding lactic acid can also improve beer appreciation, although its individual effect remains to be tested. Interestingly, ethanol appears to be unnecessary to improve beer appreciation, both for blond beer and alcohol-free beer. Given the growing consumer interest in alcohol-free beer, with a predicted annual market growth of >7% 84 , it is relevant for brewers to know what compounds can further increase consumer appreciation of these beers. Hence, our model may readily provide avenues to further improve the flavor and consumer appreciation of both alcoholic and non-alcoholic beers, which is generally considered one of the key challenges for future beer production.

Whereas we see a direct implementation of our results for the development of superior alcohol-free beverages and other food products, our study can also serve as a stepping stone for the development of novel alcohol-containing beverages. We want to echo the growing body of scientific evidence for the negative effects of alcohol consumption, both on the individual level by the mutagenic, teratogenic and carcinogenic effects of ethanol 85 , 86 , as well as the burden on society caused by alcohol abuse and addiction. We encourage the use of our results for the production of healthier, tastier products, including novel and improved beverages with lower alcohol contents. Furthermore, we strongly discourage the use of these technologies to improve the appreciation or addictive properties of harmful substances.

The present work demonstrates that despite some important remaining hurdles, combining the latest developments in chemical analyses, sensory analysis and modern machine learning methods offers exciting avenues for food chemistry and engineering. Soon, these tools may provide solutions in quality control and recipe development, as well as new approaches to sensory science and flavor research.

Beer selection

250 commercial Belgian beers were selected to cover the broad diversity of beer styles and corresponding diversity in chemical composition and aroma. See Supplementary Fig.  S1 .

Chemical dataset

Sample preparation.

Beers within their expiration date were purchased from commercial retailers. Samples were prepared in biological duplicates at room temperature, unless explicitly stated otherwise. Bottle pressure was measured with a manual pressure device (Steinfurth Mess-Systeme GmbH) and used to calculate CO 2 concentration. The beer was poured through two filter papers (Macherey-Nagel, 500713032 MN 713 ¼) to remove carbon dioxide and prevent spontaneous foaming. Samples were then prepared for measurements by targeted Headspace-Gas Chromatography-Flame Ionization Detector/Flame Photometric Detector (HS-GC-FID/FPD), Headspace-Solid Phase Microextraction-Gas Chromatography-Mass Spectrometry (HS-SPME-GC-MS), colorimetric analysis, enzymatic analysis, Near-Infrared (NIR) analysis, as described in the sections below. The mean values of biological duplicates are reported for each compound.

HS-GC-FID/FPD

HS-GC-FID/FPD (Shimadzu GC 2010 Plus) was used to measure higher alcohols, acetaldehyde, esters, 4-vinyl guaicol, and sulfur compounds. Each measurement comprised 5 ml of sample pipetted into a 20 ml glass vial containing 1.75 g NaCl (VWR, 27810.295). 100 µl of 2-heptanol (Sigma-Aldrich, H3003) (internal standard) solution in ethanol (Fisher Chemical, E/0650DF/C17) was added for a final concentration of 2.44 mg/L. Samples were flushed with nitrogen for 10 s, sealed with a silicone septum, stored at −80 °C and analyzed in batches of 20.

The GC was equipped with a DB-WAXetr column (length, 30 m; internal diameter, 0.32 mm; layer thickness, 0.50 µm; Agilent Technologies, Santa Clara, CA, USA) to the FID and an HP-5 column (length, 30 m; internal diameter, 0.25 mm; layer thickness, 0.25 µm; Agilent Technologies, Santa Clara, CA, USA) to the FPD. N 2 was used as the carrier gas. Samples were incubated for 20 min at 70 °C in the headspace autosampler (Flow rate, 35 cm/s; Injection volume, 1000 µL; Injection mode, split; Combi PAL autosampler, CTC analytics, Switzerland). The injector, FID and FPD temperatures were kept at 250 °C. The GC oven temperature was first held at 50 °C for 5 min and then allowed to rise to 80 °C at a rate of 5 °C/min, followed by a second ramp of 4 °C/min until 200 °C kept for 3 min and a final ramp of (4 °C/min) until 230 °C for 1 min. Results were analyzed with the GCSolution software version 2.4 (Shimadzu, Kyoto, Japan). The GC was calibrated with a 5% EtOH solution (VWR International) containing the volatiles under study (Supplementary Table  S7 ).

HS-SPME-GC-MS

HS-SPME-GC-MS (Shimadzu GCMS-QP-2010 Ultra) was used to measure additional volatile compounds, mainly comprising terpenoids and esters. Samples were analyzed by HS-SPME using a triphase DVB/Carboxen/PDMS 50/30 μm SPME fiber (Supelco Co., Bellefonte, PA, USA) followed by gas chromatography (Thermo Fisher Scientific Trace 1300 series, USA) coupled to a mass spectrometer (Thermo Fisher Scientific ISQ series MS) equipped with a TriPlus RSH autosampler. 5 ml of degassed beer sample was placed in 20 ml vials containing 1.75 g NaCl (VWR, 27810.295). 5 µl internal standard mix was added, containing 2-heptanol (1 g/L) (Sigma-Aldrich, H3003), 4-fluorobenzaldehyde (1 g/L) (Sigma-Aldrich, 128376), 2,3-hexanedione (1 g/L) (Sigma-Aldrich, 144169) and guaiacol (1 g/L) (Sigma-Aldrich, W253200) in ethanol (Fisher Chemical, E/0650DF/C17). Each sample was incubated at 60 °C in the autosampler oven with constant agitation. After 5 min equilibration, the SPME fiber was exposed to the sample headspace for 30 min. The compounds trapped on the fiber were thermally desorbed in the injection port of the chromatograph by heating the fiber for 15 min at 270 °C.

The GC-MS was equipped with a low polarity RXi-5Sil MS column (length, 20 m; internal diameter, 0.18 mm; layer thickness, 0.18 µm; Restek, Bellefonte, PA, USA). Injection was performed in splitless mode at 320 °C, a split flow of 9 ml/min, a purge flow of 5 ml/min and an open valve time of 3 min. To obtain a pulsed injection, a programmed gas flow was used whereby the helium gas flow was set at 2.7 mL/min for 0.1 min, followed by a decrease in flow of 20 ml/min to the normal 0.9 mL/min. The temperature was first held at 30 °C for 3 min and then allowed to rise to 80 °C at a rate of 7 °C/min, followed by a second ramp of 2 °C/min till 125 °C and a final ramp of 8 °C/min with a final temperature of 270 °C.

Mass acquisition range was 33 to 550 amu at a scan rate of 5 scans/s. Electron impact ionization energy was 70 eV. The interface and ion source were kept at 275 °C and 250 °C, respectively. A mix of linear n-alkanes (from C7 to C40, Supelco Co.) was injected into the GC-MS under identical conditions to serve as external retention index markers. Identification and quantification of the compounds were performed using an in-house developed R script as described in Goelen et al. and Reher et al. 87 , 88 (for package information, see Supplementary Table  S8 ). Briefly, chromatograms were analyzed using AMDIS (v2.71) 89 to separate overlapping peaks and obtain pure compound spectra. The NIST MS Search software (v2.0 g) in combination with the NIST2017, FFNSC3 and Adams4 libraries were used to manually identify the empirical spectra, taking into account the expected retention time. After background subtraction and correcting for retention time shifts between samples run on different days based on alkane ladders, compound elution profiles were extracted and integrated using a file with 284 target compounds of interest, which were either recovered in our identified AMDIS list of spectra or were known to occur in beer. Compound elution profiles were estimated for every peak in every chromatogram over a time-restricted window using weighted non-negative least square analysis after which peak areas were integrated 87 , 88 . Batch effect correction was performed by normalizing against the most stable internal standard compound, 4-fluorobenzaldehyde. Out of all 284 target compounds that were analyzed, 167 were visually judged to have reliable elution profiles and were used for final analysis.

Discrete photometric and enzymatic analysis

Discrete photometric and enzymatic analysis (Thermo Scientific TM Gallery TM Plus Beermaster Discrete Analyzer) was used to measure acetic acid, ammonia, beta-glucan, iso-alpha acids, color, sugars, glycerol, iron, pH, protein, and sulfite. 2 ml of sample volume was used for the analyses. Information regarding the reagents and standard solutions used for analyses and calibrations is included in Supplementary Table  S7 and Supplementary Table  S9 .

NIR analyses

NIR analysis (Anton Paar Alcolyzer Beer ME System) was used to measure ethanol. Measurements comprised 50 ml of sample, and a 10% EtOH solution was used for calibration.

Correlation calculations

Pairwise Spearman Rank correlations were calculated between all chemical properties.

Sensory dataset

Trained panel.

Our trained tasting panel consisted of volunteers who gave prior verbal informed consent. All compounds used for the validation experiment were of food-grade quality. The tasting sessions were approved by the Social and Societal Ethics Committee of the KU Leuven (G-2022-5677-R2(MAR)). All online reviewers agreed to the Terms and Conditions of the RateBeer website.

Sensory analysis was performed according to the American Society of Brewing Chemists (ASBC) Sensory Analysis Methods 90 . 30 volunteers were screened through a series of triangle tests. The sixteen most sensitive and consistent tasters were retained as taste panel members. The resulting panel was diverse in age [22–42, mean: 29], sex [56% male] and nationality [7 different countries]. The panel developed a consensus vocabulary to describe beer aroma, taste and mouthfeel. Panelists were trained to identify and score 50 different attributes, using a 7-point scale to rate attributes’ intensity. The scoring sheet is included as Supplementary Data  3 . Sensory assessments took place between 10–12 a.m. The beers were served in black-colored glasses. Per session, between 5 and 12 beers of the same style were tasted at 12 °C to 16 °C. Two reference beers were added to each set and indicated as ‘Reference 1 & 2’, allowing panel members to calibrate their ratings. Not all panelists were present at every tasting. Scores were scaled by standard deviation and mean-centered per taster. Values are represented as z-scores and clustered by Euclidean distance. Pairwise Spearman correlations were calculated between taste and aroma sensory attributes. Panel consistency was evaluated by repeating samples on different sessions and performing ANOVA to identify differences, using the ‘stats’ package (v4.2.2) in R (for package information, see Supplementary Table  S8 ).

Online reviews from a public database

The ‘scrapy’ package in Python (v3.6) (for package information, see Supplementary Table  S8 ). was used to collect 232,288 online reviews (mean=922, min=6, max=5343) from RateBeer, an online beer review database. Each review entry comprised 5 numerical scores (appearance, aroma, taste, palate and overall quality) and an optional review text. The total number of reviews per reviewer was collected separately. Numerical scores were scaled and centered per rater, and mean scores were calculated per beer.

For the review texts, the language was estimated using the packages ‘langdetect’ and ‘langid’ in Python. Reviews that were classified as English by both packages were kept. Reviewers with fewer than 100 entries overall were discarded. 181,025 reviews from >6000 reviewers from >40 countries remained. Text processing was done using the ‘nltk’ package in Python. Texts were corrected for slang and misspellings; proper nouns and rare words that are relevant to the beer context were specified and kept as-is (‘Chimay’,’Lambic’, etc.). A dictionary of semantically similar sensorial terms, for example ‘floral’ and ‘flower’, was created and collapsed together into one term. Words were stemmed and lemmatized to avoid identifying words such as ‘acid’ and ‘acidity’ as separate terms. Numbers and punctuation were removed.

Sentences from up to 50 randomly chosen reviews per beer were manually categorized according to the aspect of beer they describe (appearance, aroma, taste, palate, overall quality—not to be confused with the 5 numerical scores described above) or flagged as irrelevant if they contained no useful information. If a beer contained fewer than 50 reviews, all reviews were manually classified. This labeled data set was used to train a model that classified the rest of the sentences for all beers 91 . Sentences describing taste and aroma were extracted, and term frequency–inverse document frequency (TFIDF) was implemented to calculate enrichment scores for sensorial words per beer.

The sex of the tasting subject was not considered when building our sensory database. Instead, results from different panelists were averaged, both for our trained panel (56% male, 44% female) and the RateBeer reviews (70% male, 30% female for RateBeer as a whole).

Beer price collection and processing

Beer prices were collected from the following stores: Colruyt, Delhaize, Total Wine, BeerHawk, The Belgian Beer Shop, The Belgian Shop, and Beer of Belgium. Where applicable, prices were converted to Euros and normalized per liter. Spearman correlations were calculated between these prices and mean overall appreciation scores from RateBeer and the taste panel, respectively.

Pairwise Spearman Rank correlations were calculated between all sensory properties.

Machine learning models

Predictive modeling of sensory profiles from chemical data.

Regression models were constructed to predict (a) trained panel scores for beer flavors and quality from beer chemical profiles and (b) public reviews’ appreciation scores from beer chemical profiles. Z-scores were used to represent sensory attributes in both data sets. Chemical properties with log-normal distributions (Shapiro-Wilk test, p  <  0.05 ) were log-transformed. Missing chemical measurements (0.1% of all data) were replaced with mean values per attribute. Observations from 250 beers were randomly separated into a training set (70%, 175 beers) and a test set (30%, 75 beers), stratified per beer style. Chemical measurements (p = 231) were normalized based on the training set average and standard deviation. In total, three linear regression-based models: linear regression with first-order interaction terms (LR), lasso regression with first-order interaction terms (Lasso) and partial least squares regression (PLSR); five decision tree models, Adaboost regressor (ABR), Extra Trees (ET), Gradient Boosting regressor (GBR), Random Forest (RF) and XGBoost regressor (XGBR); one support vector machine model (SVR) and one artificial neural network model (ANN) were trained. The models were implemented using the ‘scikit-learn’ package (v1.2.2) and ‘xgboost’ package (v1.7.3) in Python (v3.9.16). Models were trained, and hyperparameters optimized, using five-fold cross-validated grid search with the coefficient of determination (R 2 ) as the evaluation metric. The ANN (scikit-learn’s MLPRegressor) was optimized using Bayesian Tree-Structured Parzen Estimator optimization with the ‘Optuna’ Python package (v3.2.0). Individual models were trained per attribute, and a multi-output model was trained on all attributes simultaneously.

Model dissection

GBR was found to outperform other methods, resulting in models with the highest average R 2 values in both trained panel and public review data sets. Impurity-based rankings of the most important predictors for each predicted sensorial trait were obtained using the ‘scikit-learn’ package. To observe the relationships between these chemical properties and their predicted targets, partial dependence plots (PDP) were constructed for the six most important predictors of consumer appreciation 74 , 75 .

The ‘SHAP’ package in Python (v0.41.0) was implemented to provide an alternative ranking of predictor importance and to visualize the predictors’ effects as a function of their concentration 68 .

Validation of causal chemical properties

To validate the effects of the most important model features on predicted sensory attributes, beers were spiked with the chemical compounds identified by the models and descriptive sensory analyses were carried out according to the American Society of Brewing Chemists (ASBC) protocol 90 .

Compound spiking was done 30 min before tasting. Compounds were spiked into fresh beer bottles, that were immediately resealed and inverted three times. Fresh bottles of beer were opened for the same duration, resealed, and inverted thrice, to serve as controls. Pairs of spiked samples and controls were served simultaneously, chilled and in dark glasses as outlined in the Trained panel section above. Tasters were instructed to select the glass with the higher flavor intensity for each attribute (directional difference test 92 ) and to select the glass they prefer.

The final concentration after spiking was equal to the within-style average, after normalizing by ethanol concentration. This was done to ensure balanced flavor profiles in the final spiked beer. The same methods were applied to improve a non-alcoholic beer. Compounds were the following: ethyl acetate (Merck KGaA, W241415), ethyl hexanoate (Merck KGaA, W243906), isoamyl acetate (Merck KGaA, W205508), phenethyl acetate (Merck KGaA, W285706), ethanol (96%, Colruyt), glycerol (Merck KGaA, W252506), lactic acid (Merck KGaA, 261106).

Significant differences in preference or perceived intensity were determined by performing the two-sided binomial test on each attribute.

Reporting summary

Further information on research design is available in the  Nature Portfolio Reporting Summary linked to this article.

Data availability

The data that support the findings of this work are available in the Supplementary Data files and have been deposited to Zenodo under accession code 10653704 93 . The RateBeer scores data are under restricted access, they are not publicly available as they are property of RateBeer (ZX Ventures, USA). Access can be obtained from the authors upon reasonable request and with permission of RateBeer (ZX Ventures, USA).  Source data are provided with this paper.

Code availability

The code for training the machine learning models, analyzing the models, and generating the figures has been deposited to Zenodo under accession code 10653704 93 .

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Acknowledgements

We thank all lab members for their discussions and thank all tasting panel members for their contributions. Special thanks go out to Dr. Karin Voordeckers for her tremendous help in proofreading and improving the manuscript. M.S. was supported by a Baillet-Latour fellowship, L.C. acknowledges financial support from KU Leuven (C16/17/006), F.A.T. was supported by a PhD fellowship from FWO (1S08821N). Research in the lab of K.J.V. is supported by KU Leuven, FWO, VIB, VLAIO and the Brewing Science Serves Health Fund. Research in the lab of T.W. is supported by FWO (G.0A51.15) and KU Leuven (C16/17/006).

Author information

These authors contributed equally: Michiel Schreurs, Supinya Piampongsant, Miguel Roncoroni.

Authors and Affiliations

VIB—KU Leuven Center for Microbiology, Gaston Geenslaan 1, B-3001, Leuven, Belgium

Michiel Schreurs, Supinya Piampongsant, Miguel Roncoroni, Lloyd Cool, Beatriz Herrera-Malaver, Florian A. Theßeling & Kevin J. Verstrepen

CMPG Laboratory of Genetics and Genomics, KU Leuven, Gaston Geenslaan 1, B-3001, Leuven, Belgium

Leuven Institute for Beer Research (LIBR), Gaston Geenslaan 1, B-3001, Leuven, Belgium

Laboratory of Socioecology and Social Evolution, KU Leuven, Naamsestraat 59, B-3000, Leuven, Belgium

Lloyd Cool, Christophe Vanderaa & Tom Wenseleers

VIB Bioinformatics Core, VIB, Rijvisschestraat 120, B-9052, Ghent, Belgium

Łukasz Kreft & Alexander Botzki

AB InBev SA/NV, Brouwerijplein 1, B-3000, Leuven, Belgium

Philippe Malcorps & Luk Daenen

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Contributions

S.P., M.S. and K.J.V. conceived the experiments. S.P., M.S. and K.J.V. designed the experiments. S.P., M.S., M.R., B.H. and F.A.T. performed the experiments. S.P., M.S., L.C., C.V., L.K., A.B., P.M., L.D., T.W. and K.J.V. contributed analysis ideas. S.P., M.S., L.C., C.V., T.W. and K.J.V. analyzed the data. All authors contributed to writing the manuscript.

Corresponding author

Correspondence to Kevin J. Verstrepen .

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Competing interests.

K.J.V. is affiliated with bar.on. The other authors declare no competing interests.

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Schreurs, M., Piampongsant, S., Roncoroni, M. et al. Predicting and improving complex beer flavor through machine learning. Nat Commun 15 , 2368 (2024). https://doi.org/10.1038/s41467-024-46346-0

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Published : 26 March 2024

DOI : https://doi.org/10.1038/s41467-024-46346-0

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