Description

The idea of this seminar is to make the students familiar with basic algorithms in the field of artificial intelligence (AI). We will not cover neural networks, machine learning or deep learning as this is beyond the scope of this seminar. Alongside with basic AI we also want to introduce explainability. Explainable AI (XAI) is gaining more and more importance in recent years as AI systems take over in various fields. Two prominent examples are self-driving cars and medical diagnosis. Both require lots of confidence in AI and therefore it is of huge importance to be able to understand and comprehend decisions made by AI systems.

Other than in normal proseminars, you will get practical experience with the algorithms and implementations. You will implement one of the XAI algorithms for an AI algorithm (based on the sklearn pipeline) and present both together with the results in a 20 minutes presentation. Additionally, you will write a 5-pages report about your findings.

Despite the seminar officially is called "Explainability in AI for Drug Discovery" we will not discuss papers applying explainability techniques to AI models used to aid drug discovery. But we will dive deep into these explainability techniques to discuss and understand them. A good overview for XAI in drug discovery and this seminar is provided in Jiménez-Luna et al. published in Nature.

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Requirements

The following requirements are not strictly enforced but will make your life way easier in the seminar. Basic knowledge in:

What Do You Need To Do?

How Are the Grades Computed?

Presentation
30%
Notebook
30%
Report
30%
Report
10%

Presentation (30%)

Assessed on clarity, depth of understanding, and the quality of your answers to audience questions.

Notebook (30%)

We will check for:

Report (30%)

The report should include:

Participation (20%)

Active engagement during other students' presentations. Ask questions — it counts toward your grade and improves the seminar for everyone.

Plagiarism

We will check every submission for plagiarism with TurnItIn. This is an online tool automatically checking submissions for plagiarism. You are free (and encouraged) to use it before submitting your final report. Following the link above, you can login with your UdS-credentials (as you use for the students email) and use TurnItIn for free. With attendance of this seminar, you agree that we upload your report to TurnItIn.

If we detect plagiarism in your work, you will have the chance to explain yourself. Ultimately, you will fail this seminar if your explanation is not convincing.

Registration

Please register to this seminar by writing an email to Roman Joeres before 30.04.2023 23:59. Please also attach your transcript of records which can be downloaded from the LSF/HISPOS.

Organisational Details

📅 The seminar will be held as a block seminar at the last week of September in 2023.

🎓 Students earn 7 credit points (CP) for passing this seminar.

👥 Maximum number of participants: 9.

🌐 Seminar language: English.

⭐ Bioinformatics students and students with no prior seminar will be preferred.

📋 Registration in LSF/HISPOS will be available later and communicated in time.

In case of questions , contact Roman Joeres (roman.joeres[at]helmholtz-hips.de) using "[XAI Seminar]" in the subject.

Important Dates

[30.04.2023, 23:59] Registration deadline
[08.05.2023, 15:00] Kick-off meeting — room 106 in E2.1 (CBI building)
[15.09.2023, 23:59] Submission deadline for final draft of slide set
[29.09.2023] Presentation days
[13.10.2023, 23:59] Submission of report and notebook

Topics

All notebooks will deal with the Breast Cancer Dataset from the sklearn package to compare the algorithms performance and have interpretable features and comparable features. We will mainly rely on the sklearn python library. Topics 1. and 2. will explained based on their implicitly computed feature importance. Topics 3. and 4. apply their XAI technique to a linear regression model. From topic 5 on, you will explain a neural network as true black box.

  1. Decision Trees and Random Forrest with Gini Index Assigned to: Jis Kochuniravathu Saji
  2. Support Vector Classifier with Linear Kernel Assigned to: Kriti Maurya
  3. SHAP Assigned to: Shilpa Sharma
  4. LIME Assigned to: Annmariya Elayanithottathil Sebastian
  5. Permutation Feature Importance Assigned to: Evgenia Khodzhaeva
  6. DiCE Assigned to: Jibin Varghese
  7. NiCE Assigned to: Muhammad Hamid

Additional reading, papers that help understanding the bigger picture: