Large-scale pre-training has shown great potential to enhance models on downstream tasks in vision and language. Developing similar techniques for scalp electroencephalogram (EEG) is suitable since unlabelled data is plentiful.

Our algorithm is based on the semidefinite program (SDP) relaxation of the non-convexl1-regularized PCA problem.

Drug recommendation is an essential task in machine learning-based clinical decision support systems. However, the risk of drug-drug interactions (DDI) between co-prescribed medications remains a significant challenge. Previous studies have used graph neural networks (GNNs) to represent drug structures. Regardless, their simplified discrete forms cannot fully capture the molecular binding affinity and reactivity. Therefore, we propose Multimodal DDI Prediction with Molecular Electron Localization Function (ELF) Maps (MMM), a novel framework that integrates three-dimensional (3D) quantum-chemical information into drug representation learning. It generates 3D electron density maps using the ELF. To capture both therapeutic relevance and interaction risks, MMM combines ELF-derived features that encode global electronic properties with a bipartite graph encoder that models local substructure interactions. This design enables learning complementary characteristics of drug molecules. We evaluate MMM in the MIMIC-III dataset (250 drugs, 442 substructures), comparing it with several baseline models. In particular, a comparison with the GNN-based SafeDrug model demonstrates statistically significant improvements in the F1-score (p = 0.0387), Jaccard (p = 0.0112), and the DDI rate (p = 0.0386). These results demonstrate the potential of ELF-based 3D representations to enhance prediction accuracy and support safer combinatorial drug prescribing in clinical practice.

Large-scale pre-training has shown great potential to enhance models on downstream tasks in vision and language. Developing similar techniques for scalp electroencephalogram (EEG) is suitable since unlabelled data is plentiful.

Unlike Marketing Mix Models (MMMs) which rely on scalar inputs and parametric decay functions, NNN uses rich embeddings to capture both quantitative and qualitative aspects of marketing and organic channels (e.g., search queries, ad creatives). This, combined with its attention mechanism, potentially enables NNN to model complex interactions, capture long-term effects, and improve sales attribution accuracy. We show that L1 regularization permits the use of such expressive models in typical data-constrained settings. Evaluating NNN on simulated and real-world data demonstrates its efficacy, particularly through considerable improvement in predictive power. In addition to marketing measurement, the NNN framework can provide valuable, complementary insights through model probing, such as evaluating keyword or creative effectiveness.

Social robots (SRs) should autonomously interact with humans, while exhibiting proper social behaviors associated to their role. By contributing to health-care, education, and companionship, SRs will enhance life quality. However, personalization and sustaining user engagement remain a challenge for SRs, due to their limited understanding of human mental states. Accordingly, we leverage a recently introduced mathematical dynamic model of human perception, cognition, and decision-making for SRs. Identifying the parameters of this model and deploying it in behavioral steering system of SRs allows to effectively personalize the responses of SRs to evolving mental states of their users, enhancing long-term engagement and personalization. Our approach uniquely enables autonomous adaptability of SRs by modeling the dynamics of invisible mental states, significantly contributing to the transparency and awareness of SRs. We validated our model-based control system in experiments with 10 participants who interacted with a Nao robot over three chess puzzle sessions, 45 - 90 minutes each. The identified model achieved a mean squared error (MSE) of 0.067 (i.e., 1.675% of the maximum possible MSE) in tracking beliefs, goals, and emotions of participants. Compared to a model-free controller that did not track mental states of participants, our approach increased engagement by 16% on average. Post-interaction feedback of participants (provided via dedicated questionnaires) further confirmed the perceived engagement and awareness of the model-driven robot. These results highlight the unique potential of model-based approaches and control theory in advancing human-SR interactions.

Curriculum Learning has been a popular strategy to improve the cognitive plausibility of Small-Scale Language Models (SSLMs) in the BabyLM Challenge. However, it has not led to considerable improvements over non-curriculum models. We assess whether theoretical linguistic acquisition theories can be used to specify more fine-grained curriculum learning strategies, creating age-ordered corpora of Child-Directed Speech for four typologically distant language families to implement SSLMs and acquisition-inspired curricula cross-lingually. Comparing the success of three objective curricula (Growing, Inwards and MMM) that precisely replicate the predictions of acquisition theories on a standard SSLM architecture, we find fine-grained acquisition-inspired curricula can outperform non-curriculum baselines and performance benefits of curricula strategies in SSLMs can be derived by specifying fine-grained language-specific curricula that precisely replicate language acquisition theories.

This paper introduces the Stable Matching Based Pairing (SMBP) algorithm, a high-performance external validity index for clustering evaluation in large-scale datasets with a large number of clusters. SMBP leverages the stable matching framework to pair clusters across different clustering methods, significantly reducing computational complexity to $O(N^2)$, compared to traditional Maximum Weighted Matching (MWM) with $O(N^3)$ complexity. Through comprehensive evaluations on real-world and synthetic datasets, SMBP demonstrates comparable accuracy to MWM and superior computational efficiency. It is particularly effective for balanced, unbalanced, and large-scale datasets with a large number of clusters, making it a scalable and practical solution for modern clustering tasks. Additionally, SMBP is easily implementable within machine learning frameworks like PyTorch and TensorFlow, offering a robust tool for big data applications. The algorithm is validated through extensive experiments, showcasing its potential as a powerful alternative to existing methods such as Maximum Match Measure (MMM) and Centroid Ratio (CR).

Understanding how the brain represents and processes information is crucial for advancing neuroscience and artificial intelligence. Representational similarity analysis (RSA) has been instrumental in characterizing neural representations, but traditional RSA relies solely on geometric properties, overlooking crucial topological information. This thesis introduces Topological RSA (tRSA), a novel framework combining geometric and topological properties of neural representations. tRSA applies nonlinear monotonic transforms to representational dissimilarities, emphasizing local topology while retaining intermediate-scale geometry. The resulting geo-topological matrices enable model comparisons robust to noise and individual idiosyncrasies. This thesis introduces several key methodological advances: (1) Topological RSA (tRSA) for identifying computational signatures and testing topological hypotheses; (2) Adaptive Geo-Topological Dependence Measure (AGTDM) for detecting complex multivariate relationships; (3) Procrustes-aligned Multidimensional Scaling (pMDS) for revealing neural computation stages; (4) Temporal Topological Data Analysis (tTDA) for uncovering developmental trajectories; and (5) Single-cell Topological Simplicial Analysis (scTSA) for characterizing cell population complexity. Through analyses of neural recordings, biological data, and neural network simulations, this thesis demonstrates the power and versatility of these methods in understanding brains, computational models, and complex biological systems. They not only offer robust approaches for adjudicating among competing models but also reveal novel theoretical insights into the nature of neural computation. This work lays the foundation for future investigations at the intersection of topology, neuroscience, and time series analysis, paving the way for more nuanced understanding of brain function and dysfunction.

Artificial intelligence workloads, especially transformer models, exhibit emergent sparsity in which computations perform selective sparse access to dense data. The workloads are inefficient on hardware designed for dense computations and do not map well onto sparse data representations. We build a vectorized and parallel matrix-multiplication system A X B = C that eliminates unnecessary computations and avoids branches based on a runtime evaluation of sparsity. We use a combination of dynamic code lookup to adapt to the specific sparsity encoded in the B matrix and preprocessing of sparsity maps of the A and B matrices to compute conditional branches once for the whole computation. For a wide range of sparsity, from 60% to 95% zeros, our implementation performs fewer instructions and increases performance when compared with Intel MKL's dense or sparse matrix multiply routines. Benefits can be as large as 2 times speedup and 4 times fewer instructions.