new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Sep 7

Understanding Transformers through the Lens of Pavlovian Conditioning

Transformer architectures have revolutionized artificial intelligence (AI) through their attention mechanisms, yet the computational principles underlying their success remain opaque. We present a novel theoretical framework that reinterprets the core computation of attention as Pavlovian conditioning. Our model finds a direct mathematical analogue in linear attention, which simplifies the analysis of the underlying associative process. We demonstrate that attention's queries, keys, and values can be mapped to the three elements of classical conditioning: test stimuli that probe associations, conditional stimuli (CS) that serve as retrieval cues, and unconditional stimuli (US) that contain response information. Through this lens, we suggest that each attention operation constructs a transient associative memory via a Hebbian rule, where CS-US pairs form dynamic associations that test stimuli can later retrieve. Our framework yields several theoretical insights grounded in this linearized model: (1) a capacity theorem showing that attention heads can store O(d_k) associations before interference degrades retrieval; (2) an error propagation analysis revealing fundamental architectural trade-offs of balancing model depth, width, and head redundancy to maintain reliability; and (3) an understanding of how biologically plausible learning rules could enhance transformer architectures. By establishing this deep connection, we suggest that the success of modern AI may stem not from architectural novelty alone, but from implementing computational principles that biology optimized over millions of years of evolution.

  • 1 authors
·
Aug 5, 2025

Liger: Linearizing Large Language Models to Gated Recurrent Structures

Transformers with linear recurrent modeling offer linear-time training and constant-memory inference. Despite their demonstrated efficiency and performance, pretraining such non-standard architectures from scratch remains costly and risky. The linearization of large language models (LLMs) transforms pretrained standard models into linear recurrent structures, enabling more efficient deployment. However, current linearization methods typically introduce additional feature map modules that require extensive fine-tuning and overlook the gating mechanisms used in state-of-the-art linear recurrent models. To address these issues, this paper presents Liger, short for Linearizing LLMs to gated recurrent structures. Liger is a novel approach for converting pretrained LLMs into gated linear recurrent models without adding extra parameters. It repurposes the pretrained key matrix weights to construct diverse gating mechanisms, facilitating the formation of various gated recurrent structures while avoiding the need to train additional components from scratch. Using lightweight fine-tuning with Low-Rank Adaptation (LoRA), Liger restores the performance of the linearized gated recurrent models to match that of the original LLMs. Additionally, we introduce Liger Attention, an intra-layer hybrid attention mechanism, which significantly recovers 93\% of the Transformer-based LLM at 0.02\% pre-training tokens during the linearization process, achieving competitive results across multiple benchmarks, as validated on models ranging from 1B to 8B parameters. Code is available at https://github.com/OpenSparseLLMs/Linearization.

  • 5 authors
·
Mar 3, 2025 2

LoLCATs: On Low-Rank Linearizing of Large Language Models

Recent works show we can linearize large language models (LLMs) -- swapping the quadratic attentions of popular Transformer-based LLMs with subquadratic analogs, such as linear attention -- avoiding the expensive pretraining costs. However, linearizing LLMs often significantly degrades model quality, still requires training over billions of tokens, and remains limited to smaller 1.3B to 7B LLMs. We thus propose Low-rank Linear Conversion via Attention Transfer (LoLCATs), a simple two-step method that improves LLM linearizing quality with orders of magnitudes less memory and compute. We base these steps on two findings. First, we can replace an LLM's softmax attentions with closely-approximating linear attentions, simply by training the linear attentions to match their softmax counterparts with an output MSE loss ("attention transfer"). Then, this enables adjusting for approximation errors and recovering LLM quality simply with low-rank adaptation (LoRA). LoLCATs significantly improves linearizing quality, training efficiency, and scalability. We significantly reduce the linearizing quality gap and produce state-of-the-art subquadratic LLMs from Llama 3 8B and Mistral 7B v0.1, leading to 20+ points of improvement on 5-shot MMLU. Furthermore, LoLCATs does so with only 0.2% of past methods' model parameters and 0.4% of their training tokens. Finally, we apply LoLCATs to create the first linearized 70B and 405B LLMs (50x larger than prior work). When compared with prior approaches under the same compute budgets, LoLCATs significantly improves linearizing quality, closing the gap between linearized and original Llama 3.1 70B and 405B LLMs by 77.8% and 78.1% on 5-shot MMLU.

  • 8 authors
·
Oct 14, 2024

Good Debt or Bad Debt: Detecting Semantic Orientations in Economic Texts

The use of robo-readers to analyze news texts is an emerging technology trend in computational finance. In recent research, a substantial effort has been invested to develop sophisticated financial polarity-lexicons that can be used to investigate how financial sentiments relate to future company performance. However, based on experience from other fields, where sentiment analysis is commonly applied, it is well-known that the overall semantic orientation of a sentence may differ from the prior polarity of individual words. The objective of this article is to investigate how semantic orientations can be better detected in financial and economic news by accommodating the overall phrase-structure information and domain-specific use of language. Our three main contributions are: (1) establishment of a human-annotated finance phrase-bank, which can be used as benchmark for training and evaluating alternative models; (2) presentation of a technique to enhance financial lexicons with attributes that help to identify expected direction of events that affect overall sentiment; (3) development of a linearized phrase-structure model for detecting contextual semantic orientations in financial and economic news texts. The relevance of the newly added lexicon features and the benefit of using the proposed learning-algorithm are demonstrated in a comparative study against previously used general sentiment models as well as the popular word frequency models used in recent financial studies. The proposed framework is parsimonious and avoids the explosion in feature-space caused by the use of conventional n-gram features.

  • 5 authors
·
Jul 19, 2013

LongVQ: Long Sequence Modeling with Vector Quantization on Structured Memory

Transformer models have been successful in various sequence processing tasks, but the self-attention mechanism's computational cost limits its practicality for long sequences. Although there are existing attention variants that improve computational efficiency, they have a limited ability to abstract global information effectively based on their hand-crafted mixing strategies. On the other hand, state-space models (SSMs) are tailored for long sequences but cannot capture complicated local information. Therefore, the combination of them as a unified token mixer is a trend in recent long-sequence models. However, the linearized attention degrades performance significantly even when equipped with SSMs. To address the issue, we propose a new method called LongVQ. LongVQ uses the vector quantization (VQ) technique to compress the global abstraction as a length-fixed codebook, enabling the linear-time computation of the attention matrix. This technique effectively maintains dynamic global and local patterns, which helps to complement the lack of long-range dependency issues. Our experiments on the Long Range Arena benchmark, autoregressive language modeling, and image and speech classification demonstrate the effectiveness of LongVQ. Our model achieves significant improvements over other sequence models, including variants of Transformers, Convolutions, and recent State Space Models.

  • 6 authors
·
Apr 17, 2024 2

Linearized Optimal Transport for Analysis of High-Dimensional Point-Cloud and Single-Cell Data

Single-cell technologies generate high-dimensional point clouds of cells, enabling detailed characterization of complex patient states and treatment responses. Yet each patient is represented by an irregular point cloud rather than a simple vector, making it difficult to directly quantify and compare biological differences between individuals. Nonlinear methods such as kernels and neural networks achieve predictive accuracy but act as black boxes, offering little biological interpretability. To address these limitations, we adapt the Linear Optimal Transport (LOT) framework to this setting, embedding irregular point clouds into a fixed-dimensional Euclidean space while preserving distributional structure. This embedding provides a principled linear representation that preserves optimal transport geometry while enabling downstream analysis. It also forms a registration between any two patients, enabling direct comparison of their cellular distributions. Within this space, LOT enables: (i) accurate and interpretable classification of COVID-19 patient states, where classifier weights map back to specific markers and spatial regions driving predictions; and (ii) synthetic data generation for patient-derived organoids, exploiting the linearity of the LOT embedding. LOT barycenters yield averaged cellular profiles representing combined conditions or samples, supporting drug interaction testing. Together, these results establish LOT as a unified framework that bridges predictive performance, interpretability, and generative modeling. By transforming heterogeneous point clouds into structured embeddings directly traceable to the original data, LOT opens new opportunities for understanding immune variation and treatment effects in high-dimensional biological systems.

  • 5 authors
·
Oct 24, 2025

To Backtrack or Not to Backtrack: When Sequential Search Limits Model Reasoning

Recent advancements in large language models have significantly improved their reasoning abilities, particularly through techniques involving search and backtracking. Backtracking naturally scales test-time compute by enabling sequential, linearized exploration via long chain-of-thought (CoT) generation. However, this is not the only strategy for scaling test-time compute: parallel sampling with best-of-n selection provides an alternative that generates diverse solutions simultaneously. Despite the growing adoption of sequential search, its advantages over parallel sampling--especially under a fixed compute budget remain poorly understood. In this paper, we systematically compare these two approaches on two challenging reasoning tasks: CountDown and Sudoku. Surprisingly, we find that sequential search underperforms parallel sampling on CountDown but outperforms it on Sudoku, suggesting that backtracking is not universally beneficial. We identify two factors that can cause backtracking to degrade performance: (1) training on fixed search traces can lock models into suboptimal strategies, and (2) explicit CoT supervision can discourage "implicit" (non-verbalized) reasoning. Extending our analysis to reinforcement learning (RL), we show that models with backtracking capabilities benefit significantly from RL fine-tuning, while models without backtracking see limited, mixed gains. Together, these findings challenge the assumption that backtracking universally enhances LLM reasoning, instead revealing a complex interaction between task structure, training data, model scale, and learning paradigm.

  • 4 authors
·
Apr 9, 2025

Retrofitting Linear Attention into Diffusion Language Models

Diffusion language models (dLLMs) offer a promising alternative to autoregressive models by accelerating inference through parallel decoding. Recent dLLMs commonly use blockwise semi-autoregressive decoding, generating blocks autoregressively while denoising tokens within each active block in parallel. However, despite KV caching, each denoising step still attends to all previous blocks, repeatedly incurring prefix-attention cost. Motivated by this bottleneck, we ask whether dLLM inference can be further accelerated by linearizing attention over previous blocks. We introduce block-hybrid attention, which retains exact softmax attention within the active denoising block while applying linear attention over previous blocks. We show that this hybrid attention can be retrofitted into a pretrained dLLM with minimal post-training: LLaDA-Hybrid replaces 6 of the 20 attention layers in LLaDA~2.1, a 16B open-source dLLM, largely following LoLCAT (Zhang et al, 2024). The conversion takes only approximately 60 hours while preserving benchmark performance: 72.0% vs. 75.6% on HumanEval, 63.0% vs. 57.7% on MBPP+, and 86.7% vs. 88.3% on CMATH. With a Triton implementation, LLaDA-Hybrid achieves up to 1.7times higher decoding throughput and supports more concurrent requests before exhausting memory, showing that pretrained dLLMs can be efficiently linearized for faster inference. Our code is available at: https://github.com/Diuven/LLaDA-Hybrid.

  • 3 authors
·
Aug 5

Mastering Board Games by External and Internal Planning with Language Models

While large language models perform well on a range of complex tasks (e.g., text generation, question answering, summarization), robust multi-step planning and reasoning remains a considerable challenge for them. In this paper we show that search-based planning can significantly improve LLMs' playing strength across several board games (Chess, Fischer Random / Chess960, Connect Four, and Hex). We introduce, compare and contrast two major approaches: In external search, the model guides Monte Carlo Tree Search (MCTS) rollouts and evaluations without calls to an external engine, and in internal search, the model directly generates in-context a linearized tree of potential futures and a resulting final choice. Both build on a language model pre-trained on relevant domain knowledge, capturing the transition and value functions across these games. We find that our pre-training method minimizes hallucinations, as our model is highly accurate regarding state prediction and legal moves. Additionally, both internal and external search indeed improve win-rates against state-of-the-art bots, even reaching Grandmaster-level performance in chess while operating on a similar move count search budget per decision as human Grandmasters. The way we combine search with domain knowledge is not specific to board games, suggesting direct extensions into more general language model inference and training techniques.

  • 16 authors
·
Dec 2, 2024

Attention to Mamba: A Recipe for Cross-Architecture Distillation

State Space Models (SSMs) such as Mamba have become a popular alternative to Transformer models, due to their reduced memory consumption and higher throughput at generation compared to their Attention-based counterparts. On the other hand, the community has built up a considerable body of knowledge on how to train Transformers, and many pretrained Transformer models are readily available. To facilitate the adoption of SSMs while leveraging existing pretrained Transformers, we aim to identify an effective recipe to distill an Attention-based model into a Mamba-like architecture. In prior work on cross-architecture distillation, however, it has been shown that a naïve distillation procedure from Transformers to Mamba fails to preserve the original teacher performance, a limitation often overcome with hybrid solutions combining Attention and SSM blocks. The key argument from our work is that, by equipping Mamba with a principled initialization, we can recover an overall better recipe for cross-architectural distillation. To this end, we propose a principled two-stage approach: first, we distill knowledge from a traditional Transformer into a linearized version of Attention, using an adaptation of the kernel trick. Then, we distill the linearized version into an adapted Mamba model that does not use any Attention block. Overall, the distilled Mamba model is able to preserve the original Pythia-1B Transformer performance in downstream tasks, maintaining a perplexity of 14.11 close to the teacher's 13.86. To show the efficacy of our recipe, we conduct thorough ablations at 1B scale with 10B tokens varying sequence mixer architecture, scaling analysis on model sizes and total distillation tokens, and a sensitivity analysis on tokens allocation between stages.

  • 6 authors
·
Mar 31

ColorFM: An Optimization-to-Learning Framework for Color Transfer via Flow Matching

Color transfer aims to align the color distribution of a source image with that of a reference image while preserving structural and semantic consistency. However, existing methods often suffer from inaccurate global mapping, semantic misalignment, and visual artifacts. To address these issues, we propose ColorFM, an optimization-to-learning framework. ColorFM connects online optimization to offline inference by reformulating color transfer as the transport of pixel distributions along velocity fields via Flow Matching. Specifically, we introduce ColorFM-O, an instance-specific optimization scheme that fits the velocity field through hierarchical color coupling guided by semantic priors. By numerically integrating the induced flow trajectories, ColorFM-O produces precise and semantically consistent color transfer results, while generating high-quality paired data as pseudo-supervision. Building upon this, we design ColorFM-L, an efficient feed-forward model trained on the generated pairs. Through implicit state modeling, ColorFM-L extracts deep semantic features to predict flow parameters for bidirectional linearized transport, ensuring accurate color transfer. Extensive experiments demonstrate that ColorFM-L outperforms state-of-the-art methods in visual quality, structural fidelity, and semantic consistency, successfully combining the accuracy of optimization with the speed of feed-forward inference.

  • 5 authors
·
Jul 7

TabFact: A Large-scale Dataset for Table-based Fact Verification

The problem of verifying whether a textual hypothesis holds based on the given evidence, also known as fact verification, plays an important role in the study of natural language understanding and semantic representation. However, existing studies are mainly restricted to dealing with unstructured evidence (e.g., natural language sentences and documents, news, etc), while verification under structured evidence, such as tables, graphs, and databases, remains under-explored. This paper specifically aims to study the fact verification given semi-structured data as evidence. To this end, we construct a large-scale dataset called TabFact with 16k Wikipedia tables as the evidence for 118k human-annotated natural language statements, which are labeled as either ENTAILED or REFUTED. TabFact is challenging since it involves both soft linguistic reasoning and hard symbolic reasoning. To address these reasoning challenges, we design two different models: Table-BERT and Latent Program Algorithm (LPA). Table-BERT leverages the state-of-the-art pre-trained language model to encode the linearized tables and statements into continuous vectors for verification. LPA parses statements into programs and executes them against the tables to obtain the returned binary value for verification. Both methods achieve similar accuracy but still lag far behind human performance. We also perform a comprehensive analysis to demonstrate great future opportunities. The data and code of the dataset are provided in https://github.com/wenhuchen/Table-Fact-Checking.

  • 8 authors
·
Sep 4, 2019

STILL: Selecting Tokens for Intra-Layer Hybrid Attention to Linearize LLMs

Linearizing pretrained large language models (LLMs) primarily relies on intra-layer hybrid attention mechanisms to alleviate the quadratic complexity of standard softmax attention. Existing methods perform token routing based on sliding-window partitions, resulting in position-based selection and fails to capture token-specific global importance. Meanwhile, linear attention further suffers from distribution shift caused by learnable feature maps that distort pretrained feature magnitudes. Motivated by these limitations, we propose STILL, an intra-layer hybrid linearization framework for efficiently linearizing LLMs. STILL introduces a Self-Saliency Score with strong local-global consistency, enabling accurate token selection using sliding-window computation, and retains salient tokens for sparse softmax attention while summarizing the remaining context via linear attention. To preserve pretrained representations, we design a Norm-Preserved Feature Map (NP-Map) that decouples feature direction from magnitude and reinjects pretrained norms. We further adopt a unified training-inference architecture with chunk-wise parallelization and delayed selection to improve hardware efficiency. Experiments show that STILL matches or surpasses the original pretrained model on commonsense and general reasoning tasks, and achieves up to a 86.2% relative improvement over prior linearized attention methods on long-context benchmarks.

  • 7 authors
·
Feb 2

MPCViT: Searching for Accurate and Efficient MPC-Friendly Vision Transformer with Heterogeneous Attention

Secure multi-party computation (MPC) enables computation directly on encrypted data and protects both data and model privacy in deep learning inference. However, existing neural network architectures, including Vision Transformers (ViTs), are not designed or optimized for MPC and incur significant latency overhead. We observe Softmax accounts for the major latency bottleneck due to a high communication complexity, but can be selectively replaced or linearized without compromising the model accuracy. Hence, in this paper, we propose an MPC-friendly ViT, dubbed MPCViT, to enable accurate yet efficient ViT inference in MPC. Based on a systematic latency and accuracy evaluation of the Softmax attention and other attention variants, we propose a heterogeneous attention optimization space. We also develop a simple yet effective MPC-aware neural architecture search algorithm for fast Pareto optimization. To further boost the inference efficiency, we propose MPCViT+, to jointly optimize the Softmax attention and other network components, including GeLU, matrix multiplication, etc. With extensive experiments, we demonstrate that MPCViT achieves 1.9%, 1.3% and 3.6% higher accuracy with 6.2x, 2.9x and 1.9x latency reduction compared with baseline ViT, MPCFormer and THE-X on the Tiny-ImageNet dataset, respectively. MPCViT+ further achieves a better Pareto front compared with MPCViT. The code and models for evaluation are available at https://github.com/PKU-SEC-Lab/mpcvit.

  • 8 authors
·
Nov 25, 2022

MixLinear: Extreme Low Resource Multivariate Time Series Forecasting with 0.1K Parameters

Recently, there has been a growing interest in Long-term Time Series Forecasting (LTSF), which involves predicting long-term future values by analyzing a large amount of historical time-series data to identify patterns and trends. There exist significant challenges in LTSF due to its complex temporal dependencies and high computational demands. Although Transformer-based models offer high forecasting accuracy, they are often too compute-intensive to be deployed on devices with hardware constraints. On the other hand, the linear models aim to reduce the computational overhead by employing either decomposition methods in the time domain or compact representations in the frequency domain. In this paper, we propose MixLinear, an ultra-lightweight multivariate time series forecasting model specifically designed for resource-constrained devices. MixLinear effectively captures both temporal and frequency domain features by modeling intra-segment and inter-segment variations in the time domain and extracting frequency variations from a low-dimensional latent space in the frequency domain. By reducing the parameter scale of a downsampled n-length input/output one-layer linear model from O(n^2) to O(n), MixLinear achieves efficient computation without sacrificing accuracy. Extensive evaluations with four benchmark datasets show that MixLinear attains forecasting performance comparable to, or surpassing, state-of-the-art models with significantly fewer parameters (0.1K), which makes it well-suited for deployment on devices with limited computational capacity.

  • 3 authors
·
Oct 2, 2024

The Spectral Neuron

As machine learned models increase in complexity and expressive power, features of simpler models, such as intrinsic coefficient transparency and control over the shape of the modeled function are lost. On the one edge of the spectrum we have simple linear models that possess coefficient transparency, but have a limited expressive power. On the other edge we have neural networks, that have expressive power that improves with scaling, but are mostly opaque. In this work we develop the spectral neuron concept: a scalar model given by f(x)=λ_k (A_0 + A_1 x + ... + A_n x_n), with learned real symmetric matrices A_0, ..., A_n. The input enters the model through an affine matrix function, but the prediction is obtained by reading one of its eigenvalues. Thus, the model is nonlinear, but the source of nonlinearity is still mathematically explicit. This gives us a useful middle ground: the model can become more expressive as the matrix dimension grows, while retaining coefficient transparency through the learned matrices. For example, extremal eigenvalues yield convex or concave functions, semidefinite constraints on the coefficient matrices impose monotonicity, and the associated eigenspaces characterize local feature influence. We study coefficient transparency, feature-influence bounds, and shape-control properties of this model family, and then test whether it can be learned and scaled in practice. We develop a systematic study of this model family, bringing together spectral results from several mathematical literatures to characterize its expressivity, coefficient transparency, feature influence, and shape-control properties. Code available at https://github.com/alexshtf/spectral_neuron_paper.

  • 1 authors
·
Aug 15

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

Diverse Dictionary Learning

Given only observational data X = g(Z), where both the latent variables Z and the generating process g are unknown, recovering Z is ill-posed without additional assumptions. Existing methods often assume linearity or rely on auxiliary supervision and functional constraints. However, such assumptions are rarely verifiable in practice, and most theoretical guarantees break down under even mild violations, leaving uncertainty about how to reliably understand the hidden world. To make identifiability actionable in the real-world scenarios, we take a complementary view: in the general settings where full identifiability is unattainable, what can still be recovered with guarantees, and what biases could be universally adopted? We introduce the problem of diverse dictionary learning to formalize this view. Specifically, we show that intersections, complements, and symmetric differences of latent variables linked to arbitrary observations, along with the latent-to-observed dependency structure, are still identifiable up to appropriate indeterminacies even without strong assumptions. These set-theoretic results can be composed using set algebra to construct structured and essential views of the hidden world, such as genus-differentia definitions. When sufficient structural diversity is present, they further imply full identifiability of all latent variables. Notably, all identifiability benefits follow from a simple inductive bias during estimation that can be readily integrated into most models. We validate the theory and demonstrate the benefits of the bias on both synthetic and real-world data.

Bidirectional Learning for Offline Model-based Biological Sequence Design

Offline model-based optimization aims to maximize a black-box objective function with a static dataset of designs and their scores. In this paper, we focus on biological sequence design to maximize some sequence score. A recent approach employs bidirectional learning, combining a forward mapping for exploitation and a backward mapping for constraint, and it relies on the neural tangent kernel (NTK) of an infinitely wide network to build a proxy model. Though effective, the NTK cannot learn features because of its parametrization, and its use prevents the incorporation of powerful pre-trained Language Models (LMs) that can capture the rich biophysical information in millions of biological sequences. We adopt an alternative proxy model, adding a linear head to a pre-trained LM, and propose a linearization scheme. This yields a closed-form loss and also takes into account the biophysical information in the pre-trained LM. In addition, the forward mapping and the backward mapping play different roles and thus deserve different weights during sequence optimization. To achieve this, we train an auxiliary model and leverage its weak supervision signal via a bi-level optimization framework to effectively learn how to balance the two mappings. Further, by extending the framework, we develop the first learning rate adaptation module Adaptive-eta, which is compatible with all gradient-based algorithms for offline model-based optimization. Experimental results on DNA/protein sequence design tasks verify the effectiveness of our algorithm. Our code is available~https://anonymous.4open.science/r/BIB-ICLR2023-Submission/README.md{here.}

  • 4 authors
·
Jan 7, 2023

Debiasing Machine Learning Predictions for Causal Inference Without Additional Ground Truth Data: "One Map, Many Trials" in Satellite-Driven Poverty Analysis

Machine learning models trained on Earth observation data, such as satellite imagery, have demonstrated significant promise in predicting household-level wealth indices, enabling the creation of high-resolution wealth maps that can be leveraged across multiple causal trials. However, because standard training objectives prioritize overall predictive accuracy, these predictions inherently suffer from shrinkage toward the mean, leading to attenuated estimates of causal treatment effects and limiting their utility in policy. Existing debiasing methods, such as Prediction-Powered Inference, can handle this attenuation bias but require additional fresh ground-truth data at the downstream stage of causal inference, which restricts their applicability in data-scarce environments. Here, we introduce and evaluate two correction methods -- linear calibration correction and Tweedie's correction -- that substantially reduce prediction bias without relying on newly collected labeled data. Linear calibration corrects bias through a straightforward linear transformation derived from held-out calibration data, whereas Tweedie's correction leverages empirical Bayes principles to directly address shrinkage-induced biases by exploiting score functions derived from the model's learning patterns. Through analytical exercises and experiments using Demographic and Health Survey data, we demonstrate that the proposed methods meet or outperform existing approaches that either require (a) adjustments to training pipelines or (b) additional labeled data. These approaches may represent a promising avenue for improving the reliability of causal inference when direct outcome measures are limited or unavailable, enabling a "one map, many trials" paradigm where a single upstream data creation team produces predictions usable by many downstream teams across diverse ML pipelines.

Estimating Learnability in the Sublinear Data Regime

We consider the problem of estimating how well a model class is capable of fitting a distribution of labeled data. We show that it is often possible to accurately estimate this "learnability" even when given an amount of data that is too small to reliably learn any accurate model. Our first result applies to the setting where the data is drawn from a d-dimensional distribution with isotropic covariance (or known covariance), and the label of each datapoint is an arbitrary noisy function of the datapoint. In this setting, we show that with O(d) samples, one can accurately estimate the fraction of the variance of the label that can be explained via the best linear function of the data. In contrast to this sublinear sample size, finding an approximation of the best-fit linear function requires on the order of d samples. Our sublinear sample results and approach also extend to the non-isotropic setting, where the data distribution has an (unknown) arbitrary covariance matrix: we show that, if the label y of point x is a linear function with independent noise, y = langle x , βrangle + noise with |β| bounded, the variance of the noise can be estimated to error ε with O(d^{1-1/1/ε}) if the covariance matrix has bounded condition number, or O(d^{1-sqrtε}) if there are no bounds on the condition number. We also establish that these sample complexities are optimal, to constant factors. Finally, we extend these techniques to the setting of binary classification, where we obtain analogous sample complexities for the problem of estimating the prediction error of the best linear classifier, in a natural model of binary labeled data. We demonstrate the practical viability of our approaches on several real and synthetic datasets.

  • 2 authors
·
May 4, 2018

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

The Non-Linear Representation Dilemma: Is Causal Abstraction Enough for Mechanistic Interpretability?

The concept of causal abstraction got recently popularised to demystify the opaque decision-making processes of machine learning models; in short, a neural network can be abstracted as a higher-level algorithm if there exists a function which allows us to map between them. Notably, most interpretability papers implement these maps as linear functions, motivated by the linear representation hypothesis: the idea that features are encoded linearly in a model's representations. However, this linearity constraint is not required by the definition of causal abstraction. In this work, we critically examine the concept of causal abstraction by considering arbitrarily powerful alignment maps. In particular, we prove that under reasonable assumptions, any neural network can be mapped to any algorithm, rendering this unrestricted notion of causal abstraction trivial and uninformative. We complement these theoretical findings with empirical evidence, demonstrating that it is possible to perfectly map models to algorithms even when these models are incapable of solving the actual task; e.g., on an experiment using randomly initialised language models, our alignment maps reach 100% interchange-intervention accuracy on the indirect object identification task. This raises the non-linear representation dilemma: if we lift the linearity constraint imposed to alignment maps in causal abstraction analyses, we are left with no principled way to balance the inherent trade-off between these maps' complexity and accuracy. Together, these results suggest an answer to our title's question: causal abstraction is not enough for mechanistic interpretability, as it becomes vacuous without assumptions about how models encode information. Studying the connection between this information-encoding assumption and causal abstraction should lead to exciting future work.

  • 4 authors
·
Jul 11, 2025

LowFER: Low-rank Bilinear Pooling for Link Prediction

Knowledge graphs are incomplete by nature, with only a limited number of observed facts from the world knowledge being represented as structured relations between entities. To partly address this issue, an important task in statistical relational learning is that of link prediction or knowledge graph completion. Both linear and non-linear models have been proposed to solve the problem. Bilinear models, while expressive, are prone to overfitting and lead to quadratic growth of parameters in number of relations. Simpler models have become more standard, with certain constraints on bilinear map as relation parameters. In this work, we propose a factorized bilinear pooling model, commonly used in multi-modal learning, for better fusion of entities and relations, leading to an efficient and constraint-free model. We prove that our model is fully expressive, providing bounds on the embedding dimensionality and factorization rank. Our model naturally generalizes Tucker decomposition based TuckER model, which has been shown to generalize other models, as efficient low-rank approximation without substantially compromising the performance. Due to low-rank approximation, the model complexity can be controlled by the factorization rank, avoiding the possible cubic growth of TuckER. Empirically, we evaluate on real-world datasets, reaching on par or state-of-the-art performance. At extreme low-ranks, model preserves the performance while staying parameter efficient.

  • 4 authors
·
Aug 25, 2020

Mamba-3: Improved Sequence Modeling using State Space Principles

Scaling inference-time compute has emerged as an important driver of LLM performance, making inference efficiency a central focus of model design alongside model quality. While the current Transformer-based models deliver strong model quality, their quadratic compute and linear memory make inference expensive. This has spurred the development of sub-quadratic models with reduced linear compute and constant memory requirements. However, many recent linear models trade off model quality and capability for algorithmic efficiency, failing on tasks such as state tracking. Moreover, their theoretically linear inference remains hardware-inefficient in practice. Guided by an inference-first perspective, we introduce three core methodological improvements inspired by the state space model (SSM) viewpoint of linear models. We combine: (1) a more expressive recurrence derived from SSM discretization, (2) a complex-valued state update rule that enables richer state tracking, and (3) a multi-input, multi-output (MIMO) formulation for better model performance without increasing decode latency. Together with architectural refinements, our Mamba-3 model achieves significant gains across retrieval, state-tracking, and downstream language modeling tasks. At the 1.5B scale, Mamba-3 improves average downstream accuracy by 0.6 percentage points compared to the next best model (Gated DeltaNet), with Mamba-3's MIMO variant further improving accuracy by another 1.2 points for a total 1.8 point gain. Across state-size experiments, Mamba-3 achieves comparable perplexity to Mamba-2 despite using half of its predecessor's state size. Our evaluations demonstrate Mamba-3's ability to advance the performance-efficiency Pareto frontier.

  • 8 authors
·
Mar 16 1

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

Robust Weight Signatures: Gaining Robustness as Easy as Patching Weights?

Given a robust model trained to be resilient to one or multiple types of distribution shifts (e.g., natural image corruptions), how is that "robustness" encoded in the model weights, and how easily can it be disentangled and/or "zero-shot" transferred to some other models? This paper empirically suggests a surprisingly simple answer: linearly - by straightforward model weight arithmetic! We start by drawing several key observations: (1)assuming that we train the same model architecture on both a clean dataset and its corrupted version, resultant weights mostly differ in shallow layers; (2)the weight difference after projection, which we call "Robust Weight Signature" (RWS), appears to be discriminative and indicative of different corruption types; (3)for the same corruption type, the RWSs obtained by one model architecture are highly consistent and transferable across different datasets. We propose a minimalistic model robustness "patching" framework that carries a model trained on clean data together with its pre-extracted RWSs. In this way, injecting certain robustness to the model is reduced to directly adding the corresponding RWS to its weight. We verify our proposed framework to be remarkably (1)lightweight. since RWSs concentrate on the shallowest few layers and we further show they can be painlessly quantized, storing an RWS is up to 13 x more compact than storing the full weight copy; (2)in-situ adjustable. RWSs can be appended as needed and later taken off to restore the intact clean model. We further demonstrate one can linearly re-scale the RWS to control the patched robustness strength; (3)composable. Multiple RWSs can be added simultaneously to patch more comprehensive robustness at once; and (4)transferable. Even when the clean model backbone is continually adapted or updated, RWSs remain as effective patches due to their outstanding cross-dataset transferability.

  • 3 authors
·
Feb 24, 2023

What learning algorithm is in-context learning? Investigations with linear models

Neural sequence models, especially transformers, exhibit a remarkable capacity for in-context learning. They can construct new predictors from sequences of labeled examples (x, f(x)) presented in the input without further parameter updates. We investigate the hypothesis that transformer-based in-context learners implement standard learning algorithms implicitly, by encoding smaller models in their activations, and updating these implicit models as new examples appear in the context. Using linear regression as a prototypical problem, we offer three sources of evidence for this hypothesis. First, we prove by construction that transformers can implement learning algorithms for linear models based on gradient descent and closed-form ridge regression. Second, we show that trained in-context learners closely match the predictors computed by gradient descent, ridge regression, and exact least-squares regression, transitioning between different predictors as transformer depth and dataset noise vary, and converging to Bayesian estimators for large widths and depths. Third, we present preliminary evidence that in-context learners share algorithmic features with these predictors: learners' late layers non-linearly encode weight vectors and moment matrices. These results suggest that in-context learning is understandable in algorithmic terms, and that (at least in the linear case) learners may rediscover standard estimation algorithms. Code and reference implementations are released at https://github.com/ekinakyurek/google-research/blob/master/incontext.

  • 5 authors
·
Nov 28, 2022

Parallel-in-Time Training of Recurrent Neural Networks for Dynamical Systems Reconstruction

Reconstructing nonlinear dynamical systems (DS) from data (DSR) is a fundamental challenge in science and engineering, but it inherently relies on sequential models. Recent breakthroughs for sequential models have produced algorithms that parallelize computation along sequence length T, achieving logarithmic time complexity, O(log T). Since sequence lengths have been practically limited due to the linear runtime complexity O(T) of classical backpropagation through time, this opens new avenues for DSR. This paper studies two prominent classes of parallel-in-time algorithms for this task, both of which leverage parallel associative scans as their core computational primitive. The first class comprises models with linear yet non-autonomous dynamics and a nonlinear readout, such as modern State Space Models (SSMs), while the second consists of general nonlinear models which can be parallelized using the DEER framework. We find that the linear training-time recurrence of the first class of models imposes limitations that often hinder learning of accurate nonlinear dynamics. To address this, we augment DEER with Generalized Teacher Forcing (GTF), a novel variant within the more general nonlinear framework that ensures stable and effective learning of nonlinear dynamics across arbitrary sequence lengths. Using GTF-DEER, we investigate the benefits of training on extremely long sequences (T>10^4) for DSR. Our results show that access to such long trajectories significantly improves DSR if the data features long time scales. This work establishes GTF-DEER as a robust tool for data-driven discovery and underscores the largely untapped potential of long-sequence learning in modeling complex DS.

  • 3 authors
·
May 11

Revisiting Discriminative vs. Generative Classifiers: Theory and Implications

A large-scale deep model pre-trained on massive labeled or unlabeled data transfers well to downstream tasks. Linear evaluation freezes parameters in the pre-trained model and trains a linear classifier separately, which is efficient and attractive for transfer. However, little work has investigated the classifier in linear evaluation except for the default logistic regression. Inspired by the statistical efficiency of naive Bayes, the paper revisits the classical topic on discriminative vs. generative classifiers. Theoretically, the paper considers the surrogate loss instead of the zero-one loss in analyses and generalizes the classical results from binary cases to multiclass ones. We show that, under mild assumptions, multiclass naive Bayes requires O(log n) samples to approach its asymptotic error while the corresponding multiclass logistic regression requires O(n) samples, where n is the feature dimension. To establish it, we present a multiclass H-consistency bound framework and an explicit bound for logistic loss, which are of independent interests. Simulation results on a mixture of Gaussian validate our theoretical findings. Experiments on various pre-trained deep vision models show that naive Bayes consistently converges faster as the number of data increases. Besides, naive Bayes shows promise in few-shot cases and we observe the "two regimes" phenomenon in pre-trained supervised models. Our code is available at https://github.com/ML-GSAI/Revisiting-Dis-vs-Gen-Classifiers.

  • 6 authors
·
Feb 5, 2023

Refined Regret for Adversarial MDPs with Linear Function Approximation

We consider learning in an adversarial Markov Decision Process (MDP) where the loss functions can change arbitrarily over K episodes and the state space can be arbitrarily large. We assume that the Q-function of any policy is linear in some known features, that is, a linear function approximation exists. The best existing regret upper bound for this setting (Luo et al., 2021) is of order mathcal O(K^{2/3}) (omitting all other dependencies), given access to a simulator. This paper provides two algorithms that improve the regret to mathcal O(sqrt K) in the same setting. Our first algorithm makes use of a refined analysis of the Follow-the-Regularized-Leader (FTRL) algorithm with the log-barrier regularizer. This analysis allows the loss estimators to be arbitrarily negative and might be of independent interest. Our second algorithm develops a magnitude-reduced loss estimator, further removing the polynomial dependency on the number of actions in the first algorithm and leading to the optimal regret bound (up to logarithmic terms and dependency on the horizon). Moreover, we also extend the first algorithm to simulator-free linear MDPs, which achieves mathcal O(K^{8/9}) regret and greatly improves over the best existing bound mathcal O(K^{14/15}). This algorithm relies on a better alternative to the Matrix Geometric Resampling procedure by Neu & Olkhovskaya (2020), which could again be of independent interest.

  • 4 authors
·
Jan 30, 2023

Identifying Representations for Intervention Extrapolation

The premise of identifiable and causal representation learning is to improve the current representation learning paradigm in terms of generalizability or robustness. Despite recent progress in questions of identifiability, more theoretical results demonstrating concrete advantages of these methods for downstream tasks are needed. In this paper, we consider the task of intervention extrapolation: predicting how interventions affect an outcome, even when those interventions are not observed at training time, and show that identifiable representations can provide an effective solution to this task even if the interventions affect the outcome non-linearly. Our setup includes an outcome Y, observed features X, which are generated as a non-linear transformation of latent features Z, and exogenous action variables A, which influence Z. The objective of intervention extrapolation is to predict how interventions on A that lie outside the training support of A affect Y. Here, extrapolation becomes possible if the effect of A on Z is linear and the residual when regressing Z on A has full support. As Z is latent, we combine the task of intervention extrapolation with identifiable representation learning, which we call Rep4Ex: we aim to map the observed features X into a subspace that allows for non-linear extrapolation in A. We show that the hidden representation is identifiable up to an affine transformation in Z-space, which is sufficient for intervention extrapolation. The identifiability is characterized by a novel constraint describing the linearity assumption of A on Z. Based on this insight, we propose a method that enforces the linear invariance constraint and can be combined with any type of autoencoder. We validate our theoretical findings through synthetic experiments and show that our approach succeeds in predicting the effects of unseen interventions.

  • 5 authors
·
Oct 6, 2023

Are Transformers Effective for Time Series Forecasting?

Recently, there has been a surge of Transformer-based solutions for the long-term time series forecasting (LTSF) task. Despite the growing performance over the past few years, we question the validity of this line of research in this work. Specifically, Transformers is arguably the most successful solution to extract the semantic correlations among the elements in a long sequence. However, in time series modeling, we are to extract the temporal relations in an ordered set of continuous points. While employing positional encoding and using tokens to embed sub-series in Transformers facilitate preserving some ordering information, the nature of the permutation-invariant self-attention mechanism inevitably results in temporal information loss. To validate our claim, we introduce a set of embarrassingly simple one-layer linear models named LTSF-Linear for comparison. Experimental results on nine real-life datasets show that LTSF-Linear surprisingly outperforms existing sophisticated Transformer-based LTSF models in all cases, and often by a large margin. Moreover, we conduct comprehensive empirical studies to explore the impacts of various design elements of LTSF models on their temporal relation extraction capability. We hope this surprising finding opens up new research directions for the LTSF task. We also advocate revisiting the validity of Transformer-based solutions for other time series analysis tasks (e.g., anomaly detection) in the future. Code is available at: https://github.com/cure-lab/LTSF-Linear.

  • 4 authors
·
May 26, 2022

Linear Bandits beyond Inner Product Spaces, the case of Bandit Optimal Transport

Linear bandits have long been a central topic in online learning, with applications ranging from recommendation systems to adaptive clinical trials. Their general learnability has been established when the objective is to minimise the inner product between a cost parameter and the decision variable. While this is highly general, this reliance on an inner product structure belies the name of linear bandits, and fails to account for problems such as Optimal Transport. Using the Kantorovich formulation of Optimal Transport as an example, we show that an inner product structure is not necessary to achieve efficient learning in linear bandits. We propose a refinement of the classical OFUL algorithm that operates by embedding the action set into a Hilbertian subspace, where confidence sets can be built via least-squares estimation. Actions are then constrained to this subspace by penalising optimism. The analysis is completed by leveraging convergence results from penalised (entropic) transport to the Kantorovich problem. Up to this approximation term, the resulting algorithm achieves the same trajectorial regret upper bounds as the OFUL algorithm, which we turn into worst-case regret using functional regression techniques. Its regret interpolates between mathcal O(T) and {mathcal O}(T), depending on the regularity of the cost function, and recovers the parametric rate mathcal O(dT) in finite-dimensional settings.

  • 1 authors
·
Feb 16

Parallelizing Linear Transformers with the Delta Rule over Sequence Length

Transformers with linear attention (i.e., linear transformers) and state-space models have recently been suggested as a viable linear-time alternative to transformers with softmax attention. However, these models still underperform transformers especially on tasks that require in-context retrieval. While more expressive variants of linear transformers which replace the additive outer-product update in linear transformers with the delta rule have been found to be more effective at associative recall, existing algorithms for training such models do not parallelize over sequence length and are thus inefficient to train on modern hardware. This work describes a hardware-efficient algorithm for training linear transformers with the delta rule, which exploits a memory-efficient representation for computing products of Householder matrices. This algorithm allows us to scale up DeltaNet to standard language modeling settings. We train a 1.3B model for 100B tokens and find that it outperforms recent linear-time baselines such as Mamba and GLA in terms of perplexity and zero-shot performance on downstream tasks (including on tasks that focus on recall). We also experiment with two hybrid models which combine DeltaNet layers with (1) sliding-window attention layers every other layer or (2) two global attention layers, and find that these hybrid models outperform strong transformer baselines.

  • 5 authors
·
Jun 10, 2024 2

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

How Good Can Linear Models Be for Time-Series Forecasting?

Time-series forecasting research has been moving steadily toward larger architectures, from specialized transformers to general-purpose foundation models, on the assumption that capacity is what unlocks accuracy. We take the opposite position: most of the gap can be closed at far lower cost by tuning preprocessing rather than scaling models. We use Ridge regression as the testbed, since it has a closed-form solution and interpretable weights, which let the optimal hyperparameters be read off the search directly. We search over context length, local normalization, regularization, and augmentation on eight standard benchmarks and find three patterns. (1) Optimal lookback is strongly series-specific and often non-monotonic in forecast horizon, with fitted power-law exponents ranging from +0.46 on ETTm2 to -0.19 on Exchange and Traffic, challenging the convention that longer horizons need longer history. (2) Normalizing over a learned trailing fraction of the context, rather than its entirety, is almost universally preferred. (3) Series within the same dataset often disagree on hyperparameters; the optimal degree of cross-series sharing varies from fully shared to fully per-series. The resulting models beat prior linear forecasters on most dataset-horizon entries and exceed Transformer, MLP, and CNN baselines on six of eight benchmarks. The optimized hyperparameters also serve as a diagnostic on the data itself, revealing structures that larger models absorb silently into their learned parameters.

SakanaAI Sakana AI
·
Jun 24 3

Leslie Population Models in Predator-prey and Competitive populations: theory and applications by machine learning

We introduce a new predator-prey model by replacing the growth and predation constant by a square matrix, and the population density as a population vector. The classical Lotka-Volterra model describes a population that either modulates or converges. Stability analysis of such models have been extensively studied by the works of Merdan (https://doi.org/10.1016/j.chaos.2007.06.062). The new model adds complexity by introducing an age group structure where the population of each age group evolves as prescribed by the Leslie matrix. The added complexity changes the behavior of the model such that the population either displays roughly an exponential growth or decay. We first provide an exact equation that describes a time evolution and use analytic techniques to obtain an approximate growth factor. We also discuss the variants of the Leslie model, i.e., the complex value predator-prey model and the competitive model. We then prove the Last Species Standing theorem that determines the dominant population in the large time limit. The recursive structure of the model denies the application of simple regression. We discuss a machine learning scheme that allows an admissible fit for the population evolution of Paramecium Aurelia and Paramecium Caudatum. Another potential avenue to simplify the computation is to use the machinery of quantum operators. We demonstrate the potential of this approach by computing the Hamiltonian of a simple Leslie system.

  • 5 authors
·
Dec 20, 2024

Interpretable structural model error discovery from sparse assimilation increments using spectral bias-reduced neural networks: A quasi-geostrophic turbulence test case

Earth system models suffer from various structural and parametric errors in their representation of nonlinear, multi-scale processes, leading to uncertainties in their long-term projections. The effects of many of these errors (particularly those due to fast physics) can be quantified in short-term simulations, e.g., as differences between the predicted and observed states (analysis increments). With the increase in the availability of high-quality observations and simulations, learning nudging from these increments to correct model errors has become an active research area. However, most studies focus on using neural networks, which while powerful, are hard to interpret, are data-hungry, and poorly generalize out-of-distribution. Here, we show the capabilities of Model Error Discovery with Interpretability and Data Assimilation (MEDIDA), a general, data-efficient framework that uses sparsity-promoting equation-discovery techniques to learn model errors from analysis increments. Using two-layer quasi-geostrophic turbulence as the test case, MEDIDA is shown to successfully discover various linear and nonlinear structural/parametric errors when full observations are available. Discovery from spatially sparse observations is found to require highly accurate interpolation schemes. While NNs have shown success as interpolators in recent studies, here, they are found inadequate due to their inability to accurately represent small scales, a phenomenon known as spectral bias. We show that a general remedy, adding a random Fourier feature layer to the NN, resolves this issue enabling MEDIDA to successfully discover model errors from sparse observations. These promising results suggest that with further development, MEDIDA could be scaled up to models of the Earth system and real observations.

  • 3 authors
·
Sep 22, 2023

Learning on Model Weights using Tree Experts

The number of publicly available models is rapidly increasing, yet most remain undocumented. Users looking for suitable models for their tasks must first determine what each model does. Training machine learning models to infer missing documentation directly from model weights is challenging, as these weights often contain significant variation unrelated to model functionality (denoted nuisance). Here, we identify a key property of real-world models: most public models belong to a small set of Model Trees, where all models within a tree are fine-tuned from a common ancestor (e.g., a foundation model). Importantly, we find that within each tree there is less nuisance variation between models. Concretely, while learning across Model Trees requires complex architectures, even a linear classifier trained on a single model layer often works within trees. While effective, these linear classifiers are computationally expensive, especially when dealing with larger models that have many parameters. To address this, we introduce Probing Experts (ProbeX), a theoretically motivated and lightweight method. Notably, ProbeX is the first probing method specifically designed to learn from the weights of a single hidden model layer. We demonstrate the effectiveness of ProbeX by predicting the categories in a model's training dataset based only on its weights. Excitingly, ProbeX can map the weights of Stable Diffusion into a weight-language embedding space, enabling model search via text, i.e., zero-shot model classification.

  • 4 authors
·
Oct 17, 2024

Linear Causal Representation Learning by Topological Ordering, Pruning, and Disentanglement

Causal representation learning (CRL) has garnered increasing interest from the causal inference and artificial intelligence communities due to its potential to disentangle complex data-generating mechanism into causally interpretable latent features by leveraging the heterogeneity of modern datasets. In this paper, we further contribute to the CRL literature, by focusing on the stylized linear structural causal model over latent features and assuming a linear mixing function that maps latent features to the observed data or measurements. Existing linear CRL methods often rely on stringent assumptions, such as access to single-node interventional data or restrictive distributional constraints on latent features and/or exogenous measurement noise. However, these prerequisites can be easy to violate in practice. In this work, we propose a novel linear CRL algorithm that, unlike existing methods, operates under weaker assumptions on environment heterogeneity and data-generating distributions while still recovering latent causal features up to an equivalence class. We further validate our new algorithm via synthetic experiments and an interpretability analysis of large language models, demonstrating both its superiority over competing methods in finite samples and its potential in integrating causality into understanding artificial intelligence. The source code is available at https://github.com/utulie/code_for_linear_crl_paper_creator.

  • 3 authors
·
May 26

Landscaping Linear Mode Connectivity

The presence of linear paths in parameter space between two different network solutions in certain cases, i.e., linear mode connectivity (LMC), has garnered interest from both theoretical and practical fronts. There has been significant research that either practically designs algorithms catered for connecting networks by adjusting for the permutation symmetries as well as some others that more theoretically construct paths through which networks can be connected. Yet, the core reasons for the occurrence of LMC, when in fact it does occur, in the highly non-convex loss landscapes of neural networks are far from clear. In this work, we take a step towards understanding it by providing a model of how the loss landscape needs to behave topographically for LMC (or the lack thereof) to manifest. Concretely, we present a `mountainside and ridge' perspective that helps to neatly tie together different geometric features that can be spotted in the loss landscape along the training runs. We also complement this perspective by providing a theoretical analysis of the barrier height, for which we provide empirical support, and which additionally extends as a faithful predictor of layer-wise LMC. We close with a toy example that provides further intuition on how barriers arise in the first place, all in all, showcasing the larger aim of the work -- to provide a working model of the landscape and its topography for the occurrence of LMC.

  • 6 authors
·
Jun 23, 2024

Optimal Unconstrained Self-Distillation in Ridge Regression: Strict Improvements, Precise Asymptotics, and One-Shot Tuning

Self-distillation (SD) is the process of retraining a student on a mixture of ground-truth labels and the teacher's own predictions using the same architecture and training data. Although SD has been empirically shown to often improve generalization, its formal guarantees remain limited. We study SD for ridge regression in unconstrained setting in which the mixing weight ξ may be outside the unit interval. Conditioned on the training data and without any distributional assumptions, we prove that for any squared prediction risk (including out-of-distribution), the optimally mixed student strictly improves upon the ridge teacher for every regularization level λ> 0 at which the teacher ridge risk R(λ) is nonstationary (i.e., R'(λ) neq 0). We obtain a closed-form expression for the optimal mixing weight ξ^star(λ) for any value of λ and show that it obeys the sign rule: sign(ξ^star(λ))=-sign(R'(λ)). In particular, ξ^star(λ) can be negative, which is the case in over-regularized regimes. To quantify the risk improvement due to SD, we derive exact deterministic equivalents for the optimal SD risk in the proportional asymptotics regime (where the sample and feature sizes n and p both diverge but their aspect ratio p/n converges) under general anisotropic covariance and deterministic signals. Our asymptotic analysis extends standard second-order ridge deterministic equivalents to their fourth-order analogs using block linearization, which may be of independent interest. From a practical standpoint, we propose a consistent one-shot tuning method to estimate ξ^star without grid search, sample splitting, or refitting. Experiments on real-world datasets and pretrained neural network features support our theory and the one-shot tuning method.

  • 3 authors
·
Feb 18

Is Mamba Effective for Time Series Forecasting?

In the realm of time series forecasting (TSF), it is imperative for models to adeptly discern and distill hidden patterns within historical time series data to forecast future states. Transformer-based models exhibit formidable efficacy in TSF, primarily attributed to their advantage in apprehending these patterns. However, the quadratic complexity of the Transformer leads to low computational efficiency and high costs, which somewhat hinders the deployment of the TSF model in real-world scenarios. Recently, Mamba, a selective state space model, has gained traction due to its ability to process dependencies in sequences while maintaining near-linear complexity. For TSF tasks, these characteristics enable Mamba to comprehend hidden patterns as the Transformer and reduce computational overhead compared to the Transformer. Therefore, we propose a Mamba-based model named Simple-Mamba (S-Mamba) for TSF. Specifically, we tokenize the time points of each variate autonomously via a linear layer. A bidirectional Mamba layer is utilized to extract inter-variate correlations and a Feed-Forward Network is set to learn temporal dependencies. Finally, the generation of forecast outcomes through a linear mapping layer. Experiments on thirteen public datasets prove that S-Mamba maintains low computational overhead and achieves leading performance. Furthermore, we conduct extensive experiments to explore Mamba's potential in TSF tasks. Our code is available at https://github.com/wzhwzhwzh0921/S-D-Mamba.

  • 8 authors
·
Mar 17, 2024

MoM: Linear Sequence Modeling with Mixture-of-Memories

Linear sequence modeling methods, such as linear attention, state space modeling, and linear RNNs, offer significant efficiency improvements by reducing the complexity of training and inference. However, these methods typically compress the entire input sequence into a single fixed-size memory state, which leads to suboptimal performance on recall-intensive downstream tasks. Drawing inspiration from neuroscience, particularly the brain's ability to maintain robust long-term memory while mitigating "memory interference", we introduce a novel architecture called Mixture-of-Memories (MoM). MoM utilizes multiple independent memory states, with a router network directing input tokens to specific memory states. This approach greatly enhances the overall memory capacity while minimizing memory interference. As a result, MoM performs exceptionally well on recall-intensive tasks, surpassing existing linear sequence modeling techniques. Despite incorporating multiple memory states, the computation of each memory state remains linear in complexity, allowing MoM to retain the linear-complexity advantage during training, while constant-complexity during inference. Our experimental results show that MoM significantly outperforms current linear sequence models on downstream language tasks, particularly recall-intensive tasks, and even achieves performance comparable to Transformer models. The code is released at https://github.com/OpenSparseLLMs/MoM and is also released as a part of https://github.com/OpenSparseLLMs/Linear-MoE.

  • 5 authors
·
Feb 19, 2025 2