Review of automation's role in chemical discoveries.
problem Improving autonomous discovery in chemistry.
method Classification of discovery types, assessment of autonomy, case studies.
result Rapid advancements in automation and machine learning are transforming experimentation and modeling.
Review of automation's role in chemical discovery, emphasizing future challenges.
problem Improving automation's contribution to chemical discovery.
method Analysis of exemplary studies and open research directions.
result Future autonomous systems need improvement in data handling, model building, and experiment automation.
Automates discovery of interpretable Lagrangians from data.
problem Lack of interpretable Lagrangian discovery methods.
method Data-driven machine learning algorithm to derive interpretable Lagrangians.
result Automated discovery of interpretable Lagrangians and conservation laws.
Automated PDE discovery from multiple noisy experiments.
problem Inherent variability in experiments makes single experiment inference unreliable.
method Randomised adaptive group Lasso sparsity estimator in deep learning framework.
result More generalizable PDEs found from multiple datasets.
AI helps in drug discovery with understandable explanations.
problem Understanding the complex models behind AI-generated drugs.
method Explainable AI methods to interpret deep learning models.
result Improved interpretability of AI-generated drug properties.
New method recovers PDEs from noisy data, even when conditions are violated.
problem Discovering PDEs from noisy, limited data.
method Randomized adaptive Lasso integrated into DeepMod.
result Recovery of PDEs with higher noise-to-sample ratios and single hyperparameters.
Study uses LLMs to automate data insights discovery.
problem Extracting relevant insights from large data sets.
method Capture the Flag principle, LLMs, reasoning, code generation.
result LLMs can recognize meaningful data insights.
Bayesian symbolic regression automates model discovery from data.
problem Learning closed-form mathematical models from data using heuristic methods.
method Probabilistic approach to symbolic regression, connecting to information theory and statistical physics.
result Probabilistic approach provides model plausibility and performance guarantees.
TSML tackles anomaly detection and pattern discovery in industrial time series data.
problem Extracting and exploiting information from large industrial data to reduce downtimes and manufacturing errors.
method TSML uses a pipeline of lightweight filters to process industrial time series data in parallel.
result TSML effectively detects anomalies and discovers patterns in industrial time series data.
Automated discovery of adaptive attacks improves adversarial defense evaluation.
problem Challenges in reliably evaluating adversarial defenses.
method Formalizes adaptive attacks as reusable building blocks in a search space for automatic discovery.
result Our tool discovers significantly stronger attacks than AutoAttack, improving adversarial defense evaluation.
New methods for Markov Blanket discovery using MML outperform existing approaches.
problem Causal discovery from large datasets.
method Developed three new methods of Markov Blanket discovery using Minimum Message Length.
result Our best MML method is consistently competitive and has advantageous features.
Optimal algorithm selects biological models without prior info.
problem Determining the correct biological model without prior knowledge.
method Systems biology models and likelihood-free inference.
result Improved model selection performance over conventional methods.
ChemCrow enhances LLMs for chemistry tasks, automating complex chemical processes.
problem Limited access to computational chemistry tools for large-language models.
method Integrating 18 expert-designed chemistry tools into an LLM (ChemCrow).
result ChemCrow autonomously plans and executes chemical syntheses and discoveries.
In recent years the possibility of relaxing the so-called Faithfulness assumption in automated causal discovery has been investigated. The investigation showed (1) that the Faithfulness assumption can be weakened in various ways that in an important sense preserve its power, and (2) that weakening of Faithfulness may h…
Probabilistic grammars improve equation discovery from data.
problem Discovering scientific laws from data using equations.
method Proposed probabilistic context-free grammars to encode soft constraints and a Monte-Carlo algorithm.
result Probabilistic grammars lead to more efficient equation discovery.
Automated digital twin discovery from biological data improves drug discovery and personalized medicine.
problem Developing reliable digital twins from noisy, incomplete biological data.
method Symbolic and sparse regression, Bayesian frameworks, deep learning, and large language models.
result Sparse regression generally outperforms symbolic regression, especially with Bayesian frameworks.
AutoSciDACT detects scientific anomalies in noisy data.
problem Detecting anomalies in large, noisy scientific datasets.
method Contrastive pre-training for low-dimensional data representations, two-sample test using NPLM.
result Strong sensitivity to small anomalies across various scientific domains.
Automates discovering PDEs from data in dynamical systems.
problem Identifying PDEs from data in dynamical systems is challenging.
method ARGOS-RAL framework using sparse regression with recurrent adaptive lasso.
result ARGOS-RAL effectively identifies PDEs from noisy and non-uniformly distributed data.
GPR enhances materials discovery by automating parameter space exploration.
problem Automating exploration of large, high-dimensional parameter spaces in materials science.
method Gaussian process regression with inhomogeneous measurement noise and anisotropic kernels.
result Importance and benefits of tuning GPR for materials science experiments.
Automated detection of new, interesting, unusual, or anomalous images within large data sets has great value for applications from surveillance (e.g., airport security) to science (observations that don't fit a given theory can lead to new discoveries). Many image data analysis systems are turning to convolutional neur…
Machine learning (ML) and artificial intelligence (AI) algorithms are now being used to automate the discovery of physics principles and governing equations from measurement data alone. However, positing a universal physical law from data is challenging without simultaneously proposing an accompanying discrepancy model…
Bayesian methods improve drug discovery experiment design.
problem Optimizing drug screening experiments in high-dimensional data.
method Bayesian inference and optimisation with upper confidence bound algorithms, Thompson sampling, and sparse tree search.
result Sparse tree search techniques outperform other methods in drug toxicity screening.
Automated process discovery is a class of process mining methods that allow analysts to extract business process models from event logs. Traditional process discovery methods extract process models from a snapshot of an event log stored in its entirety. In some scenarios, however, events keep coming with a high arrival…
This work presents MeKDDaM-SAGA, computer-aided automation software for implementing a novel knowledge discovery and data mining process model that was designed for performing justifiable, traceable and reproducible metabolomics data analysis. The process model focuses on achieving metabolomics analytical objectives an…
Quantum effects are known to provide an advantage in particle transfer across networks. In order to achieve this advantage, requirements on both a graph type and a quantum system coherence must be found. Here we show that the process of finding these requirements can be automated by learning from simulated examples. Th…
Process mining is a research field focused on the analysis of event data with the aim of extracting insights in processes. Applying process mining techniques on data from smart home environments has the potential to provide valuable insights in (un)healthy habits and to contribute to ambient assisted living solutions. …
This paper analyzes and compares different Automated Market Maker mechanisms.
problem Impermanent loss in Constant Function Market Makers.
method Mean-Variance analysis of liquidity providers' profit and loss, comparison of different mechanisms.
result Optimized oracle-based mechanisms outperform Constant Function Market Makers.
The study presents a general framework for discovering underlying Partial Differential Equations (PDEs) using measured spatiotemporal data. The method, called Sparse Spatiotemporal System Discovery (S3d), decides which physical terms are necessary and which can be removed (because they are physically n…
Bayesian framework discovers interpretable Lagrangian from data.
problem Discovering physical laws from limited data.
method Sparse Bayesian approach for learning interpretable Lagrangian.
result Automates Hamiltonian discovery from Lagrangian and provides ODE/PDE descriptions.
Protocol minimizes disclosure in classification tasks.
problem Ensuring minimal disclosure in classification protocols.
method Developed a protocol for multi-party classification that minimizes non-responsive document disclosure.
result Guarantees minimal disclosure of non-responsive documents.
This thesis relaxes assumptions for causal discovery, making methods applicable to more complex systems.
problem Learning causal structures from observational data with latent variables.
method Alternative definition of k-Triangle Faithfulness for non-Gaussian distributions and uniform consistency proof.
result Uniform consistency of causal discovery algorithm under modified faithfulness assumption.
This study compares price discovery in ETH and BTC markets between centralized and decentralized exchanges.
problem Understanding price discovery dynamics in cryptocurrency markets.
method Comparative analysis of centralized and decentralized exchanges, using econometric tools.
result Centralized exchanges lead in ETH price discovery, while futures markets lead in BTC.
The roundworm C. elegans exhibits robust escape behavior in response to rapidly rising temperature. The behavior lasts for a few seconds, shows history dependence, involves both sensory and motor systems, and is too complicated to model mechanistically using currently available knowledge. Instead we model the process p…
Automates kernel discovery for longitudinal data analysis.
problem Handling irregularly sampled, sparse longitudinal data with multilevel correlation.
method Combines deep neural networks and non-parametric kernel methods to discover complex multilevel correlation structure.
result Significantly outperforms state-of-the-art methods on benchmark data sets.
PySR method automates discovering equations from data in chaotic dynamics and epidemics.
problem Discovering equations from complex data in dynamical systems.
method Symbolic regression methods, focusing on PySR.
result PySR method efficiently infers equations from chaotic dynamics and epidemic models, matching original forms.
Causal discovery algorithms can help generate legal arguments.
problem Leveraging causal discovery algorithms in legal decision-making.
method Prepared a legal dataset, annotated with 17 legal concepts, applied causal discovery algorithms, and quantified degrees of belief.
result Some causal relationships help generate viable legal arguments.
Generative AI improves stock selection by synthesizing features from diverse data sources.
problem Automating feature discovery in stock market data.
method Used large language models with retrieval-augmented generation and structured prompting to synthesize features from various data sources.
result AI-generated features consistently outperform baselines, with Sharpe improvements ranging from 14% to 91%.
The waggle dance that honeybees perform is an astonishing way of communicating the location of food source. After over 60 years of its discovery, researchers still use manual labeling by watching hours of dance videos to detect different transitions between dance components thus extracting information regarding the dis…
Job transitions and upskilling are common actions taken by many industry working professionals throughout their career. With the current rapidly changing job landscape where requirements are constantly changing and industry sectors are emerging, it is especially difficult to plan and navigate a predetermined career pat…
Enhances KANs for accuracy and interpretability with multi-exit architecture.
problem Unclear optimal depth for KANs and difficulty in optimization and interpretation.
method Introduces multi-exit KANs with each layer having its own prediction branch.
result Multi-exit KANs outperform single-exit versions on various datasets.
Unified platform for statistical and machine learning in bioinformatics.
problem Workflow inefficiencies in using multiple tools for data analysis.
method Automated hyperparameter optimization, feature importance analysis, statistical tests.
result Accelerates biological discovery workflows with methodological soundness.
Derives token price process for AMM tokens, finds leverage effect and pricing discrepancies.
problem Derives token price process for AMM tokens.
method Derives CEV process for token price, derives closed-form option prices, introduces liquidity-adjusted Greeks.
result Token price process is CEV, with leverage effect and pricing discrepancies.
This paper introduces a new system for discovering patterns in morphogenetic systems using modular architecture and unsupervised learning.
problem Discovering novel patterns in morphogenetic systems is challenging and often relies on manual tuning.
method Introduces a hierarchical, modular architecture for unsupervised learning of diverse representations combined with goal exploration algorithms.
result The new system efficiently adapts diversity search towards user preferences with minimal feedback.
Perinatal stroke (PS) is a serious condition that, if undetected and thus untreated, often leads to life-long disability, in particular Cerebral Palsy (CP). In clinical settings, Prechtl's General Movement Assessment (GMA) can be used to classify infant movements using a Gestalt approach, identifying infants at high ri…
Paper proposes SCQ and P-TAMS for structured OOD testing in high-stakes ML.
problem Difficulty of incorporating auxiliary information in traditional conformal methods.
method Structure-adaptive conformal q-value (SCQ) and pseudo-score-guided transductive automated model selection (P-TAMS).
result Unified framework controls false discovery rate and improves power across diverse settings.
Automates research and development process by evaluating model capabilities.
problem Expanding experimental burden due to reading and verifying research directions.
method Proposes RD2Bench, a benchmark for evaluating data-centric automatic R&D.
result Demonstrates promising potential of LLMs in automating R&D process.
Many real world tasks such as reasoning and physical interaction require identification and manipulation of conceptual entities. A first step towards solving these tasks is the automated discovery of distributed symbol-like representations. In this paper, we explicitly formalize this problem as inference in a spatial m…
Bin2vec learns executable program representations for security tasks.
problem Manual rule and heuristic definition for binary program analysis is tedious and time-consuming.
method Bin2vec uses Graph Convolutional Networks (GCN) on computational program graphs.
result Improvement over state-of-the-art methods for binary analysis tasks.