supplementary figure
Energy-based Autoregressive Generation for Neural Population Dynamics
Ge, Ningling, Dai, Sicheng, Zhu, Yu, Yu, Shan
Understanding brain function represents a fundamental goal in neuroscience, with critical implications for therapeutic interventions and neural engineering applications. Computational modeling provides a quantitative framework for accelerating this understanding, but faces a fundamental trade-off between computational efficiency and high-fidelity modeling. To address this limitation, we introduce a novel Energy-based Autoregressive Generation (EAG) framework that employs an energy-based transformer learning temporal dynamics in latent space through strictly proper scoring rules, enabling efficient generation with realistic population and single-neuron spiking statistics. Evaluation on synthetic Lorenz datasets and two Neural Latents Benchmark datasets (MC Maze and Area2 bump) demonstrates that EAG achieves state-of-the-art generation quality with substantial computational efficiency improvements, particularly over diffusion-based methods. Beyond optimal performance, conditional generation applications show two capabilities: generalizing to unseen behavioral contexts and improving motor brain-computer interface decoding accuracy using synthetic neural data. These results demonstrate the effectiveness of energy-based modeling for neural population dynamics with applications in neuroscience research and neural engineering.
Appendix A Supplementary figures
Compared with MHG, our proposed grammars have better generalization ability. In comparison, our grammar is based on neighboring relationships. From the 220,011 training molecules, we obtained 1,775 production rules. Each molecule is associated with 28 production rules on the average. The maximum number of production rules associated with a molecule is 51.
Analysis of Error Sources in LLM-based Hypothesis Search for Few-Shot Rule Induction
Parab, Aishni, Lu, Hongjing, Wu, Ying Nian, Gulwani, Sumit
Inductive reasoning enables humans to infer abstract rules from limited examples and apply them to novel situations. In this work, we compare an LLM-based hypothesis search framework with direct program generation approaches on few-shot rule induction tasks. Our findings show that hypothesis search achieves performance comparable to humans, while direct program generation falls notably behind. An error analysis reveals key bottlenecks in hypothesis generation and suggests directions for advancing program induction methods. Overall, this paper underscores the potential of LLM-based hypothesis search for modeling inductive reasoning and the challenges in building more efficient systems.
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- Information Technology > Artificial Intelligence > Machine Learning > Statistical Learning (1.00)
- Information Technology > Artificial Intelligence > Representation & Reasoning (0.93)
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Differential learning kinetics govern the transition from memorization to generalization during in-context learning
Transformers exhibit in-context learning (ICL): the ability to use novel information presented in the context without additional weight updates. Recent work shows that ICL emerges when models are trained on a sufficiently diverse set of tasks and the transition from memorization to generalization is sharp with increasing task diversity. One interpretation is that a network's limited capacity to memorize favors generalization. Here, we examine the mechanistic underpinnings of this transition using a small transformer applied to a synthetic ICL task. Using theory and experiment, we show that the sub-circuits that memorize and generalize can be viewed as largely independent. The relative rates at which these sub-circuits learn explains the transition from memorization to generalization, rather than capacity constraints. We uncover a memorization scaling law, which determines the task diversity threshold at which the network generalizes. The theory quantitatively explains a variety of other ICL-related phenomena, including the long-tailed distribution of when ICL is acquired, the bimodal behavior of solutions close to the task diversity threshold, the influence of contextual and data distributional statistics on ICL, and the transient nature of ICL.
Privacy-preserving federated prediction of pain intensity change based on multi-center survey data
Das, Supratim, Rafie, Mahdie, Kammer, Paula, Skou, Søren T., Grønne, Dorte T., Roos, Ewa M., Hajek, André, König, Hans-Helmut, Ullaha, Md Shihab, Probul, Niklas, Baumbacha, Jan, Baumbach, Linda
Background: Patient-reported survey data are used to train prognostic models aimed at improving healthcare. However, such data are typically available multi-centric and, for privacy reasons, cannot easily be centralized in one data repository. Models trained locally are less accurate, robust, and generalizable. We present and apply privacy-preserving federated machine learning techniques for prognostic model building, where local survey data never leaves the legally safe harbors of the medical centers. Methods: We used centralized, local, and federated learning techniques on two healthcare datasets (GLA:D data from the five health regions of Denmark and international SHARE data of 27 countries) to predict two different health outcomes. We compared linear regression, random forest regression, and random forest classification models trained on local data with those trained on the entire data in a centralized and in a federated fashion. Results: In GLA:D data, federated linear regression (R2 0.34, RMSE 18.2) and federated random forest regression (R2 0.34, RMSE 18.3) models outperform their local counterparts (i.e., R2 0.32, RMSE 18.6, R2 0.30, RMSE 18.8) with statistical significance. We also found that centralized models (R2 0.34, RMSE 18.2, R2 0.32, RMSE 18.5, respectively) did not perform significantly better than the federated models. In SHARE, the federated model (AC 0.78, AUROC: 0.71) and centralized model (AC 0.84, AUROC: 0.66) perform significantly better than the local models (AC: 0.74, AUROC: 0.69). Conclusion: Federated learning enables the training of prognostic models from multi-center surveys without compromising privacy and with only minimal or no compromise regarding model performance.
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- Health & Medicine > Therapeutic Area > Musculoskeletal (1.00)
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Mutagenesis screen to map the functionals of parameters of Large Language Models
Hu, Yue, Hu, Kai, Zhao, Patrick X., Khan, Javed, Xu, Chengming
Large Language Models (LLMs) have significantly advanced artificial intelligence, excelling in numerous tasks. Although the functionality of a model is inherently tied to its parameters, a systematic method for exploring the connections between the parameters and the functionality are lacking. Models sharing similar structure and parameter counts exhibit significant performance disparities across various tasks, prompting investigations into the varying patterns that govern their performance. We adopted a mutagenesis screen approach inspired by the methods used in biological studies, to investigate Llama2-7b and Zephyr. This technique involved mutating elements within the models' matrices to their maximum or minimum values to examine the relationship between model parameters and their functionalities. Our research uncovered multiple levels of fine structures within both models. Many matrices showed a mixture of maximum and minimum mutations following mutagenesis, but others were predominantly sensitive to one type. Notably, mutations that produced phenotypes, especially those with severe outcomes, tended to cluster along axes. Additionally, the location of maximum and minimum mutations often displayed a complementary pattern on matrix in both models, with the Gate matrix showing a unique two-dimensional asymmetry after rearrangement. In Zephyr, certain mutations consistently resulted in poetic or conversational rather than descriptive outputs. These "writer" mutations grouped according to the high-frequency initial word of the output, with a marked tendency to share the row coordinate even when they are in different matrices. Our findings affirm that the mutagenesis screen is an effective tool for deciphering the complexities of large language models and identifying unexpected ways to expand their potential, providing deeper insights into the foundational aspects of AI systems.
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Investigating the dissemination of STEM content on social media with computational tools
Oshinowo, Oluwamayokun, Delgado, Priscila, Fay, Meredith, Luna, C. Alessandra, Dissanayaka, Anjana, Jeltuhin, Rebecca, Myers, David R.
These authors contributed equally to this work *Corresponding author. Abstract: Social media platforms can quickly disseminate STEM content to diverse audiences, but their operation can be mysterious. We used open-source machine learning methods such as clustering, regression, and sentiment analysis to analyze over 1000 videos and metrics thereof from 6 social media STEM creators. Our data provide insights into how audiences generate interest signals(likes, bookmarks, comments, shares), on the correlation of various signals with views, and suggest that content from newer creators is disseminated differently. We also share insights on how to optimize dissemination by analyzing data available exclusively to content creators as well as via sentiment analysis of comments. Introduction: Social media platforms such as Instagram, TikTok, and YouTube provide a new venue to promote STEM education, inspire the next generation of diverse scientists, and share knowledge to lower barriers to academia(1-3). Unlike many existing venues, social media is broadly accessible and not limited to those with significant resources devoted to their education. Content can be quickly disseminated to large diverse audiences of all ages and backgrounds(4).
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Protein language model rescue mutations highlight variant effects and structure in clinically relevant genes
Soylemez, Onuralp, Cordero, Pablo
Despite being self-supervised, protein language models have shown remarkable performance in fundamental biological tasks such as predicting impact of genetic variation on protein structure and function. The effectiveness of these models on diverse set of tasks suggests that they learn meaningful representations of fitness landscape that can be useful for downstream clinical applications. Here, we interrogate the use of these language models in characterizing known pathogenic mutations in curated, medically actionable genes through an exhaustive search of putative compensatory mutations on each variant's genetic background. Systematic analysis of the predicted effects of these compensatory mutations reveal unappreciated structural features of proteins that are missed by other structure predictors like AlphaFold. While deep mutational scan experiments provide an unbiased estimate of the mutational landscape, we encourage the community to generate and curate rescue mutation experiments to inform the design of more sophisticated co-masking strategies and leverage large language models more effectively for downstream clinical prediction tasks.
Leveraging variational autoencoders for multiple data imputation
Roskams-Hieter, Breeshey, Wells, Jude, Wade, Sara
Missing data persists as a major barrier to data analysis across numerous applications. Recently, deep generative models have been used for imputation of missing data, motivated by their ability to capture highly non-linear and complex relationships in the data. In this work, we investigate the ability of deep models, namely variational autoencoders (VAEs), to account for uncertainty in missing data through multiple imputation strategies. We find that VAEs provide poor empirical coverage of missing data, with underestimation and overconfident imputations, particularly for more extreme missing data values. To overcome this, we employ $\beta$-VAEs, which viewed from a generalized Bayes framework, provide robustness to model misspecification. Assigning a good value of $\beta$ is critical for uncertainty calibration and we demonstrate how this can be achieved using cross-validation. In downstream tasks, we show how multiple imputation with $\beta$-VAEs can avoid false discoveries that arise as artefacts of imputation.
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