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Thermodynamically Consistent Latent Dynamics Identification for Parametric Systems

  • A new thermodynamics-informed latent space dynamics identification framework, tLaSDI, has been proposed for modeling parametric nonlinear dynamical systems.
  • The framework combines autoencoders for dimensionality reduction with parametric GENERIC formalism-informed neural networks (pGFINNs) to efficiently learn parametric latent dynamics while upholding thermodynamic principles like free energy conservation and entropy generation.
  • A physics-informed active learning strategy is included to improve model performance through adaptive sampling of training data based on a residual-based error indicator, resulting in better outcomes than uniform sampling at the same computational cost.
  • Numerical experiments on different equations demonstrate that the proposed method achieves significant speed-up, reduced relative errors, and lower training and inference costs, while also providing insights into the thermodynamic behavior of the system through learned latent space dynamics.

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Explaining, Fast and Slow: Abstraction and Refinement of Provable Explanations

  • Recent advancements have shown the possibility of obtaining explanations with formal guarantees for neural networks using verification techniques.
  • A novel abstraction-refinement technique has been proposed to efficiently compute provably sufficient explanations of neural network predictions.
  • The method involves abstracting the original neural network into a reduced network to speed up the verification process.
  • Experiments show that this approach improves the efficiency of obtaining provably sufficient explanations for neural network predictions.

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Arxiv

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DiffGradCAM: A Universal Class Activation Map Resistant to Adversarial Training

  • Class Activation Mapping and its variants are commonly used for explaining Convolutional Neural Network predictions.
  • Standard CAMs are vulnerable to adversarial manipulation like passive fooling, leading to misleading CAMs without affecting decision performance.
  • To address this vulnerability, Salience-Hoax Activation Maps (SHAMs) are introduced as a benchmark for CAM robustness under adversarial conditions.
  • DiffGradCAM, a novel approach to class activation mapping, is proposed to be resistant to passive fooling and matches standard CAM methods in non-adversarial cases.

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NeurIPS 2024 ML4CFD Competition: Results and Retrospective Analysis

  • The integration of machine learning (ML) into physical sciences is transforming computational paradigms, aiming to enhance simulations like computational fluid dynamics (CFD).
  • ML4CFD competition was organized to improve accuracy, generalization, and physical consistency of ML models for aerodynamic simulations over two-dimensional airfoils.
  • Over 240 teams participated in the competition, utilizing a dataset from OpenFOAM and evaluated based on predictive accuracy, physical fidelity, computational efficiency, and generalization.
  • Retrospective analysis of the competition revealed top-performing approaches surpassing traditional solvers, showcasing the potential of ML-based surrogates in scientific simulations.

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Leveraging chaos in the training of artificial neural networks

  • Researchers have explored the dynamics of artificial neural network trajectory during training with unconventional large learning rates.
  • For certain learning rate values, the optimization shifts from exploitation-like to exploration-exploitation balance, leading to sensitive dependence on initial conditions.
  • Training time to achieve acceptable accuracy in the test set reduces to a minimum in this regime, indicating accelerated training of neural networks near the onset of chaos.
  • The study, initially demonstrated on the MNIST classification task, shows the constructive role of transient chaotic dynamics in training artificial neural networks across various learning tasks and architectures.

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Robust Evolutionary Multi-Objective Network Architecture Search for Reinforcement Learning (EMNAS-RL)

  • Evolutionary Multi-Objective Network Architecture Search (EMNAS) introduced for optimizing neural network architectures in large-scale Reinforcement Learning (RL) for Autonomous Driving.
  • EMNAS uses genetic algorithms to automate network design to enhance rewards and reduce model size without performance compromise.
  • Parallelization techniques and teacher-student methodologies are employed to accelerate the search and ensure scalable optimization.
  • Experimental results show EMNAS outperforms manually designed models, achieving higher rewards with fewer parameters, contributing to better-performing networks for real-world autonomous driving scenarios.

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DeepForm: Reasoning Large Language Model for Communication System Formulation

  • DeepForm is introduced as the first reasoning Large Language Model (LLM) specifically designed for automated communication system formulation.
  • A large-scale, open-source dataset named Communication System Formulation Reasoning Corpus (CSFRC) is presented for training the DeepForm model in this domain.
  • DeepForm utilizes a two-stage training approach: Supervised Fine-Tuning with Chain-of-Thought (CoT) data for domain knowledge distillation, followed by a rule-based Reinforcement Learning (RL) algorithm, C-ReMax, for advanced modeling capabilities and reasoning patterns.
  • Extensive experiments show that DeepForm achieves state-of-the-art performance, surpassing larger proprietary LLMs in various scenarios, and related resources will be released to encourage future research in this field.

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The Geometries of Truth Are Orthogonal Across Tasks

  • Recent works have proposed examining the activations produced by Large Language Models (LLMs) at inference time to assess the correctness of their answers.
  • These works suggest that a 'geometry of truth' can be learned, where activations for correct answers differ from those producing mistakes.
  • However, a limitation highlighted is that these 'geometries of truth' are task-dependent and do not transfer across different tasks.
  • Linear classifiers trained across distinct tasks show little similarity, even with more sophisticated approaches, as activation vectors used to classify answers form separate clusters when examined across tasks.

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SLEEPYLAND: trust begins with fair evaluation of automatic sleep staging models

  • SLEEPYLAND is an open-source sleep staging evaluation framework designed to address challenges in model evaluation, generalization, bias, and human annotations.
  • It includes over 22,000 hours of in-domain (ID) sleep recordings and 84,000 hours of out-of-domain (OOD) sleep recordings.
  • SOMNUS, an ensemble combining models across architectures and channel setups, achieves robust performance across twenty-four different datasets, outperforming individual models in 94.9% of cases.
  • In evaluations on multi-annotated datasets, SOMNUS exceeds the best human scorer, better reproducing the scorer consensus than any individual expert.

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Flow Matching Meets PDEs: A Unified Framework for Physics-Constrained Generation

  • A new generative framework called Physics-Based Flow Matching (PBFM) has been introduced to embed physical constraints into flow matching objectives.
  • PBFM jointly minimizes flow matching loss and physics-based residual loss without requiring hyperparameter tuning of their relative weights.
  • Temporal unrolling during training time is utilized to improve the accuracy of noise-free sample prediction.
  • Extensive benchmarks on three PDE problems show that PBFM yields up to an 8 times more accurate physical residuals compared to existing algorithms, making it efficient for surrogate modeling and accelerated simulation in physics and engineering applications.

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Sample Efficient Demonstration Selection for In-Context Learning

  • The in-context learning paradigm with Large Language Models (LLMs) has been crucial for advancing various natural language processing tasks.
  • Exemplar selection is important for constructing effective prompts within context-length budget constraints, and it is formulated as a top-m best arms identification problem.
  • A new sample-efficient selective exploration strategy called Challenger Arm Sampling for Exemplar selection (CASE) is proposed to reduce sample complexity in exemplar selection tasks.
  • CASE achieves up to a 7x speedup in runtime, requires 7x fewer LLM calls, and provides an 87% reduction compared to existing exemplar selection methods, without compromising performance.

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HSG-12M: A Large-Scale Spatial Multigraph Dataset

  • Introduction of HSG-12M, a large-scale dataset of spatial multigraphs embedded in a metric space.
  • HSG-12M contains 11.6 million static and 5.1 million dynamic Hamiltonian spectral graphs across 1401 characteristic-polynomial classes.
  • The dataset is derived from 177 TB of spectral potential data, encoding the full geometry of a 1-D crystal's energy spectrum on the complex plane.
  • Release of Poly2Graph pipeline allows mapping of arbitrary 1-D crystal Hamiltonians to spectral graphs, presenting new challenges and opportunities in graph learning.

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Time Series Representations for Classification Lie Hidden in Pretrained Vision Transformers

  • Time series classification is a crucial task in healthcare and industry, hindered by limited time series foundation models (TSFMs) due to lack of datasets.
  • A new framework called Time Vision Transformer (TiViT) is introduced, converting time series data into images to utilize pretrained Vision Transformers (ViTs) from image datasets.
  • Theoretical analysis shows that patching ViTs for time series can enhance label-relevant tokens and decrease sample complexity.
  • TiViT achieves top performance on time series benchmarks by leveraging hidden representations from large OpenCLIP models, emphasizing the effectiveness of intermediate layers for classification.

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Semi-gradient DICE for Offline Constrained Reinforcement Learning

  • Stationary Distribution Correction Estimation (DICE) helps address the mismatch between stationary distribution induced by a policy and the target distribution required for reliable off-policy evaluation and policy optimization.
  • Recent approaches to enhance offline reinforcement learning performance inadvertently hinder DICE's ability for off-policy evaluation, especially in constrained reinforcement learning scenarios.
  • The limitation in recent approaches is attributed to their dependence on semi-gradient optimization, leading to failures in cost estimation in the DICE framework.
  • A novel method called semi-gradient DICE is proposed to overcome limitations and improve off-policy evaluation and performance in offline constrained reinforcement learning, achieving state-of-the-art results on the DSRL benchmark.

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Fusing Cross-modal and Uni-modal Representations: A Kronecker Product Approach

  • Cross-modal embeddings like CLIP, BLIP have shown promise in aligning representations across modalities but may underperform on modality-specific tasks.
  • Single-modality embeddings excel within their domains but lack cross-modal alignment capabilities.
  • RP-KrossFuse is proposed as a method to unify cross-modality and single-modality embeddings by integrating them using a random projection-based Kronecker product.
  • RP-KrossFuse aims to achieve competitive modality-specific performance while preserving cross-modal alignment, demonstrated through numerical experiments combining CLIP embeddings with uni-modal image and text embeddings.

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