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Dec 29

Hierarchical Visual Categories Modeling: A Joint Representation Learning and Density Estimation Framework for Out-of-Distribution Detection

Detecting out-of-distribution inputs for visual recognition models has become critical in safe deep learning. This paper proposes a novel hierarchical visual category modeling scheme to separate out-of-distribution data from in-distribution data through joint representation learning and statistical modeling. We learn a mixture of Gaussian models for each in-distribution category. There are many Gaussian mixture models to model different visual categories. With these Gaussian models, we design an in-distribution score function by aggregating multiple Mahalanobis-based metrics. We don't use any auxiliary outlier data as training samples, which may hurt the generalization ability of out-of-distribution detection algorithms. We split the ImageNet-1k dataset into ten folds randomly. We use one fold as the in-distribution dataset and the others as out-of-distribution datasets to evaluate the proposed method. We also conduct experiments on seven popular benchmarks, including CIFAR, iNaturalist, SUN, Places, Textures, ImageNet-O, and OpenImage-O. Extensive experiments indicate that the proposed method outperforms state-of-the-art algorithms clearly. Meanwhile, we find that our visual representation has a competitive performance when compared with features learned by classical methods. These results demonstrate that the proposed method hasn't weakened the discriminative ability of visual recognition models and keeps high efficiency in detecting out-of-distribution samples.

  • 7 authors
·
Aug 28, 2024

Model scale versus domain knowledge in statistical forecasting of chaotic systems

Chaos and unpredictability are traditionally synonymous, yet large-scale machine learning methods recently have demonstrated a surprising ability to forecast chaotic systems well beyond typical predictability horizons. However, recent works disagree on whether specialized methods grounded in dynamical systems theory, such as reservoir computers or neural ordinary differential equations, outperform general-purpose large-scale learning methods such as transformers or recurrent neural networks. These prior studies perform comparisons on few individually-chosen chaotic systems, thereby precluding robust quantification of how statistical modeling choices and dynamical invariants of different chaotic systems jointly determine empirical predictability. Here, we perform the largest to-date comparative study of forecasting methods on the classical problem of forecasting chaos: we benchmark 24 state-of-the-art forecasting methods on a crowdsourced database of 135 low-dimensional systems with 17 forecast metrics. We find that large-scale, domain-agnostic forecasting methods consistently produce predictions that remain accurate up to two dozen Lyapunov times, thereby accessing a new long-horizon forecasting regime well beyond classical methods. We find that, in this regime, accuracy decorrelates with classical invariant measures of predictability like the Lyapunov exponent. However, in data-limited settings outside the long-horizon regime, we find that physics-based hybrid methods retain a comparative advantage due to their strong inductive biases.

  • 1 authors
·
Mar 12, 2023

Skill-Mix: a Flexible and Expandable Family of Evaluations for AI models

With LLMs shifting their role from statistical modeling of language to serving as general-purpose AI agents, how should LLM evaluations change? Arguably, a key ability of an AI agent is to flexibly combine, as needed, the basic skills it has learned. The capability to combine skills plays an important role in (human) pedagogy and also in a paper on emergence phenomena (Arora & Goyal, 2023). This work introduces Skill-Mix, a new evaluation to measure ability to combine skills. Using a list of N skills the evaluator repeatedly picks random subsets of k skills and asks the LLM to produce text combining that subset of skills. Since the number of subsets grows like N^k, for even modest k this evaluation will, with high probability, require the LLM to produce text significantly different from any text in the training set. The paper develops a methodology for (a) designing and administering such an evaluation, and (b) automatic grading (plus spot-checking by humans) of the results using GPT-4 as well as the open LLaMA-2 70B model. Administering a version of to popular chatbots gave results that, while generally in line with prior expectations, contained surprises. Sizeable differences exist among model capabilities that are not captured by their ranking on popular LLM leaderboards ("cramming for the leaderboard"). Furthermore, simple probability calculations indicate that GPT-4's reasonable performance on k=5 is suggestive of going beyond "stochastic parrot" behavior (Bender et al., 2021), i.e., it combines skills in ways that it had not seen during training. We sketch how the methodology can lead to a Skill-Mix based eco-system of open evaluations for AI capabilities of future models.

  • 6 authors
·
Oct 26, 2023

It Takes a Good Model to Train a Good Model: Generalized Gaussian Priors for Optimized LLMs

Despite rapid advancements in the research and deployment of large language models (LLMs), the statistical distribution of model parameters, as well as their influence on initialization, training dynamics, and downstream efficiency, has received surprisingly little attention. A recent work introduced BackSlash, a training-time compression algorithm. It first demonstrated that pre-trained LLM parameters follow generalized Gaussian distributions (GGDs) better. By optimizing GG priors during training, BackSlash can reduce parameters by up to 90\% with minimal performance loss. Building on this foundational insight, we propose a unified, end-to-end framework for LLM optimization based on the GG model. Our contributions are threefold: (1) GG-based initialization scheme that aligns with the statistical structure of trained models, resulting in faster convergence and improved accuracy; (2) DeepShape, a post-training regularization method that reshapes weight distributions to match a GG profile, improving compressibility with minimized degradation in performance; and (3) RF8, a compact and hardware-efficient 8-bit floating-point format designed for GG-distributed-initialized BackSlash training, enabling low-cost inference without compromising accuracy. Experiments across diverse model architectures show that our framework consistently yields smaller and faster models that match or outperform standard training baselines. By grounding LLM development in principled statistical modeling, this work forges a new path toward efficient, scalable, and hardware-aware AI systems. The code is available on our project page: https://huggingface.co/spaces/shifeng3711/gg_prior.

  • 4 authors
·
May 31

Evaluation of OpenAI o1: Opportunities and Challenges of AGI

This comprehensive study evaluates the performance of OpenAI's o1-preview large language model across a diverse array of complex reasoning tasks, spanning multiple domains, including computer science, mathematics, natural sciences, medicine, linguistics, and social sciences. Through rigorous testing, o1-preview demonstrated remarkable capabilities, often achieving human-level or superior performance in areas ranging from coding challenges to scientific reasoning and from language processing to creative problem-solving. Key findings include: -83.3% success rate in solving complex competitive programming problems, surpassing many human experts. -Superior ability in generating coherent and accurate radiology reports, outperforming other evaluated models. -100% accuracy in high school-level mathematical reasoning tasks, providing detailed step-by-step solutions. -Advanced natural language inference capabilities across general and specialized domains like medicine. -Impressive performance in chip design tasks, outperforming specialized models in areas such as EDA script generation and bug analysis. -Remarkable proficiency in anthropology and geology, demonstrating deep understanding and reasoning in these specialized fields. -Strong capabilities in quantitative investing. O1 has comprehensive financial knowledge and statistical modeling skills. -Effective performance in social media analysis, including sentiment analysis and emotion recognition. The model excelled particularly in tasks requiring intricate reasoning and knowledge integration across various fields. While some limitations were observed, including occasional errors on simpler problems and challenges with certain highly specialized concepts, the overall results indicate significant progress towards artificial general intelligence.

  • 78 authors
·
Sep 27, 2024

Deep Knowledge Tracing with Learning Curves

Knowledge tracing (KT) has recently been an active research area of computational pedagogy. The task is to model students' mastery level of knowledge concepts based on their responses to the questions in the past, as well as predict the probabilities that they correctly answer subsequent questions in the future. KT tasks were historically solved using statistical modeling methods such as Bayesian inference and factor analysis, but recent advances in deep learning have led to the successive proposals that leverage deep neural networks, including long short-term memory networks, memory-augmented networks and self-attention networks. While those deep models demonstrate superior performance over the traditional approaches, they all neglect the explicit modeling of the learning curve theory, which generally says that more practice on the same knowledge concept enhances one's mastery level of the concept. Based on this theory, we propose a Convolution-Augmented Knowledge Tracing (CAKT) model in this paper. The model employs three-dimensional convolutional neural networks to explicitly learn a student's recent experience on applying the same knowledge concept with that in the next question, and fuses the learnt feature with the feature representing her overall latent knowledge state obtained using a classic LSTM network. The fused feature is then fed into a second LSTM network to predict the student's response to the next question. Experimental results show that CAKT achieves the new state-of-the-art performance in predicting students' responses compared with existing models. We also conduct extensive sensitivity analysis and ablation study to show the stability of the results and justify the particular architecture of CAKT, respectively.

  • 3 authors
·
Jul 26, 2020

Tracing cosmic voids with fast simulations

Context. Cosmic voids are vast underdense regions in the cosmic web that encode crucial information about structure formation, the composition of the Universe, and its expansion history. Due to their lower density, these regions are less affected by non-linear gravitational dynamics, making them suitable candidates for analysis using semi-analytic methods. Aims. We assess the accuracy of the PINOCCHIO code, a fast tool for generating dark matter halo catalogs based on Lagrangian Perturbation Theory, in modeling the statistical properties of cosmic voids. We validate this approach by comparing the resulting void statistics measured from PINOCCHIO to those obtained from N-body simulations. Methods. We generate a set of simulations using PINOCCHIO and OpenGADGET3, assuming a fiducial cosmology and varying the resolution. For a given resolution, the simulations share the same initial conditions between the different simulation codes. Snapshots are saved at multiple redshifts for each simulation and post-processed using the watershed void finder VIDE to identify cosmic voids. For each simulation code, we measure the following statistics: void size function, void ellipticity function, core density function, and the void radial density profile. We use these statistics to quantify the accuracy of PINOCCHIO relative to OpenGADGET3 in the context of cosmic voids. Results. We find agreement for all void statistics at better than 2{\sigma} between PINOCCHIO and OpenGADGET3, with no systematic difference in redshift trends. This demonstrates that the PINOCCHIO code can reliably produce void statistics with high computational efficiency compared to full N-body simulations.

  • 6 authors
·
Jun 24

Automatic answering of scientific questions using the FACTS-V1 framework: New methods in research to increase efficiency through the use of AI

The use of artificial intelligence (AI) offers various possibilities to expand and support educational research. Specifically, the implementation of AI can be used to develop new frameworks to establish new research tools that accelerate and meaningfully expand the efficiency of data evaluation and interpretation (Buckingham Shum et al., 2023). This article presents the prototype of the FACTS-V1 (Filtering and Analysis of Content in Textual Sources) framework. With the help of the application, numerous scientific papers can be automatically extracted, analyzed and interpreted from open access document servers without having to rely on proprietary applications and their limitations. The FACTS-V1 prototype consists of three building blocks. The first part deals with the extraction of texts, the second with filtering and interpretation, and the last with the actual statistical evaluation (topic modeling) using an interactive overview. The aim of the framework is to provide recommendations for future scientific questions based on existing data. The functionality is illustrated by asking how the use of AI will change the education sector. The data used to answer the question comes from 82 scientific papers on the topic of AI from 2024. The papers are publicly available on the peDOCS document server of the Leibniz Institute for Educational Research and Educational Information.

  • 1 authors
·
Dec 1, 2024

Modeling Eye Gaze Velocity Trajectories using GANs with Spectral Loss for Enhanced Fidelity

Accurate modeling of eye gaze dynamics is essential for advancement in human-computer interaction, neurological diagnostics, and cognitive research. Traditional generative models like Markov models often fail to capture the complex temporal dependencies and distributional nuance inherent in eye gaze trajectories data. This study introduces a GAN framework employing LSTM and CNN generators and discriminators to generate high-fidelity synthetic eye gaze velocity trajectories. We conducted a comprehensive evaluation of four GAN architectures: CNN-CNN, LSTM-CNN, CNN-LSTM, and LSTM-LSTM trained under two conditions: using only adversarial loss and using a weighted combination of adversarial and spectral losses. Our findings reveal that the LSTM-CNN architecture trained with this new loss function exhibits the closest alignment to the real data distribution, effectively capturing both the distribution tails and the intricate temporal dependencies. The inclusion of spectral regularization significantly enhances the GANs ability to replicate the spectral characteristics of eye gaze movements, leading to a more stable learning process and improved data fidelity. Comparative analysis with an HMM optimized to four hidden states further highlights the advantages of the LSTM-CNN GAN. Statistical metrics show that the HMM-generated data significantly diverges from the real data in terms of mean, standard deviation, skewness, and kurtosis. In contrast, the LSTM-CNN model closely matches the real data across these statistics, affirming its capacity to model the complexity of eye gaze dynamics effectively. These results position the spectrally regularized LSTM-CNN GAN as a robust tool for generating synthetic eye gaze velocity data with high fidelity.

  • 6 authors
·
Dec 5, 2024

Deep Generative Modeling with Spatial and Network Images: An Explainable AI (XAI) Approach

This article addresses the challenge of modeling the amplitude of spatially indexed low frequency fluctuations (ALFF) in resting state functional MRI as a function of cortical structural features and a multi-task coactivation network in the Adolescent Brain Cognitive Development (ABCD) Study. It proposes a generative model that integrates effects of spatially-varying inputs and a network-valued input using deep neural networks to capture complex non-linear and spatial associations with the output. The method models spatial smoothness, accounts for subject heterogeneity and complex associations between network and spatial images at different scales, enables accurate inference of each images effect on the output image, and allows prediction with uncertainty quantification via Monte Carlo dropout, contributing to one of the first Explainable AI (XAI) frameworks for heterogeneous imaging data. The model is highly scalable to high-resolution data without the heavy pre-processing or summarization often required by Bayesian methods. Empirical results demonstrate its strong performance compared to existing statistical and deep learning methods. We applied the XAI model to the ABCD data which revealed associations between cortical features and ALFF throughout the entire brain. Our model performed comparably to existing methods in predictive accuracy but provided superior uncertainty quantification and faster computation, demonstrating its effectiveness for large-scale neuroimaging analysis. Open-source software in Python for XAI is available.

  • 3 authors
·
May 19

Statistical Rejection Sampling Improves Preference Optimization

Improving the alignment of language models with human preferences remains an active research challenge. Previous approaches have primarily utilized Reinforcement Learning from Human Feedback (RLHF) via online RL methods such as Proximal Policy Optimization (PPO). Recently, offline methods such as Sequence Likelihood Calibration (SLiC) and Direct Preference Optimization (DPO) have emerged as attractive alternatives, offering improvements in stability and scalability while maintaining competitive performance. SLiC refines its loss function using sequence pairs sampled from a supervised fine-tuned (SFT) policy, while DPO directly optimizes language models based on preference data, foregoing the need for a separate reward model. However, the maximum likelihood estimator (MLE) of the target optimal policy requires labeled preference pairs sampled from that policy. DPO's lack of a reward model constrains its ability to sample preference pairs from the optimal policy, and SLiC is restricted to sampling preference pairs only from the SFT policy. To address these limitations, we introduce a novel approach called Statistical Rejection Sampling Optimization (RSO) that aims to source preference data from the target optimal policy using rejection sampling, enabling a more accurate estimation of the optimal policy. We also propose a unified framework that enhances the loss functions used in both SLiC and DPO from a preference modeling standpoint. Through extensive experiments across three diverse tasks, we demonstrate that RSO consistently outperforms both SLiC and DPO on evaluations from both Large Language Model (LLM) and human raters.

  • 7 authors
·
Sep 12, 2023

Workflow is All You Need: Escaping the "Statistical Smoothing Trap" via High-Entropy Information Foraging and Adversarial Pacing

Central to long-form text generation in vertical domains is the "impossible trinity" confronting current large language models (LLMs): the simultaneous achievement of low hallucination, deep logical coherence, and personalized expression. This study establishes that this bottleneck arises from existing generative paradigms succumbing to the Statistical Smoothing Trap, a phenomenon that overlooks the high-entropy information acquisition and structured cognitive processes integral to expert-level writing. To address this limitation, we propose the DeepNews Framework, an agentic workflow that explicitly models the implicit cognitive processes of seasoned financial journalists. The framework integrates three core modules: first, a dual-granularity retrieval mechanism grounded in information foraging theory, which enforces a 10:1 saturated information input ratio to mitigate hallucinatory outputs; second, schema-guided strategic planning, a process leveraging domain expert knowledge bases (narrative schemas) and Atomic Blocks to forge a robust logical skeleton; third, adversarial constraint prompting, a technique deploying tactics including Rhythm Break and Logic Fog to disrupt the probabilistic smoothness inherent in model-generated text. Experiments delineate a salient Knowledge Cliff in deep financial reporting: content truthfulness collapses when retrieved context falls below 15,000 characters, while a high-redundancy input exceeding 30,000 characters stabilizes the Hallucination-Free Rate (HFR) above 85%. In an ecological validity blind test conducted with a top-tier Chinese technology media outlet, the DeepNews system--built on a previous-generation model (DeepSeek-V3-0324)-achieved a 25% submission acceptance rate, significantly outperforming the 0% acceptance rate of zero-shot generation by a state-of-the-art (SOTA) model (GPT-5).

  • 1 authors
·
Dec 10

SurMo: Surface-based 4D Motion Modeling for Dynamic Human Rendering

Dynamic human rendering from video sequences has achieved remarkable progress by formulating the rendering as a mapping from static poses to human images. However, existing methods focus on the human appearance reconstruction of every single frame while the temporal motion relations are not fully explored. In this paper, we propose a new 4D motion modeling paradigm, SurMo, that jointly models the temporal dynamics and human appearances in a unified framework with three key designs: 1) Surface-based motion encoding that models 4D human motions with an efficient compact surface-based triplane. It encodes both spatial and temporal motion relations on the dense surface manifold of a statistical body template, which inherits body topology priors for generalizable novel view synthesis with sparse training observations. 2) Physical motion decoding that is designed to encourage physical motion learning by decoding the motion triplane features at timestep t to predict both spatial derivatives and temporal derivatives at the next timestep t+1 in the training stage. 3) 4D appearance decoding that renders the motion triplanes into images by an efficient volumetric surface-conditioned renderer that focuses on the rendering of body surfaces with motion learning conditioning. Extensive experiments validate the state-of-the-art performance of our new paradigm and illustrate the expressiveness of surface-based motion triplanes for rendering high-fidelity view-consistent humans with fast motions and even motion-dependent shadows. Our project page is at: https://taohuumd.github.io/projects/SurMo/

  • 3 authors
·
Apr 1, 2024

Statistical Depth for Ranking and Characterizing Transformer-Based Text Embeddings

The popularity of transformer-based text embeddings calls for better statistical tools for measuring distributions of such embeddings. One such tool would be a method for ranking texts within a corpus by centrality, i.e. assigning each text a number signifying how representative that text is of the corpus as a whole. However, an intrinsic center-outward ordering of high-dimensional text representations is not trivial. A statistical depth is a function for ranking k-dimensional objects by measuring centrality with respect to some observed k-dimensional distribution. We adopt a statistical depth to measure distributions of transformer-based text embeddings, transformer-based text embedding (TTE) depth, and introduce the practical use of this depth for both modeling and distributional inference in NLP pipelines. We first define TTE depth and an associated rank sum test for determining whether two corpora differ significantly in embedding space. We then use TTE depth for the task of in-context learning prompt selection, showing that this approach reliably improves performance over statistical baseline approaches across six text classification tasks. Finally, we use TTE depth and the associated rank sum test to characterize the distributions of synthesized and human-generated corpora, showing that five recent synthetic data augmentation processes cause a measurable distributional shift away from associated human-generated text.

  • 2 authors
·
Oct 23, 2023

Physics-based Noise Modeling for Extreme Low-light Photography

Enhancing the visibility in extreme low-light environments is a challenging task. Under nearly lightless condition, existing image denoising methods could easily break down due to significantly low SNR. In this paper, we systematically study the noise statistics in the imaging pipeline of CMOS photosensors, and formulate a comprehensive noise model that can accurately characterize the real noise structures. Our novel model considers the noise sources caused by digital camera electronics which are largely overlooked by existing methods yet have significant influence on raw measurement in the dark. It provides a way to decouple the intricate noise structure into different statistical distributions with physical interpretations. Moreover, our noise model can be used to synthesize realistic training data for learning-based low-light denoising algorithms. In this regard, although promising results have been shown recently with deep convolutional neural networks, the success heavily depends on abundant noisy clean image pairs for training, which are tremendously difficult to obtain in practice. Generalizing their trained models to images from new devices is also problematic. Extensive experiments on multiple low-light denoising datasets -- including a newly collected one in this work covering various devices -- show that a deep neural network trained with our proposed noise formation model can reach surprisingly-high accuracy. The results are on par with or sometimes even outperform training with paired real data, opening a new door to real-world extreme low-light photography.

  • 4 authors
·
Aug 4, 2021

Phemenological Modeling of Eclipsing Binary Stars

We review the method NAV (New Algol Variable) first introduced in 2012Ap.....55..536A, which uses the locally-dependent shapes of eclipses in an addition to the trigonometric polynomial of the second order (which typically describes the "out-of-eclipse" part of the light curve with effects of reflection, ellipticity and O'Connell). Eclipsing binary stars are believed to show distinct eclipses only if belonging to the EA type. With a decreasing eclipse width, the statistically optimal value of the trigonometric polynomial s (2003ASPC..292..391A) drastically increases from ~2 for elliptic (EL) variables without eclipses, ~6-8 for EW and up to ~30-50 for some EA with narrow eclipses. In this case of large number of parameters, the smoothing curve becomes very noisy and apparent waves (the Gibbs phenomenon) may be seen. The NAV set of the parameters may be used for classification in the GCVS, VSX and similar catalogs. The maximal number of parameters is m=12, which corresponds to s=5, if correcting both the period and the initial epoch. We have applied the method to few stars, also in a case of multi-color photometry (2015JASS...32..127A), when it is possible to use the phenomenological parameters from the NAV fit to estimate physical parameters using statistical dependencies. We conclude that the NAV approximation is better than the TP one even for the case of EW-type stars with much wider eclipses. It may also be used to determine timings (see 2005ASPC..335...37A for a review of methods) or to determine parameters in the case of variable period, using a complete light curve modeling the phase variations. The method is illustrated on 2MASS J11080447-6143290 (EA-type), USNO-B1.0 1265-0306001 and USNO-B1.0 1266-0313413 (EW-type) and compared to various other methods from the literature.

  • 3 authors
·
Feb 12, 2016

A Markov Categorical Framework for Language Modeling

Auto-regressive language models factorize sequence probabilities and are trained by minimizing the negative log-likelihood (NLL) objective. While empirically powerful, a deep theoretical understanding of why this simple objective yields such versatile representations remains elusive. This work introduces a unifying analytical framework using Markov Categories (MCs) to deconstruct the AR generation process and the NLL objective. We model the single-step generation map as a composition of Markov kernels in the category Stoch. This compositional view, when enriched with statistical divergences, allows us to dissect information flow and learned geometry. Our framework makes three main contributions. First, we provide a formal, information-theoretic rationale for the success of modern speculative decoding methods like EAGLE, quantifying the information surplus in hidden states that these methods exploit. Second, we formalize how NLL minimization forces the model to learn not just the next token, but the data's intrinsic conditional stochasticity, a process we analyze using categorical entropy. Third, and most centrally, we prove that NLL training acts as an implicit form of spectral contrastive learning. By analyzing the information geometry of the model's prediction head, we show that NLL implicitly forces the learned representation space to align with the eigenspectrum of a predictive similarity operator, thereby learning a geometrically structured space without explicit contrastive pairs. This compositional and information-geometric perspective reveals the deep structural principles underlying the effectiveness of modern LMs. Project Page: https://github.com/asiresearch/lm-theory

  • 1 authors
·
Jul 25

ARD-VAE: A Statistical Formulation to Find the Relevant Latent Dimensions of Variational Autoencoders

The variational autoencoder (VAE) is a popular, deep, latent-variable model (DLVM) due to its simple yet effective formulation for modeling the data distribution. Moreover, optimizing the VAE objective function is more manageable than other DLVMs. The bottleneck dimension of the VAE is a crucial design choice, and it has strong ramifications for the model's performance, such as finding the hidden explanatory factors of a dataset using the representations learned by the VAE. However, the size of the latent dimension of the VAE is often treated as a hyperparameter estimated empirically through trial and error. To this end, we propose a statistical formulation to discover the relevant latent factors required for modeling a dataset. In this work, we use a hierarchical prior in the latent space that estimates the variance of the latent axes using the encoded data, which identifies the relevant latent dimensions. For this, we replace the fixed prior in the VAE objective function with a hierarchical prior, keeping the remainder of the formulation unchanged. We call the proposed method the automatic relevancy detection in the variational autoencoder (ARD-VAE). We demonstrate the efficacy of the ARD-VAE on multiple benchmark datasets in finding the relevant latent dimensions and their effect on different evaluation metrics, such as FID score and disentanglement analysis.

  • 3 authors
·
Jan 18

An Overview of Diffusion Models: Applications, Guided Generation, Statistical Rates and Optimization

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible high-dimensional data modeling, and act as a sampler for generating new samples under active guidance towards task-desired properties. Despite the significant empirical success, theory of diffusion models is very limited, potentially slowing down principled methodological innovations for further harnessing and improving diffusion models. In this paper, we review emerging applications of diffusion models, understanding their sample generation under various controls. Next, we overview the existing theories of diffusion models, covering their statistical properties and sampling capabilities. We adopt a progressive routine, beginning with unconditional diffusion models and connecting to conditional counterparts. Further, we review a new avenue in high-dimensional structured optimization through conditional diffusion models, where searching for solutions is reformulated as a conditional sampling problem and solved by diffusion models. Lastly, we discuss future directions about diffusion models. The purpose of this paper is to provide a well-rounded theoretical exposure for stimulating forward-looking theories and methods of diffusion models.

  • 4 authors
·
Apr 11, 2024

SC2EGSet: StarCraft II Esport Replay and Game-state Dataset

As a relatively new form of sport, esports offers unparalleled data availability. Despite the vast amounts of data that are generated by game engines, it can be challenging to extract them and verify their integrity for the purposes of practical and scientific use. Our work aims to open esports to a broader scientific community by supplying raw and pre-processed files from StarCraft II esports tournaments. These files can be used in statistical and machine learning modeling tasks and related to various laboratory-based measurements (e.g., behavioral tests, brain imaging). We have gathered publicly available game-engine generated "replays" of tournament matches and performed data extraction and cleanup using a low-level application programming interface (API) parser library. Additionally, we open-sourced and published all the custom tools that were developed in the process of creating our dataset. These tools include PyTorch and PyTorch Lightning API abstractions to load and model the data. Our dataset contains replays from major and premiere StarCraft II tournaments since 2016. To prepare the dataset, we processed 55 tournament "replaypacks" that contained 17930 files with game-state information. Based on initial investigation of available StarCraft II datasets, we observed that our dataset is the largest publicly available source of StarCraft II esports data upon its publication. Analysis of the extracted data holds promise for further Artificial Intelligence (AI), Machine Learning (ML), psychological, Human-Computer Interaction (HCI), and sports-related studies in a variety of supervised and self-supervised tasks.

  • 8 authors
·
Jul 7, 2022

Large Language Models for Data Synthesis

Generating synthetic data that faithfully captures the statistical structure of real-world distributions is a fundamental challenge in data modeling. Classical approaches often depend on strong parametric assumptions or manual structural design and struggle in high-dimensional or heterogeneous domains. Recent progress in Large Language Models (LLMs) reveals their potential as flexible, high-dimensional priors over real-world distributions. However, when applied to data synthesis, standard LLM-based sampling is inefficient, constrained by fixed context limits, and fails to ensure statistical alignment. Given this, we introduce LLMSynthor, a general framework for data synthesis that transforms LLMs into structure-aware simulators guided by distributional feedback. LLMSynthor treats the LLM as a nonparametric copula simulator for modeling high-order dependencies and introduces LLM Proposal Sampling to generate grounded proposal distributions that improve sampling efficiency without requiring rejection. By minimizing discrepancies in the summary statistics space, the iterative synthesis loop aligns real and synthetic data while gradually uncovering and refining the latent generative structure. We evaluate LLMSynthor in both controlled and real-world settings using heterogeneous datasets in privacy-sensitive domains (e.g., e-commerce, population, and mobility) that encompass both structured and unstructured formats. The synthetic data produced by LLMSynthor shows high statistical fidelity, practical utility, and cross-data adaptability, positioning it as a valuable tool across economics, social science, urban studies, and beyond.

  • 3 authors
·
May 20 2

AR-Net: A simple Auto-Regressive Neural Network for time-series

In this paper we present a new framework for time-series modeling that combines the best of traditional statistical models and neural networks. We focus on time-series with long-range dependencies, needed for monitoring fine granularity data (e.g. minutes, seconds, milliseconds), prevalent in operational use-cases. Traditional models, such as auto-regression fitted with least squares (Classic-AR) can model time-series with a concise and interpretable model. When dealing with long-range dependencies, Classic-AR models can become intractably slow to fit for large data. Recently, sequence-to-sequence models, such as Recurrent Neural Networks, which were originally intended for natural language processing, have become popular for time-series. However, they can be overly complex for typical time-series data and lack interpretability. A scalable and interpretable model is needed to bridge the statistical and deep learning-based approaches. As a first step towards this goal, we propose modelling AR-process dynamics using a feed-forward neural network approach, termed AR-Net. We show that AR-Net is as interpretable as Classic-AR but also scales to long-range dependencies. Our results lead to three major conclusions: First, AR-Net learns identical AR-coefficients as Classic-AR, thus being equally interpretable. Second, the computational complexity with respect to the order of the AR process, is linear for AR-Net as compared to a quadratic for Classic-AR. This makes it possible to model long-range dependencies within fine granularity data. Third, by introducing regularization, AR-Net automatically selects and learns sparse AR-coefficients. This eliminates the need to know the exact order of the AR-process and allows to learn sparse weights for a model with long-range dependencies.

  • 3 authors
·
Nov 27, 2019

How Well Do LLMs Imitate Human Writing Style?

Large language models (LLMs) can generate fluent text, but their ability to replicate the distinctive style of a specific human author remains unclear. We present a fast, training-free framework for authorship verification and style imitation analysis. The method integrates TF-IDF character n-grams with transformer embeddings and classifies text pairs through empirical distance distributions, eliminating the need for supervised training or threshold tuning. It achieves 97.5\% accuracy on academic essays and 94.5\% in cross-domain evaluation, while reducing training time by 91.8\% and memory usage by 59\% relative to parameter-based baselines. Using this framework, we evaluate five LLMs from three separate families (Llama, Qwen, Mixtral) across four prompting strategies - zero-shot, one-shot, few-shot, and text completion. Results show that the prompting strategy has a more substantial influence on style fidelity than model size: few-shot prompting yields up to 23.5x higher style-matching accuracy than zero-shot, and completion prompting reaches 99.9\% agreement with the original author's style. Crucially, high-fidelity imitation does not imply human-like unpredictability - human essays average a perplexity of 29.5, whereas matched LLM outputs average only 15.2. These findings demonstrate that stylistic fidelity and statistical detectability are separable, establishing a reproducible basis for future work in authorship modeling, detection, and identity-conditioned generation.

  • 2 authors
·
Sep 29

A Survey of Large Language Models

Language is essentially a complex, intricate system of human expressions governed by grammatical rules. It poses a significant challenge to develop capable AI algorithms for comprehending and grasping a language. As a major approach, language modeling has been widely studied for language understanding and generation in the past two decades, evolving from statistical language models to neural language models. Recently, pre-trained language models (PLMs) have been proposed by pre-training Transformer models over large-scale corpora, showing strong capabilities in solving various NLP tasks. Since researchers have found that model scaling can lead to performance improvement, they further study the scaling effect by increasing the model size to an even larger size. Interestingly, when the parameter scale exceeds a certain level, these enlarged language models not only achieve a significant performance improvement but also show some special abilities that are not present in small-scale language models. To discriminate the difference in parameter scale, the research community has coined the term large language models (LLM) for the PLMs of significant size. Recently, the research on LLMs has been largely advanced by both academia and industry, and a remarkable progress is the launch of ChatGPT, which has attracted widespread attention from society. The technical evolution of LLMs has been making an important impact on the entire AI community, which would revolutionize the way how we develop and use AI algorithms. In this survey, we review the recent advances of LLMs by introducing the background, key findings, and mainstream techniques. In particular, we focus on four major aspects of LLMs, namely pre-training, adaptation tuning, utilization, and capacity evaluation. Besides, we also summarize the available resources for developing LLMs and discuss the remaining issues for future directions.

  • 22 authors
·
Mar 31, 2023

Machine Learning and Deep Learning -- A review for Ecologists

1. The popularity of Machine learning (ML), Deep learning (DL), and Artificial intelligence (AI) has risen sharply in recent years. Despite this spike in popularity, the inner workings of ML and DL algorithms are often perceived as opaque, and their relationship to classical data analysis tools remains debated. 2. Although it is often assumed that ML and DL excel primarily at making predictions, ML and DL can also be used for analytical tasks traditionally addressed with statistical models. Moreover, most recent discussions and reviews on ML focus mainly on DL, missing out on synthesizing the wealth of ML algorithms with different advantages and general principles. 3. Here, we provide a comprehensive overview of the field of ML and DL, starting by summarizing its historical developments, existing algorithm families, differences to traditional statistical tools, and universal ML principles. We then discuss why and when ML and DL models excel at prediction tasks and where they could offer alternatives to traditional statistical methods for inference, highlighting current and emerging applications for ecological problems. Finally, we summarize emerging trends such as scientific and causal ML, explainable AI, and responsible AI that may significantly impact ecological data analysis in the future. 4. We conclude that ML and DL are powerful new tools for predictive modeling and data analysis. The superior performance of ML and DL algorithms compared to statistical models can be explained by their higher flexibility and automatic data-dependent complexity optimization. However, their use for causal inference is still disputed as the focus of ML and DL methods on predictions creates challenges for the interpretation of these models. Nevertheless, we expect ML and DL to become an indispensable tool in E&E, comparable to other traditional statistical tools.

  • 2 authors
·
Apr 11, 2022

Adversarial Adaptive Sampling: Unify PINN and Optimal Transport for the Approximation of PDEs

Solving partial differential equations (PDEs) is a central task in scientific computing. Recently, neural network approximation of PDEs has received increasing attention due to its flexible meshless discretization and its potential for high-dimensional problems. One fundamental numerical difficulty is that random samples in the training set introduce statistical errors into the discretization of loss functional which may become the dominant error in the final approximation, and therefore overshadow the modeling capability of the neural network. In this work, we propose a new minmax formulation to optimize simultaneously the approximate solution, given by a neural network model, and the random samples in the training set, provided by a deep generative model. The key idea is to use a deep generative model to adjust random samples in the training set such that the residual induced by the approximate PDE solution can maintain a smooth profile when it is being minimized. Such an idea is achieved by implicitly embedding the Wasserstein distance between the residual-induced distribution and the uniform distribution into the loss, which is then minimized together with the residual. A nearly uniform residual profile means that its variance is small for any normalized weight function such that the Monte Carlo approximation error of the loss functional is reduced significantly for a certain sample size. The adversarial adaptive sampling (AAS) approach proposed in this work is the first attempt to formulate two essential components, minimizing the residual and seeking the optimal training set, into one minmax objective functional for the neural network approximation of PDEs.

  • 4 authors
·
May 29, 2023

FailureSensorIQ: A Multi-Choice QA Dataset for Understanding Sensor Relationships and Failure Modes

We introduce FailureSensorIQ, a novel Multi-Choice Question-Answering (MCQA) benchmarking system designed to assess the ability of Large Language Models (LLMs) to reason and understand complex, domain-specific scenarios in Industry 4.0. Unlike traditional QA benchmarks, our system focuses on multiple aspects of reasoning through failure modes, sensor data, and the relationships between them across various industrial assets. Through this work, we envision a paradigm shift where modeling decisions are not only data-driven using statistical tools like correlation analysis and significance tests, but also domain-driven by specialized LLMs which can reason about the key contributors and useful patterns that can be captured with feature engineering. We evaluate the Industrial knowledge of over a dozen LLMs-including GPT-4, Llama, and Mistral-on FailureSensorIQ from different lens using Perturbation-Uncertainty-Complexity analysis, Expert Evaluation study, Asset-Specific Knowledge Gap analysis, ReAct agent using external knowledge-bases. Even though closed-source models with strong reasoning capabilities approach expert-level performance, the comprehensive benchmark reveals a significant drop in performance that is fragile to perturbations, distractions, and inherent knowledge gaps in the models. We also provide a real-world case study of how LLMs can drive the modeling decisions on 3 different failure prediction datasets related to various assets. We release: (a) expert-curated MCQA for various industrial assets, (b) FailureSensorIQ benchmark and Hugging Face leaderboard based on MCQA built from non-textual data found in ISO documents, and (c) LLMFeatureSelector, an LLM-based feature selection scikit-learn pipeline. The software is available at https://github.com/IBM/FailureSensorIQ.

Taming Polysemanticity in LLMs: Provable Feature Recovery via Sparse Autoencoders

We study the challenge of achieving theoretically grounded feature recovery using Sparse Autoencoders (SAEs) for the interpretation of Large Language Models. Existing SAE training algorithms often lack rigorous mathematical guarantees and suffer from practical limitations such as hyperparameter sensitivity and instability. To address these issues, we first propose a novel statistical framework for the feature recovery problem, which includes a new notion of feature identifiability by modeling polysemantic features as sparse mixtures of underlying monosemantic concepts. Building on this framework, we introduce a new SAE training algorithm based on ``bias adaptation'', a technique that adaptively adjusts neural network bias parameters to ensure appropriate activation sparsity. We theoretically prove that this algorithm correctly recovers all monosemantic features when input data is sampled from our proposed statistical model. Furthermore, we develop an improved empirical variant, Group Bias Adaptation (GBA), and demonstrate its superior performance against benchmark methods when applied to LLMs with up to 1.5 billion parameters. This work represents a foundational step in demystifying SAE training by providing the first SAE algorithm with theoretical recovery guarantees, thereby advancing the development of more transparent and trustworthy AI systems through enhanced mechanistic interpretability.

  • 5 authors
·
Jun 16 3

The Vendi Score: A Diversity Evaluation Metric for Machine Learning

Diversity is an important criterion for many areas of machine learning (ML), including generative modeling and dataset curation. Yet little work has gone into understanding, formalizing, and measuring diversity in ML. In this paper, we address the diversity evaluation problem by proposing the Vendi Score, which connects and extends ideas from ecology and quantum statistical mechanics to ML. The Vendi Score is defined as the exponential of the Shannon entropy of the eigenvalues of a similarity matrix. This matrix is induced by a user-defined similarity function applied to the sample to be evaluated for diversity. In taking a similarity function as input, the Vendi Score enables its user to specify any desired form of diversity. Importantly, unlike many existing metrics in ML, the Vendi Score doesn't require a reference dataset or distribution over samples or labels, it is therefore general and applicable to any generative model, decoding algorithm, and dataset from any domain where similarity can be defined. We showcased the Vendi Score on molecular generative modeling, a domain where diversity plays an important role in enabling the discovery of novel molecules. We found that the Vendi Score addresses shortcomings of the current diversity metric of choice in that domain. We also applied the Vendi Score to generative models of images and decoding algorithms of text and found it confirms known results about diversity in those domains. Furthermore, we used the Vendi Score to measure mode collapse, a known limitation of generative adversarial networks (GANs). In particular, the Vendi Score revealed that even GANs that capture all the modes of a labeled dataset can be less diverse than the original dataset. Finally, the interpretability of the Vendi Score allowed us to diagnose several benchmark ML datasets for diversity, opening the door for diversity-informed data augmentation.

  • 2 authors
·
Oct 5, 2022

Pay Attention to Evolution: Time Series Forecasting with Deep Graph-Evolution Learning

Time-series forecasting is one of the most active research topics in artificial intelligence. Applications in real-world time series should consider two factors for achieving reliable predictions: modeling dynamic dependencies among multiple variables and adjusting the model's intrinsic hyperparameters. A still open gap in that literature is that statistical and ensemble learning approaches systematically present lower predictive performance than deep learning methods. They generally disregard the data sequence aspect entangled with multivariate data represented in more than one time series. Conversely, this work presents a novel neural network architecture for time-series forecasting that combines the power of graph evolution with deep recurrent learning on distinct data distributions; we named our method Recurrent Graph Evolution Neural Network (ReGENN). The idea is to infer multiple multivariate relationships between co-occurring time-series by assuming that the temporal data depends not only on inner variables and intra-temporal relationships (i.e., observations from itself) but also on outer variables and inter-temporal relationships (i.e., observations from other-selves). An extensive set of experiments was conducted comparing ReGENN with dozens of ensemble methods and classical statistical ones, showing sound improvement of up to 64.87% over the competing algorithms. Furthermore, we present an analysis of the intermediate weights arising from ReGENN, showing that by looking at inter and intra-temporal relationships simultaneously, time-series forecasting is majorly improved if paying attention to how multiple multivariate data synchronously evolve.

  • 6 authors
·
Aug 28, 2020

From time-series to complex networks: Application to the cerebrovascular flow patterns in atrial fibrillation

A network-based approach is presented to investigate the cerebrovascular flow patterns during atrial fibrillation (AF) with respect to normal sinus rhythm (NSR). AF, the most common cardiac arrhythmia with faster and irregular beating, has been recently and independently associated with the increased risk of dementia. However, the underlying hemodynamic mechanisms relating the two pathologies remain mainly undetermined so far; thus the contribution of modeling and refined statistical tools is valuable. Pressure and flow rate temporal series in NSR and AF are here evaluated along representative cerebral sites (from carotid arteries to capillary brain circulation), exploiting reliable artificially built signals recently obtained from an in silico approach. The complex network analysis evidences, in a synthetic and original way, a dramatic signal variation towards the distal/capillary cerebral regions during AF, which has no counterpart in NSR conditions. At the large artery level, networks obtained from both AF and NSR hemodynamic signals exhibit elongated and chained features, which are typical of pseudo-periodic series. These aspects are almost completely lost towards the microcirculation during AF, where the networks are topologically more circular and present random-like characteristics. As a consequence, all the physiological phenomena at microcerebral level ruled by periodicity - such as regular perfusion, mean pressure per beat, and average nutrient supply at cellular level - can be strongly compromised, since the AF hemodynamic signals assume irregular behaviour and random-like features. Through a powerful approach which is complementary to the classical statistical tools, the present findings further strengthen the potential link between AF hemodynamic and cognitive decline.

  • 3 authors
·
Sep 26, 2017