📊 Style & approach
Some emphasize theoretical aspects heavily with complex mathematics, while others offer overly simplified instructions lacking adequate explanations.
The Library
In the ancient city of Alexandria, on the shores of the Mediterranean Sea, stood one of humanity’s greatest treasures: the Library of Alexandria. The Library of Alexandria was not just a building filled with scrolls and manuscripts; it was a promise to future generations that knowledge would not be lost to time. Scholars traveled from distant lands to study there, copying texts by hand and discussing ideas that would shape civilizations. They understood a fundamental truth: Time fragments knowledge, and what is fragmented is easily forgotten.
Over the years, valuable analytical methods, algorithms, and approaches have been developed, yet some have become less accessible as researchers retire, publications become harder to find, technological formats change, or significant ideas are lost due to their complexity. Don’t get me wrong on this last point: understanding a complex paper is, to some extent, our own responsibility. However, the well-known pressure of ‘publish or perish’ deprives us of the high-quality time needed to properly understand concepts. This is yet another consequence of the fast-paced nature of academia today.
I believe that in our community (the chemometrics community) as well as in the vast majority of others, there are two essential aspects to preserve: the scientific advancements, both old and new, and the social and historical context that shaped them.
From a scientific perspective, I had to face the loss of scientific knowledge when I was studying the relationship between PCA and missing values as a student in 2023. I was investigating new ways to perform PCA in presence of missing values, and why NIPALS provided biased results in my simulations. Some researchers pointed that NIPALS provides biases due to floating and accumulative errors¹, but I was not able to replicate this phenomenon. Then, I found an interesting paper by Bjørn Grung and Rolf Manne from 1998 referencing some findings related to this issue²:
“The problem of missing information in principal component analysis (PCA) was discussed in depth for a special case by Christoffersson in his thesis in 1970. Christoffersson, as a student of H. Wold, extended the NIPALS algorithm of his mentor to a method for finding the first principal component of a data matrix with missing values. This approach has been implemented with varying degrees of correctness in commercial chemometric software for the general PCA problem with missing values. Christoffersson also briefly discussed equations for a NIPALS algorithm for the case of two principal components. However, in many cases, these equations do not converge to the optimal solution.”
I went straight to read Christoffersson’s dissertation. However, I was unable to find a digital version. Grung confirmed by email that, unfortunately, it appears to exist only in physical format at some Norwegian universities. That felt sad. I truly believe that piece is important, but it’s unlikely to be accessible.
This experience made me realize that the loss of information doesn’t always come in the form of dramatic destruction, like the burning of a great library. Sometimes, it’s quieter: a thesis sitting unread on a forgotten shelf or an insight buried in an journal behind a paywall. That, I believe, is the most dangerous form of losing knowledge, because we don’t even realize it’s happening. And unless we actively work to preserve and revisit these foundations, we risk rebuilding what was already built, rediscovering what was already known, or worse, forgetting entirely what once pushed the boundaries of our understanding.
On the other hand, from a social and personal perspective, chemometrics is not just about equations and algorithms; it is also about the people, the discussions, the beers in congress, the challenges that have shaped its development… I feel that, as an early-career researcher, the history of chemometrics, the pioneers who shaped our thinking, the evolution of our core concepts, and the successes and failures that guided our progress, is slowly fading and risks being forgotten.
I genuinely enjoy hearing these ‘old’ stories from my thesis directors (though I use ‘old’ with some hesitation when referring to the 70s-90s). Stories about the birth of the Colloquium Chemometricum Mediterraneum, the TRICAP, the CAC, how researchers first met, how collaborations formed, and how our field, despite its small size, developed strong connections. These conversations remind me that behind every theory and algorithm, there is a network of people who contributed to shaping the discipline.
Photo taken by Pieter Kroonenberg at TRICAP1997.
Preserving the legacy of chemometrics requires a concerted effort to centralize and curate both our knowledge and experiences. This means not only archiving important papers and algorithms but also ensuring that they remain accessible and understandable for future generations. It involves fostering a culture where researchers actively document their methods, share data, and mentor young scientists. By doing so, we can build a more interconnected and resilient scientific community: one that values and safeguards its intellectual heritage while continuously adapting and evolving to meet future challenges.
Just as the Library of Alexandria once stood as a beacon of knowledge, we must create modern repositories of chemometric wisdom. Digital archives, open-source software repositories, and collaborative platforms offer new opportunities for ensuring that valuable insights remain within reach. By embracing these tools and approaches, we can honor the legacy of those who came before us while empowering the next generation to build upon their work.
However, preservation alone is not enough. Knowledge must also be made accessible, comprehensible, and engaging for future researchers. This means developing user-friendly databases, encouraging interdisciplinary collaboration, and fostering an open dialogue where experienced scientists and newcomers can exchange ideas seamlessly. By creating environments that facilitate learning and innovation, we ensure that chemometrics continues to evolve rather than stagnate.
In essence, the responsibility of preserving and advancing chemometrics does not rest solely on institutions or digital platforms. It is a shared duty among all scientists. One of humanity’s greatest strengths lies in its ability to gather knowledge, safeguard it, and pass it forward (teach!). This unique capability has allowed civilizations to evolve, building upon the discoveries of those who came before rather than constantly reinventing what was once known. I think this is what makes us human.
This shared duty, i.e., to preserve, curate and advance, is not abstract. It is a call to action, and The Library is Lovelace’s Square’s answer. Designed as a living, evolving resource, The Library aims to centralize the knowledge, tools, and stories that define chemometrics while empowering researchers to contribute, adapt, and innovate. It is not just a monument to the past, but also, and importantly, a scaffold for the future.
References
[1] Kevin Wright. The NIPALS algorithm. 2017. Last access 05/04/2025. https://cran.r-project.org/web/packages/nipals/vignettes/nipals_algorithm.html
[2] Grung, B., & Manne, R. (1998). Missing values in principal component analysis. Chemometrics and Intelligent Laboratory Systems, 42(1-2), 125-139.
So, what is The Library?
The Library is one of the three pillars of Lovelace’s Square, and it serves as a structured, accessible space where chemometric methods, algorithms, and concepts are clearly explained. It functions as a practical knowledge base, bridging the gap between theory and real-world application. The primary goal of the Library is straightforward yet essential: to gather the most frequently used chemometric tools and methods and provide clear, applied, and contextually rich explanations.
Addressing modern challenges
One of the significant challenges today in learning chemometrics is the fragmentation of available resources, often compounded by paywalls that restrict access to important textbooks, scientific articles, and tutorials. Available materials differ greatly in:
🔍 Depth & accessibility
Materials range from surface-level overviews to impenetrable technical papers, making it difficult for both students and researchers to find clear, consistent guidance.
💸 Paywall barriers
Quality content is often locked behind expensive paywalls, restricting access to important textbooks and scientific articles.
🔗 Theory-practice gap
Theory and practical application are rarely well-connected, leaving gaps between understanding and implementation.
Our solution
The Library addresses this fragmentation by consolidating essential tools and methods into one unified resource. Each explanation is directly linked to practical, interactive examples, enabling users to quickly translate learning into practice.
To see this in action, you can even explore a well-known preprocessing example right here:
Example of an interactive Whittaker Smoother
Integrated learning environment
The Library, The Square, and Ada work together to create a comprehensive, adaptable learning experience:
📚→🔧 Theory to practice
Explanations in the Library are linked to live, interactive examples in The Square, allowing users to translate theory into practice effortlessly.
💬 AI-Driven support
Ada provides AI-driven support, offering quick guidance, code suggestions, and personalized learning recommendations.
🤝 Community contributions
Users can not only apply existing methods but also contribute new algorithms, tutorials, or datasets with clear, structured processes and collaborative review.
🔄 Continuous growth
This synergy enables users to fluidly move between learning, applying, and contributing, supporting both individual growth and collective advancement.
Navigating the Lovelace’s Square ecosystem
Beyond method-specific explanations, the Library provides practical guides that help users make the most of the entire Lovelace’s Square environment. These guides explain how to navigate between the Library, The Square, and Ada, ensuring that users can smoothly transition between learning, applying methods, and receiving intelligent support.
These resources empower users to navigate Lovelace’s Square confidently, apply chemometric methods effectively, and continuously expand their knowledge through community engagement.
Community-Driven growth and knowledge preservation
This collaborative approach preserves valuable knowledge, preventing its loss due to technological changes, shifts in research trends, or the retirement of experienced professionals. By maintaining an active dialogue within the community, the Library ensures that both scientific advancements and the historical and practical context surrounding them remain accessible and meaningful for current and future generations.
Get Involved: If you would like to contribute to the Library or collaborate on its continued development, please contact the Lovelace’s Square team through the official website at https://lovelacesquare.org or reach out directly via contact@lovelacesquare.org.