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Jan 6

Unconstrained Stochastic CCA: Unifying Multiview and Self-Supervised Learning

The Canonical Correlation Analysis (CCA) family of methods is foundational in multiview learning. Regularised linear CCA methods can be seen to generalise Partial Least Squares (PLS) and be unified with a Generalized Eigenvalue Problem (GEP) framework. However, classical algorithms for these linear methods are computationally infeasible for large-scale data. Extensions to Deep CCA show great promise, but current training procedures are slow and complicated. First we propose a novel unconstrained objective that characterizes the top subspace of GEPs. Our core contribution is a family of fast algorithms for stochastic PLS, stochastic CCA, and Deep CCA, simply obtained by applying stochastic gradient descent (SGD) to the corresponding CCA objectives. Our algorithms show far faster convergence and recover higher correlations than the previous state-of-the-art on all standard CCA and Deep CCA benchmarks. These improvements allow us to perform a first-of-its-kind PLS analysis of an extremely large biomedical dataset from the UK Biobank, with over 33,000 individuals and 500,000 features. Finally, we apply our algorithms to match the performance of `CCA-family' Self-Supervised Learning (SSL) methods on CIFAR-10 and CIFAR-100 with minimal hyper-parameter tuning, and also present theory to clarify the links between these methods and classical CCA, laying the groundwork for future insights.

  • 3 authors
·
Oct 2, 2023

A Multi-View Joint Learning Framework for Embedding Clinical Codes and Text Using Graph Neural Networks

Learning to represent free text is a core task in many clinical machine learning (ML) applications, as clinical text contains observations and plans not otherwise available for inference. State-of-the-art methods use large language models developed with immense computational resources and training data; however, applying these models is challenging because of the highly varying syntax and vocabulary in clinical free text. Structured information such as International Classification of Disease (ICD) codes often succinctly abstracts the most important facts of a clinical encounter and yields good performance, but is often not as available as clinical text in real-world scenarios. We propose a multi-view learning framework that jointly learns from codes and text to combine the availability and forward-looking nature of text and better performance of ICD codes. The learned text embeddings can be used as inputs to predictive algorithms independent of the ICD codes during inference. Our approach uses a Graph Neural Network (GNN) to process ICD codes, and Bi-LSTM to process text. We apply Deep Canonical Correlation Analysis (DCCA) to enforce the two views to learn a similar representation of each patient. In experiments using planned surgical procedure text, our model outperforms BERT models fine-tuned to clinical data, and in experiments using diverse text in MIMIC-III, our model is competitive to a fine-tuned BERT at a tiny fraction of its computational effort.

  • 4 authors
·
Jan 27, 2023

CPTQuant - A Novel Mixed Precision Post-Training Quantization Techniques for Large Language Models

Large language models have transformed the comprehension and generation of natural language tasks, but they come with substantial memory and computational requirements. Quantization techniques have emerged as a promising avenue for addressing these challenges while preserving accuracy and making energy efficient. We propose CPTQuant, a comprehensive strategy that introduces correlation-based (CMPQ), pruning-based (PMPQ), and Taylor decomposition-based (TDMPQ) mixed precision techniques. CMPQ adapts the precision level based on canonical correlation analysis of different layers. PMPQ optimizes precision layer-wise based on their sensitivity to sparsity. TDMPQ modifies precision using Taylor decomposition to assess each layer's sensitivity to input perturbation. These strategies allocate higher precision to more sensitive layers while diminishing precision to robust layers. CPTQuant assesses the performance across BERT, OPT-125M, OPT-350M, OPT-1.3B, and OPT-2.7B. We demonstrate up to 4x compression and a 2x-fold increase in efficiency with minimal accuracy drop compared to Hugging Face FP16. PMPQ stands out for achieving a considerably higher model compression. Sensitivity analyses across various LLMs show that the initial and final 30% of layers exhibit higher sensitivities than the remaining layers. PMPQ demonstrates an 11% higher compression ratio than other methods for classification tasks, while TDMPQ achieves a 30% greater compression ratio for language modeling tasks.

  • 3 authors
·
Dec 2, 2024

Can Brain Signals Reveal Inner Alignment with Human Languages?

Brain Signals, such as Electroencephalography (EEG), and human languages have been widely explored independently for many downstream tasks, however, the connection between them has not been well explored. In this study, we explore the relationship and dependency between EEG and language. To study at the representation level, we introduced MTAM, a Multimodal Transformer Alignment Model, to observe coordinated representations between the two modalities. We used various relationship alignment-seeking techniques, such as Canonical Correlation Analysis and Wasserstein Distance, as loss functions to transfigure features. On downstream applications, sentiment analysis and relation detection, we achieved new state-of-the-art results on two datasets, ZuCo and K-EmoCon. Our method achieved an F1-score improvement of 1.7% on K-EmoCon and 9.3% on Zuco datasets for sentiment analysis, and 7.4% on ZuCo for relation detection. In addition, we provide interpretations of the performance improvement: (1) feature distribution shows the effectiveness of the alignment module for discovering and encoding the relationship between EEG and language; (2) alignment weights show the influence of different language semantics as well as EEG frequency features; (3) brain topographical maps provide an intuitive demonstration of the connectivity in the brain regions. Our code is available at https://github.com/Jason-Qiu/EEG_Language_Alignment.

  • 7 authors
·
Aug 10, 2022

JPEG-LM: LLMs as Image Generators with Canonical Codec Representations

Recent work in image and video generation has been adopting the autoregressive LLM architecture due to its generality and potentially easy integration into multi-modal systems. The crux of applying autoregressive training in language generation to visual generation is discretization -- representing continuous data like images and videos as discrete tokens. Common methods of discretizing images and videos include modeling raw pixel values, which are prohibitively lengthy, or vector quantization, which requires convoluted pre-hoc training. In this work, we propose to directly model images and videos as compressed files saved on computers via canonical codecs (e.g., JPEG, AVC/H.264). Using the default Llama architecture without any vision-specific modifications, we pretrain JPEG-LM from scratch to generate images (and AVC-LM to generate videos as a proof of concept), by directly outputting compressed file bytes in JPEG and AVC formats. Evaluation of image generation shows that this simple and straightforward approach is more effective than pixel-based modeling and sophisticated vector quantization baselines (on which our method yields a 31% reduction in FID). Our analysis shows that JPEG-LM has an especial advantage over vector quantization models in generating long-tail visual elements. Overall, we show that using canonical codec representations can help lower the barriers between language generation and visual generation, facilitating future research on multi-modal language/image/video LLMs.

  • 4 authors
·
Aug 15, 2024 4

GPT-4 Doesn't Know It's Wrong: An Analysis of Iterative Prompting for Reasoning Problems

There has been considerable divergence of opinion on the reasoning abilities of Large Language Models (LLMs). While the initial optimism that reasoning might emerge automatically with scale has been tempered thanks to a slew of counterexamples, a wide spread belief in their iterative self-critique capabilities persists. In this paper, we set out to systematically investigate the effectiveness of iterative prompting of LLMs in the context of Graph Coloring, a canonical NP-complete reasoning problem that is related to propositional satisfiability as well as practical problems like scheduling and allocation. We present a principled empirical study of the performance of GPT4 in solving graph coloring instances or verifying the correctness of candidate colorings. In iterative modes, we experiment with the model critiquing its own answers and an external correct reasoner verifying proposed solutions. In both cases, we analyze whether the content of the criticisms actually affects bottom line performance. The study seems to indicate that (i) LLMs are bad at solving graph coloring instances (ii) they are no better at verifying a solution--and thus are not effective in iterative modes with LLMs critiquing LLM-generated solutions (iii) the correctness and content of the criticisms--whether by LLMs or external solvers--seems largely irrelevant to the performance of iterative prompting. We show that the observed increase in effectiveness is largely due to the correct solution being fortuitously present in the top-k completions of the prompt (and being recognized as such by an external verifier). Our results thus call into question claims about the self-critiquing capabilities of state of the art LLMs.

  • 3 authors
·
Oct 18, 2023

Remote sensing framework for geological mapping via stacked autoencoders and clustering

Supervised machine learning methods for geological mapping via remote sensing face limitations due to the scarcity of accurately labelled training data that can be addressed by unsupervised learning, such as dimensionality reduction and clustering. Dimensionality reduction methods have the potential to play a crucial role in improving the accuracy of geological maps. Although conventional dimensionality reduction methods may struggle with nonlinear data, unsupervised deep learning models such as autoencoders can model non-linear relationships. Stacked autoencoders feature multiple interconnected layers to capture hierarchical data representations useful for remote sensing data. We present an unsupervised machine learning-based framework for processing remote sensing data using stacked autoencoders for dimensionality reduction and k-means clustering for mapping geological units. We use Landsat 8, ASTER, and Sentinel-2 datasets to evaluate the framework for geological mapping of the Mutawintji region in Western New South Wales, Australia. We also compare stacked autoencoders with principal component analysis (PCA) and canonical autoencoders. Our results reveal that the framework produces accurate and interpretable geological maps, efficiently discriminating rock units. The results reveal that the combination of stacked autoencoders with Sentinel-2 data yields the best performance accuracy when compared to other combinations. We find that stacked autoencoders enable better extraction of complex and hierarchical representations of the input data when compared to canonical autoencoders and PCA. We also find that the generated maps align with prior geological knowledge of the study area while providing novel insights into geological structures.

  • 4 authors
·
Apr 2, 2024

MatryoshkaKV: Adaptive KV Compression via Trainable Orthogonal Projection

KV cache has become a de facto technique for the inference of large language models (LLMs), where tensors of shape (layer number, head number, sequence length, feature dimension) are introduced to cache historical information for self-attention. As the size of the model and data grows, the KV cache can quickly become a bottleneck within the system in both storage and memory transfer. To address this, prior studies usually focus on the first three axes of the cache tensors for compression. This paper supplements them, focusing on the feature dimension axis, by utilizing low-rank projection matrices to transform the cache features into spaces with reduced dimensions. We begin by investigating the canonical orthogonal projection method for data compression through principal component analysis (PCA). We observe the issue with PCA projection where significant performance degradation is observed at low compression rates. To bridge the gap, we propose to directly tune the orthogonal projection matrices with a distillation objective using an elaborate Matryoshka training strategy. After training, we adaptively search for the optimal compression rates for various layers and heads given varying compression budgets. Compared to previous works, our method can easily embrace pre-trained LLMs and hold a smooth tradeoff between performance and compression rate. We empirically witness the high data efficiency of our training procedure and find that our method can sustain over 90% performance with an average KV cache compression rate of 60% (and up to 75% in certain extreme scenarios) for popular LLMs like LLaMA2-7B-base and Mistral-7B-v0.3-base.

  • 8 authors
·
Oct 16, 2024

Vitruvio: 3D Building Meshes via Single Perspective Sketches

Today's architectural engineering and construction (AEC) software require a learning curve to generate a three-dimension building representation. This limits the ability to quickly validate the volumetric implications of an initial design idea communicated via a single sketch. Allowing designers to translate a single sketch to a 3D building will enable owners to instantly visualize 3D project information without the cognitive load required. If previous state-of-the-art (SOTA) data-driven methods for single view reconstruction (SVR) showed outstanding results in the reconstruction process from a single image or sketch, they lacked specific applications, analysis, and experiments in the AEC. Therefore, this research addresses this gap, introducing the first deep learning method focused only on buildings that aim to convert a single sketch to a 3D building mesh: Vitruvio. Vitruvio adapts Occupancy Network for SVR tasks on a specific building dataset (Manhattan 1K). This adaptation brings two main improvements. First, it accelerates the inference process by more than 26% (from 0.5s to 0.37s). Second, it increases the reconstruction accuracy (measured by the Chamfer Distance) by 18%. During this adaptation in the AEC domain, we evaluate the effect of the building orientation in the learning procedure since it constitutes an important design factor. While aligning all the buildings to a canonical pose improved the overall quantitative metrics, it did not capture fine-grain details in more complex building shapes (as shown in our qualitative analysis). Finally, Vitruvio outputs a 3D-printable building mesh with arbitrary topology and genus from a single perspective sketch, providing a step forward to allow owners and designers to communicate 3D information via a 2D, effective, intuitive, and universal communication medium: the sketch.

  • 4 authors
·
Oct 24, 2022

Introduction to Machine Learning

This book introduces the mathematical foundations and techniques that lead to the development and analysis of many of the algorithms that are used in machine learning. It starts with an introductory chapter that describes notation used throughout the book and serve at a reminder of basic concepts in calculus, linear algebra and probability and also introduces some measure theoretic terminology, which can be used as a reading guide for the sections that use these tools. The introductory chapters also provide background material on matrix analysis and optimization. The latter chapter provides theoretical support to many algorithms that are used in the book, including stochastic gradient descent, proximal methods, etc. After discussing basic concepts for statistical prediction, the book includes an introduction to reproducing kernel theory and Hilbert space techniques, which are used in many places, before addressing the description of various algorithms for supervised statistical learning, including linear methods, support vector machines, decision trees, boosting, or neural networks. The subject then switches to generative methods, starting with a chapter that presents sampling methods and an introduction to the theory of Markov chains. The following chapter describe the theory of graphical models, an introduction to variational methods for models with latent variables, and to deep-learning based generative models. The next chapters focus on unsupervised learning methods, for clustering, factor analysis and manifold learning. The final chapter of the book is theory-oriented and discusses concentration inequalities and generalization bounds.

  • 1 authors
·
Sep 4, 2024

Orthogonal Matrices for MBAT Vector Symbolic Architectures, and a "Soft" VSA Representation for JSON

Vector Symbolic Architectures (VSAs) give a way to represent a complex object as a single fixed-length vector, so that similar objects have similar vector representations. These vector representations then become easy to use for machine learning or nearest-neighbor search. We review a previously proposed VSA method, MBAT (Matrix Binding of Additive Terms), which uses multiplication by random matrices for binding related terms. However, multiplying by such matrices introduces instabilities which can harm performance. Making the random matrices be orthogonal matrices provably fixes this problem. With respect to larger scale applications, we see how to apply MBAT vector representations for any data expressed in JSON. JSON is used in numerous programming languages to express complex data, but its native format appears highly unsuited for machine learning. Expressing JSON as a fixed-length vector makes it readily usable for machine learning and nearest-neighbor search. Creating such JSON vectors also shows that a VSA needs to employ binding operations that are non-commutative. VSAs are now ready to try with full-scale practical applications, including healthcare, pharmaceuticals, and genomics. Keywords: MBAT (Matrix Binding of Additive Terms), VSA (Vector Symbolic Architecture), HDC (Hyperdimensional Computing), Distributed Representations, Binding, Orthogonal Matrices, Recurrent Connections, Machine Learning, Search, JSON, VSA Applications

  • 1 authors
·
Feb 8, 2022

SESA: Supervised Explicit Semantic Analysis

In recent years supervised representation learning has provided state of the art or close to the state of the art results in semantic analysis tasks including ranking and information retrieval. The core idea is to learn how to embed items into a latent space such that they optimize a supervised objective in that latent space. The dimensions of the latent space have no clear semantics, and this reduces the interpretability of the system. For example, in personalization models, it is hard to explain why a particular item is ranked high for a given user profile. We propose a novel model of representation learning called Supervised Explicit Semantic Analysis (SESA) that is trained in a supervised fashion to embed items to a set of dimensions with explicit semantics. The model learns to compare two objects by representing them in this explicit space, where each dimension corresponds to a concept from a knowledge base. This work extends Explicit Semantic Analysis (ESA) with a supervised model for ranking problems. We apply this model to the task of Job-Profile relevance in LinkedIn in which a set of skills defines our explicit dimensions of the space. Every profile and job are encoded to this set of skills their similarity is calculated in this space. We use RNNs to embed text input into this space. In addition to interpretability, our model makes use of the web-scale collaborative skills data that is provided by users for each LinkedIn profile. Our model provides state of the art result while it remains interpretable.

  • 2 authors
·
Aug 10, 2017

On the Anatomy of Real-World R Code for Static Analysis

CONTEXT The R programming language has a huge and active community, especially in the area of statistical computing. Its interpreted nature allows for several interesting constructs, like the manipulation of functions at run-time, that hinder the static analysis of R programs. At the same time, there is a lack of existing research regarding how these features, or even the R language as a whole are used in practice. OBJECTIVE In this paper, we conduct a large-scale, static analysis of more than 50 million lines of real-world R programs and packages to identify their characteristics and the features that are actually used. Moreover, we compare the similarities and differences between the scripts of R users and the implementations of package authors. We provide insights for static analysis tools like the lintr package as well as potential interpreter optimizations and uncover areas for future research. METHOD We analyze 4230 R scripts submitted alongside publications and the sources of 19450 CRAN packages for over 350000 R files, collecting and summarizing quantitative information for features of interest. RESULTS We find a high frequency of name-based indexing operations, assignments, and loops, but a low frequency for most of R's reflective functions. Furthermore, we find neither testing functions nor many calls to R's foreign function interface (FFI) in the publication submissions. CONCLUSION R scripts and package sources differ, for example, in their size, the way they include other packages, and their usage of R's reflective capabilities. We provide features that are used frequently and should be prioritized by static analysis tools, like operator assignments, function calls, and certain reflective functions like load.

  • 6 authors
·
Jan 29, 2024

Unsupervised Manifold Linearizing and Clustering

We consider the problem of simultaneously clustering and learning a linear representation of data lying close to a union of low-dimensional manifolds, a fundamental task in machine learning and computer vision. When the manifolds are assumed to be linear subspaces, this reduces to the classical problem of subspace clustering, which has been studied extensively over the past two decades. Unfortunately, many real-world datasets such as natural images can not be well approximated by linear subspaces. On the other hand, numerous works have attempted to learn an appropriate transformation of the data, such that data is mapped from a union of general non-linear manifolds to a union of linear subspaces (with points from the same manifold being mapped to the same subspace). However, many existing works have limitations such as assuming knowledge of the membership of samples to clusters, requiring high sampling density, or being shown theoretically to learn trivial representations. In this paper, we propose to optimize the Maximal Coding Rate Reduction metric with respect to both the data representation and a novel doubly stochastic cluster membership, inspired by state-of-the-art subspace clustering results. We give a parameterization of such a representation and membership, allowing efficient mini-batching and one-shot initialization. Experiments on CIFAR-10, -20, -100, and TinyImageNet-200 datasets show that the proposed method is much more accurate and scalable than state-of-the-art deep clustering methods, and further learns a latent linear representation of the data.

  • 6 authors
·
Jan 4, 2023

Diffusion Models Learn Low-Dimensional Distributions via Subspace Clustering

Recent empirical studies have demonstrated that diffusion models can effectively learn the image distribution and generate new samples. Remarkably, these models can achieve this even with a small number of training samples despite a large image dimension, circumventing the curse of dimensionality. In this work, we provide theoretical insights into this phenomenon by leveraging key empirical observations: (i) the low intrinsic dimensionality of image data, (ii) a union of manifold structure of image data, and (iii) the low-rank property of the denoising autoencoder in trained diffusion models. These observations motivate us to assume the underlying data distribution of image data as a mixture of low-rank Gaussians and to parameterize the denoising autoencoder as a low-rank model according to the score function of the assumed distribution. With these setups, we rigorously show that optimizing the training loss of diffusion models is equivalent to solving the canonical subspace clustering problem over the training samples. Based on this equivalence, we further show that the minimal number of samples required to learn the underlying distribution scales linearly with the intrinsic dimensions under the above data and model assumptions. This insight sheds light on why diffusion models can break the curse of dimensionality and exhibit the phase transition in learning distributions. Moreover, we empirically establish a correspondence between the subspaces and the semantic representations of image data, facilitating image editing. We validate these results with corroborated experimental results on both simulated distributions and image datasets.

  • 6 authors
·
Sep 4, 2024

The Local Interaction Basis: Identifying Computationally-Relevant and Sparsely Interacting Features in Neural Networks

Mechanistic interpretability aims to understand the behavior of neural networks by reverse-engineering their internal computations. However, current methods struggle to find clear interpretations of neural network activations because a decomposition of activations into computational features is missing. Individual neurons or model components do not cleanly correspond to distinct features or functions. We present a novel interpretability method that aims to overcome this limitation by transforming the activations of the network into a new basis - the Local Interaction Basis (LIB). LIB aims to identify computational features by removing irrelevant activations and interactions. Our method drops irrelevant activation directions and aligns the basis with the singular vectors of the Jacobian matrix between adjacent layers. It also scales features based on their importance for downstream computation, producing an interaction graph that shows all computationally-relevant features and interactions in a model. We evaluate the effectiveness of LIB on modular addition and CIFAR-10 models, finding that it identifies more computationally-relevant features that interact more sparsely, compared to principal component analysis. However, LIB does not yield substantial improvements in interpretability or interaction sparsity when applied to language models. We conclude that LIB is a promising theory-driven approach for analyzing neural networks, but in its current form is not applicable to large language models.

  • 10 authors
·
May 17, 2024

Evaluating the Impact of Source Code Parsers on ML4SE Models

As researchers and practitioners apply Machine Learning to increasingly more software engineering problems, the approaches they use become more sophisticated. A lot of modern approaches utilize internal code structure in the form of an abstract syntax tree (AST) or its extensions: path-based representation, complex graph combining AST with additional edges. Even though the process of extracting ASTs from code can be done with different parsers, the impact of choosing a parser on the final model quality remains unstudied. Moreover, researchers often omit the exact details of extracting particular code representations. In this work, we evaluate two models, namely Code2Seq and TreeLSTM, in the method name prediction task backed by eight different parsers for the Java language. To unify the process of data preparation with different parsers, we develop SuperParser, a multi-language parser-agnostic library based on PathMiner. SuperParser facilitates the end-to-end creation of datasets suitable for training and evaluation of ML models that work with structural information from source code. Our results demonstrate that trees built by different parsers vary in their structure and content. We then analyze how this diversity affects the models' quality and show that the quality gap between the most and least suitable parsers for both models turns out to be significant. Finally, we discuss other features of the parsers that researchers and practitioners should take into account when selecting a parser along with the impact on the models' quality. The code of SuperParser is publicly available at https://doi.org/10.5281/zenodo.6366591. We also publish Java-norm, the dataset we use to evaluate the models: https://doi.org/10.5281/zenodo.6366599.

  • 4 authors
·
Jun 17, 2022

Partial Correlations in Compositional Data Analysis

Partial correlations quantify linear association between two variables adjusting for the influence of the remaining variables. They form the backbone for graphical models and are readily obtained from the inverse of the covariance matrix. For compositional data, the covariance structure is specified from log ratios of variables, so unless we try to "open" the data via a normalization, this implies changes in the definition and interpretation of partial correlations. In the present work, we elucidate how results derived by Aitchison (1986) lead to a natural definition of partial correlation that has a number of advantages over current measures of association. For this, we show that the residuals of log-ratios between a variable with a reference, when adjusting for all remaining variables including the reference, are reference-independent. Since the reference itself can be controlled for, correlations between residuals are defined for the variables directly without the necessity to recur to ratios except when specifying which variables are partialled out. Thus, perhaps surprisingly, partial correlations do not have the problems commonly found with measures of pairwise association on compositional data. They are well-defined between two variables, are properly scaled, and allow for negative association. By design, they are subcompositionally incoherent, but they share this property with conventional partial correlations (where results change when adjusting for the influence of fewer variables). We discuss the equivalence with normalization-based approaches whenever the normalizing variables are controlled for. We also discuss the partial variances and correlations we obtain from a previously studied data set of Roman glass cups.

  • 1 authors
·
Apr 20, 2019

NoProp: Training Neural Networks without Back-propagation or Forward-propagation

The canonical deep learning approach for learning requires computing a gradient term at each layer by back-propagating the error signal from the output towards each learnable parameter. Given the stacked structure of neural networks, where each layer builds on the representation of the layer below, this approach leads to hierarchical representations. More abstract features live on the top layers of the model, while features on lower layers are expected to be less abstract. In contrast to this, we introduce a new learning method named NoProp, which does not rely on either forward or backwards propagation. Instead, NoProp takes inspiration from diffusion and flow matching methods, where each layer independently learns to denoise a noisy target. We believe this work takes a first step towards introducing a new family of gradient-free learning methods, that does not learn hierarchical representations -- at least not in the usual sense. NoProp needs to fix the representation at each layer beforehand to a noised version of the target, learning a local denoising process that can then be exploited at inference. We demonstrate the effectiveness of our method on MNIST, CIFAR-10, and CIFAR-100 image classification benchmarks. Our results show that NoProp is a viable learning algorithm which achieves superior accuracy, is easier to use and computationally more efficient compared to other existing back-propagation-free methods. By departing from the traditional gradient based learning paradigm, NoProp alters how credit assignment is done within the network, enabling more efficient distributed learning as well as potentially impacting other characteristics of the learning process.

  • 3 authors
·
Mar 31, 2025

The AI Cosmologist I: An Agentic System for Automated Data Analysis

We present the AI Cosmologist, an agentic system designed to automate cosmological/astronomical data analysis and machine learning research workflows. This implements a complete pipeline from idea generation to experimental evaluation and research dissemination, mimicking the scientific process typically performed by human researchers. The system employs specialized agents for planning, coding, execution, analysis, and synthesis that work together to develop novel approaches. Unlike traditional auto machine-learning systems, the AI Cosmologist generates diverse implementation strategies, writes complete code, handles execution errors, analyzes results, and synthesizes new approaches based on experimental outcomes. We demonstrate the AI Cosmologist capabilities across several machine learning tasks, showing how it can successfully explore solution spaces, iterate based on experimental results, and combine successful elements from different approaches. Our results indicate that agentic systems can automate portions of the research process, potentially accelerating scientific discovery. The code and experimental data used in this paper are available on GitHub at https://github.com/adammoss/aicosmologist. Example papers included in the appendix demonstrate the system's capability to autonomously produce complete scientific publications, starting from only the dataset and task description

  • 1 authors
·
Apr 4, 2025

Causal Inference by String Diagram Surgery

Extracting causal relationships from observed correlations is a growing area in probabilistic reasoning, originating with the seminal work of Pearl and others from the early 1990s. This paper develops a new, categorically oriented view based on a clear distinction between syntax (string diagrams) and semantics (stochastic matrices), connected via interpretations as structure-preserving functors. A key notion in the identification of causal effects is that of an intervention, whereby a variable is forcefully set to a particular value independent of any prior propensities. We represent the effect of such an intervention as an endofunctor which performs `string diagram surgery' within the syntactic category of string diagrams. This diagram surgery in turn yields a new, interventional distribution via the interpretation functor. While in general there is no way to compute interventional distributions purely from observed data, we show that this is possible in certain special cases using a calculational tool called comb disintegration. We demonstrate the use of this technique on a well-known toy example, where we predict the causal effect of smoking on cancer in the presence of a confounding common cause. After developing this specific example, we show this technique provides simple sufficient conditions for computing interventions which apply to a wide variety of situations considered in the causal inference literature.

  • 3 authors
·
Nov 20, 2018

OpenCUA: Open Foundations for Computer-Use Agents

Vision-language models have demonstrated impressive capabilities as computer-use agents (CUAs) capable of automating diverse computer tasks. As their commercial potential grows, critical details of the most capable CUA systems remain closed. As these agents will increasingly mediate digital interactions and execute consequential decisions on our behalf, the research community needs access to open CUA frameworks to study their capabilities, limitations, and risks. To bridge this gap, we propose OpenCUA, a comprehensive open-source framework for scaling CUA data and foundation models. Our framework consists of: (1) an annotation infrastructure that seamlessly captures human computer-use demonstrations; (2) AgentNet, the first large-scale computer-use task dataset spanning 3 operating systems and 200+ applications and websites; (3) a scalable pipeline that transforms demonstrations into state-action pairs with reflective long Chain-of-Thought reasoning that sustain robust performance gains as data scales. Our end-to-end agent models demonstrate strong performance across CUA benchmarks. In particular, OpenCUA-32B achieves an average success rate of 34.8% on OSWorld-Verified, establishing a new state-of-the-art (SOTA) among open-source models and surpassing OpenAI CUA (GPT-4o). Further analysis confirms that our approach generalizes well across domains and benefits significantly from increased test-time computation. We release our annotation tool, datasets, code, and models to build open foundations for further CUA research.

  • 39 authors
·
Aug 12, 2025 2

Interpret the Internal States of Recommendation Model with Sparse Autoencoder

Explainable recommendation systems are important to enhance transparency, accuracy, and fairness. Beyond result-level explanations, model-level interpretations can provide valuable insights that allow developers to optimize system designs and implement targeted improvements. However, most current approaches depend on specialized model designs, which often lack generalization capabilities. Given the various kinds of recommendation models, existing methods have limited ability to effectively interpret them. To address this issue, we propose RecSAE, an automatic, generalizable probing method for interpreting the internal states of Recommendation models with Sparse AutoEncoder. RecSAE serves as a plug-in module that does not affect original models during interpretations, while also enabling predictable modifications to their behaviors based on interpretation results. Firstly, we train an autoencoder with sparsity constraints to reconstruct internal activations of recommendation models, making the RecSAE latents more interpretable and monosemantic than the original neuron activations. Secondly, we automated the construction of concept dictionaries based on the relationship between latent activations and input item sequences. Thirdly, RecSAE validates these interpretations by predicting latent activations on new item sequences using the concept dictionary and deriving interpretation confidence scores from precision and recall. We demonstrate RecSAE's effectiveness on two datasets, identifying hundreds of highly interpretable concepts from pure ID-based models. Latent ablation studies further confirm that manipulating latent concepts produces corresponding changes in model output behavior, underscoring RecSAE's utility for both understanding and targeted tuning recommendation models. Code and data are publicly available at https://github.com/Alice1998/RecSAE.

  • 4 authors
·
Nov 9, 2024

One-connection rule for structural equation models

Linear structural equation models are multivariate statistical models encoded by mixed graphs. In particular, the set of covariance matrices for distributions belonging to a linear structural equation model for a fixed mixed graph G=(V, D,B) is parameterized by a rational function with parameters for each vertex and edge in G. This rational parametrization naturally allows for the study of these models from an algebraic and combinatorial point of view. Indeed, this point of view has led to a collection of results in the literature, mainly focusing on questions related to identifiability and determining relationships between covariances (i.e., finding polynomials in the Gaussian vanishing ideal). So far, a large proportion of these results has focused on the case when D, the directed part of the mixed graph G, is acyclic. This is due to the fact that in the acyclic case, the parametrization becomes polynomial and there is a description of the entries of the covariance matrices in terms of a finite sum. We move beyond the acyclic case and give a closed form expression for the entries of the covariance matrices in terms of the one-connections in a graph obtained from D through some small operations. This closed form expression then allows us to show that if G is simple, then the parametrization map is generically finite-to-one. Finally, having a closed form expression for the covariance matrices allows for the development of an algorithm for systematically exploring possible polynomials in the Gaussian vanishing ideal.

  • 4 authors
·
Oct 1, 2022

Preserving Statistical Validity in Adaptive Data Analysis

A great deal of effort has been devoted to reducing the risk of spurious scientific discoveries, from the use of sophisticated validation techniques, to deep statistical methods for controlling the false discovery rate in multiple hypothesis testing. However, there is a fundamental disconnect between the theoretical results and the practice of data analysis: the theory of statistical inference assumes a fixed collection of hypotheses to be tested, or learning algorithms to be applied, selected non-adaptively before the data are gathered, whereas in practice data is shared and reused with hypotheses and new analyses being generated on the basis of data exploration and the outcomes of previous analyses. In this work we initiate a principled study of how to guarantee the validity of statistical inference in adaptive data analysis. As an instance of this problem, we propose and investigate the question of estimating the expectations of m adaptively chosen functions on an unknown distribution given n random samples. We show that, surprisingly, there is a way to estimate an exponential in n number of expectations accurately even if the functions are chosen adaptively. This gives an exponential improvement over standard empirical estimators that are limited to a linear number of estimates. Our result follows from a general technique that counter-intuitively involves actively perturbing and coordinating the estimates, using techniques developed for privacy preservation. We give additional applications of this technique to our question.

  • 6 authors
·
Nov 10, 2014

UniHDSA: A Unified Relation Prediction Approach for Hierarchical Document Structure Analysis

Document structure analysis, aka document layout analysis, is crucial for understanding both the physical layout and logical structure of documents, serving information retrieval, document summarization, knowledge extraction, etc. Hierarchical Document Structure Analysis (HDSA) specifically aims to restore the hierarchical structure of documents created using authoring software with hierarchical schemas. Previous research has primarily followed two approaches: one focuses on tackling specific subtasks of HDSA in isolation, such as table detection or reading order prediction, while the other adopts a unified framework that uses multiple branches or modules, each designed to address a distinct task. In this work, we propose a unified relation prediction approach for HDSA, called UniHDSA, which treats various HDSA sub-tasks as relation prediction problems and consolidates relation prediction labels into a unified label space. This allows a single relation prediction module to handle multiple tasks simultaneously, whether at a page-level or document-level structure analysis. To validate the effectiveness of UniHDSA, we develop a multimodal end-to-end system based on Transformer architectures. Extensive experimental results demonstrate that our approach achieves state-of-the-art performance on a hierarchical document structure analysis benchmark, Comp-HRDoc, and competitive results on a large-scale document layout analysis dataset, DocLayNet, effectively illustrating the superiority of our method across all sub-tasks. The Comp-HRDoc benchmark and UniHDSA's configurations are publicly available at https://github.com/microsoft/CompHRDoc.

  • 3 authors
·
Mar 20, 2025 2

The Gauss-Markov Adjunction: Categorical Semantics of Residuals in Supervised Learning

Enhancing the intelligibility and interpretability of machine learning is a crucial task in responding to the demand for Explicability as an AI principle, and in promoting the better social implementation of AI. The aim of our research is to contribute to this improvement by reformulating machine learning models through the lens of category theory, thereby developing a semantic framework for structuring and understanding AI systems. Our categorical modeling in this paper clarifies and formalizes the structural interplay between residuals and parameters in supervised learning. The present paper focuses on the multiple linear regression model, which represents the most basic form of supervised learning. By defining two concrete categories corresponding to parameters and data, along with an adjoint pair of functors between them, we introduce our categorical formulation of supervised learning. We show that the essential structure of this framework is captured by what we call the Gauss-Markov Adjunction. Within this setting, the dual flow of information can be explicitly described as a correspondence between variations in parameters and residuals. The ordinary least squares estimator for the parameters and the minimum residual are related via the preservation of limits by the right adjoint functor. Furthermore, we position this formulation as an instance of extended denotational semantics for supervised learning, and propose applying a semantic perspective developed in theoretical computer science as a formal foundation for Explicability in AI.

  • 1 authors
·
Jul 3, 2025 1

Evaluating the Performance of Some Local Optimizers for Variational Quantum Classifiers

In this paper, we have studied the performance and role of local optimizers in quantum variational circuits. We studied the performance of the two most popular optimizers and compared their results with some popular classical machine learning algorithms. The classical algorithms we used in our study are support vector machine (SVM), gradient boosting (GB), and random forest (RF). These were compared with a variational quantum classifier (VQC) using two sets of local optimizers viz AQGD and COBYLA. For experimenting with VQC, IBM Quantum Experience and IBM Qiskit was used while for classical machine learning models, sci-kit learn was used. The results show that machine learning on noisy immediate scale quantum machines can produce comparable results as on classical machines. For our experiments, we have used a popular restaurant sentiment analysis dataset. The extracted features from this dataset and then after applying PCA reduced the feature set into 5 features. Quantum ML models were trained using 100 epochs and 150 epochs on using EfficientSU2 variational circuit. Overall, four Quantum ML models were trained and three Classical ML models were trained. The performance of the trained models was evaluated using standard evaluation measures viz, Accuracy, Precision, Recall, F-Score. In all the cases AQGD optimizer-based model with 100 Epochs performed better than all other models. It produced an accuracy of 77% and an F-Score of 0.785 which were highest across all the trained models.

  • 3 authors
·
Feb 17, 2021

Extracting Mathematical Concepts with Large Language Models

We extract mathematical concepts from mathematical text using generative large language models (LLMs) like ChatGPT, contributing to the field of automatic term extraction (ATE) and mathematical text processing, and also to the study of LLMs themselves. Our work builds on that of others in that we aim for automatic extraction of terms (keywords) in one mathematical field, category theory, using as a corpus the 755 abstracts from a snapshot of the online journal "Theory and Applications of Categories", circa 2020. Where our study diverges from previous work is in (1) providing a more thorough analysis of what makes mathematical term extraction a difficult problem to begin with; (2) paying close attention to inter-annotator disagreements; (3) providing a set of guidelines which both human and machine annotators could use to standardize the extraction process; (4) introducing a new annotation tool to help humans with ATE, applicable to any mathematical field and even beyond mathematics; (5) using prompts to ChatGPT as part of the extraction process, and proposing best practices for such prompts; and (6) raising the question of whether ChatGPT could be used as an annotator on the same level as human experts. Our overall findings are that the matter of mathematical ATE is an interesting field which can benefit from participation by LLMs, but LLMs themselves cannot at this time surpass human performance on it.

  • 4 authors
·
Aug 29, 2023

URSA: Understanding and Verifying Chain-of-thought Reasoning in Multimodal Mathematics

Chain-of-thought (CoT) reasoning has been widely applied in the mathematical reasoning of Large Language Models (LLMs). Recently, the introduction of derivative process supervision on CoT trajectories has sparked discussions on enhancing scaling capabilities during test time, thereby boosting the potential of these models. However, in multimodal mathematical reasoning, the scarcity of high-quality CoT training data has hindered existing models from achieving high-precision CoT reasoning and has limited the realization of reasoning potential during test time. In this work, we propose a three-module synthesis strategy that integrates CoT distillation, trajectory-format rewriting, and format unification. It results in a high-quality CoT reasoning instruction fine-tuning dataset in multimodal mathematics, MMathCoT-1M. We comprehensively validate the state-of-the-art (SOTA) performance of the trained URSA-7B model on multiple multimodal mathematical benchmarks. For test-time scaling, we introduce a data synthesis strategy that automatically generates process annotation datasets, known as DualMath-1.1M, focusing on both interpretation and logic. By further training URSA-7B on DualMath-1.1M, we transition from CoT reasoning capabilities to robust supervision abilities. The trained URSA-RM-7B acts as a verifier, effectively enhancing the performance of URSA-7B at test time. URSA-RM-7B also demonstrates excellent out-of-distribution (OOD) verifying capabilities, showcasing its generalization. Model weights, training data and code will be open-sourced.

  • 8 authors
·
Jan 8, 2025 3

LiveResearchBench: A Live Benchmark for User-Centric Deep Research in the Wild

Deep research -- producing comprehensive, citation-grounded reports by searching and synthesizing information from hundreds of live web sources -- marks an important frontier for agentic systems. To rigorously evaluate this ability, four principles are essential: tasks should be (1) user-centric, reflecting realistic information needs, (2) dynamic, requiring up-to-date information beyond parametric knowledge, (3) unambiguous, ensuring consistent interpretation across users, and (4) multi-faceted and search-intensive, requiring search over numerous web sources and in-depth analysis. Existing benchmarks fall short of these principles, often focusing on narrow domains or posing ambiguous questions that hinder fair comparison. Guided by these principles, we introduce LiveResearchBench, a benchmark of 100 expert-curated tasks spanning daily life, enterprise, and academia, each requiring extensive, dynamic, real-time web search and synthesis. Built with over 1,500 hours of human labor, LiveResearchBench provides a rigorous basis for systematic evaluation. To evaluate citation-grounded long-form reports, we introduce DeepEval, a comprehensive suite covering both content- and report-level quality, including coverage, presentation, citation accuracy and association, consistency and depth of analysis. DeepEval integrates four complementary evaluation protocols, each designed to ensure stable assessment and high agreement with human judgments. Using LiveResearchBench and DeepEval, we conduct a comprehensive evaluation of 17 frontier deep research systems, including single-agent web search, single-agent deep research, and multi-agent systems. Our analysis reveals current strengths, recurring failure modes, and key system components needed to advance reliable, insightful deep research.

Salesforce Salesforce
·
Oct 15, 2025 3

PAC Generalization via Invariant Representations

One method for obtaining generalizable solutions to machine learning tasks when presented with diverse training environments is to find invariant representations of the data. These are representations of the covariates such that the best model on top of the representation is invariant across training environments. In the context of linear Structural Equation Models (SEMs), invariant representations might allow us to learn models with out-of-distribution guarantees, i.e., models that are robust to interventions in the SEM. To address the invariant representation problem in a {\em finite sample} setting, we consider the notion of epsilon-approximate invariance. We study the following question: If a representation is approximately invariant with respect to a given number of training interventions, will it continue to be approximately invariant on a larger collection of unseen SEMs? This larger collection of SEMs is generated through a parameterized family of interventions. Inspired by PAC learning, we obtain finite-sample out-of-distribution generalization guarantees for approximate invariance that holds probabilistically over a family of linear SEMs without faithfulness assumptions. Our results show bounds that do not scale in ambient dimension when intervention sites are restricted to lie in a constant size subset of in-degree bounded nodes. We also show how to extend our results to a linear indirect observation model that incorporates latent variables.

  • 3 authors
·
May 30, 2022

Comparison of Unsupervised Metrics for Evaluating Judicial Decision Extraction

The rapid advancement of artificial intelligence in legal natural language processing demands scalable methods for evaluating text extraction from judicial decisions. This study evaluates 16 unsupervised metrics, including novel formulations, to assess the quality of extracting seven semantic blocks from 1,000 anonymized Russian judicial decisions, validated against 7,168 expert reviews on a 1--5 Likert scale. These metrics, spanning document-based, semantic, structural, pseudo-ground truth, and legal-specific categories, operate without pre-annotated ground truth. Bootstrapped correlations, Lin's concordance correlation coefficient (CCC), and mean absolute error (MAE) reveal that Term Frequency Coherence (Pearson r = 0.540, Lin CCC = 0.512, MAE = 0.127) and Coverage Ratio/Block Completeness (Pearson r = 0.513, Lin CCC = 0.443, MAE = 0.139) best align with expert ratings, while Legal Term Density (Pearson r = -0.479, Lin CCC = -0.079, MAE = 0.394) show strong negative correlations. The LLM Evaluation Score (mean = 0.849, Pearson r = 0.382, Lin CCC = 0.325, MAE = 0.197) showed moderate alignment, but its performance, using gpt-4.1-mini via g4f, suggests limited specialization for legal textse. These findings highlight that unsupervised metrics, including LLM-based approaches, enable scalable screening but, with moderate correlations and low CCC values, cannot fully replace human judgment in high-stakes legal contexts. This work advances legal NLP by providing annotation-free evaluation tools, with implications for judicial analytics and ethical AI deployment.

  • 5 authors
·
Oct 2, 2025

Approximating the Top Eigenvector in Random Order Streams

When rows of an n times d matrix A are given in a stream, we study algorithms for approximating the top eigenvector of the matrix {A}^TA (equivalently, the top right singular vector of A). We consider worst case inputs A but assume that the rows are presented to the streaming algorithm in a uniformly random order. We show that when the gap parameter R = σ_1(A)^2/σ_2(A)^2 = Ω(1), then there is a randomized algorithm that uses O(h cdot d cdot polylog(d)) bits of space and outputs a unit vector v that has a correlation 1 - O(1/R) with the top eigenvector v_1. Here h denotes the number of heavy rows in the matrix, defined as the rows with Euclidean norm at least |{A}|_F/d cdot operatorname{polylog(d)}. We also provide a lower bound showing that any algorithm using O(hd/R) bits of space can obtain at most 1 - Ω(1/R^2) correlation with the top eigenvector. Thus, parameterizing the space complexity in terms of the number of heavy rows is necessary for high accuracy solutions. Our results improve upon the R = Ω(log n cdot log d) requirement in a recent work of Price and Xun (FOCS 2024). We note that the algorithm of Price and Xun works for arbitrary order streams whereas our algorithm requires a stronger assumption that the rows are presented in a uniformly random order. We additionally show that the gap requirements in their analysis can be brought down to R = Ω(log^2 d) for arbitrary order streams and R = Ω(log d) for random order streams. The requirement of R = Ω(log d) for random order streams is nearly tight for their analysis as we obtain a simple instance with R = Ω(log d/loglog d) for which their algorithm, with any fixed learning rate, cannot output a vector approximating the top eigenvector v_1.

  • 2 authors
·
Dec 16, 2024