Daily Papers

This study proposes a behaviorally-informed multi-factor stock selection framework that integrates short-cycle technical alpha signals with deep learning. We design a dual-task multilayer perceptron (MLP) that jointly predicts five-day future returns and directional price movements, thereby capturing nonlinear market behaviors such as volume-price divergence, momentum-driven herding, and bottom reversals. The model is trained on 40 carefully constructed factors derived from price-volume patterns and behavioral finance insights. Empirical evaluation demonstrates that the dual-task MLP achieves superior and stable performance across both predictive accuracy and economic relevance, as measured by information coefficient (IC), information ratio (IR), and portfolio backtesting results. Comparative experiments further show that deep learning methods outperform linear baselines by effectively capturing structural interactions between factors. This work highlights the potential of structure-aware deep learning in enhancing multi-factor modeling and provides a practical framework for short-horizon quantitative investment strategies.

Tucker decomposition is a powerful tensor model to handle multi-aspect data. It demonstrates the low-rank property by decomposing the grid-structured data as interactions between a core tensor and a set of object representations (factors). A fundamental assumption of such decomposition is that there are finite objects in each aspect or mode, corresponding to discrete indexes of data entries. However, real-world data is often not naturally posed in this setting. For example, geographic data is represented as continuous indexes of latitude and longitude coordinates, and cannot fit tensor models directly. To generalize Tucker decomposition to such scenarios, we propose Functional Bayesian Tucker Decomposition (FunBaT). We treat the continuous-indexed data as the interaction between the Tucker core and a group of latent functions. We use Gaussian processes (GP) as functional priors to model the latent functions. Then, we convert each GP into a state-space prior by constructing an equivalent stochastic differential equation (SDE) to reduce computational cost. An efficient inference algorithm is developed for scalable posterior approximation based on advanced message-passing techniques. The advantage of our method is shown in both synthetic data and several real-world applications. We release the code of FunBaT at https://github.com/xuangu-fang/Functional-Bayesian-Tucker-Decomposition.

Many production processes are characterized by numerous and complex cause-and-effect relationships. Since they are only partially known they pose a challenge to effective process control. In this work we present how Structural Equation Models can be used for deriving cause-and-effect relationships from the combination of prior knowledge and process data in the manufacturing domain. Compared to existing applications, we do not assume linear relationships leading to more informative results.

Networks provide a powerful formalism for modeling complex systems by using a model of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to person, collaboration among a team rather than a pair of coauthors, or biological interaction between a set of molecules rather than just two. Such higher-order interactions are ubiquitous, but their empirical study has received limited attention, and little is known about possible organizational principles of such structures. Here we study the temporal evolution of 19 datasets with explicit accounting for higher-order interactions. We show that there is a rich variety of structure in our datasets but datasets from the same system types have consistent patterns of higher-order structure. Furthermore, we find that tie strength and edge density are competing positive indicators of higher-order organization, and these trends are consistent across interactions involving differing numbers of nodes. To systematically further the study of theories for such higher-order structures, we propose higher-order link prediction as a benchmark problem to assess models and algorithms that predict higher-order structure. We find a fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.

We develop a tractable identification approach for strategic network formation models with both strategic link interdependence and individual unobserved heterogeneity (fixed effects). The key challenge is that endogenous network statistics (e.g. number of common friends) enter the link formation equation, while the mapping from model primitives to equilibrium network structure is generally intractable. Our approach sidesteps this difficulty using a ``bounding-by-c'' technique that treats endogenous covariates as random variables and exploits monotonicity restrictions to obtain identifying information. A central contribution is to develop a spectrum of fixed-effects handling strategies based on subnetwork configurations: tetrad-based restrictions that difference out all individual fixed effects, triad-based and weighted restrictions that combine ``difference-out'' and ``integrate-out'' steps by differencing out some fixed effects and profiling over the remainder conditional on observed characteristics, and general weighted cycle-based restrictions that unify these cases. We also provide point identification results. Preliminary simulations show that the approach can deliver informative bounds on the structural parameters.

Link prediction, a fundamental task on graphs, has proven indispensable in various applications, e.g., friend recommendation, protein analysis, and drug interaction prediction. However, since datasets span a multitude of domains, they could have distinct underlying mechanisms of link formation. Evidence in existing literature underscores the absence of a universally best algorithm suitable for all datasets. In this paper, we endeavor to explore principles of link prediction across diverse datasets from a data-centric perspective. We recognize three fundamental factors critical to link prediction: local structural proximity, global structural proximity, and feature proximity. We then unearth relationships among those factors where (i) global structural proximity only shows effectiveness when local structural proximity is deficient. (ii) The incompatibility can be found between feature and structural proximity. Such incompatibility leads to GNNs for Link Prediction (GNN4LP) consistently underperforming on edges where the feature proximity factor dominates. Inspired by these new insights from a data perspective, we offer practical instruction for GNN4LP model design and guidelines for selecting appropriate benchmark datasets for more comprehensive evaluations.

Heterogeneity and comorbidity are two interwoven challenges associated with various healthcare problems that greatly hampered research on developing effective treatment and understanding of the underlying neurobiological mechanism. Very few studies have been conducted to investigate heterogeneous causal effects (HCEs) in graphical contexts due to the lack of statistical methods. To characterize this heterogeneity, we first conceptualize heterogeneous causal graphs (HCGs) by generalizing the causal graphical model with confounder-based interactions and multiple mediators. Such confounders with an interaction with the treatment are known as moderators. This allows us to flexibly produce HCGs given different moderators and explicitly characterize HCEs from the treatment or potential mediators on the outcome. We establish the theoretical forms of HCEs and derive their properties at the individual level in both linear and nonlinear models. An interactive structural learning is developed to estimate the complex HCGs and HCEs with confidence intervals provided. Our method is empirically justified by extensive simulations and its practical usefulness is illustrated by exploring causality among psychiatric disorders for trauma survivors.

Researchers are usually interested in examining the impact of covariates when separating heterogeneous samples into latent classes that are more homogeneous. The majority of theoretical and empirical studies with such aims have focused on identifying covariates as predictors of class membership in the structural equation modeling framework. In other words, the covariates only indirectly affect the sample heterogeneity. However, the covariates' influence on between-individual differences can also be direct. This article presents a mixture model that investigates covariates to explain within-cluster and between-cluster heterogeneity simultaneously, known as a mixture-of-experts (MoE) model. This study aims to extend the MoE framework to investigate heterogeneity in nonlinear trajectories: to identify latent classes, covariates as predictors to clusters, and covariates that explain within-cluster differences in change patterns over time. Our simulation studies demonstrate that the proposed model generally estimates the parameters unbiasedly, precisely and exhibits appropriate empirical coverage for a nominal 95% confidence interval. This study also proposes implementing structural equation model forests to shrink the covariate space of the proposed mixture model. We illustrate how to select covariates and construct the proposed model with longitudinal mathematics achievement data. Additionally, we demonstrate that the proposed mixture model can be further extended in the structural equation modeling framework by allowing the covariates that have direct effects to be time-varying.

Interactions among features are central to understanding the behavior of machine learning models. Recent research has made significant strides in detecting and quantifying feature interactions in single predictive models. However, we argue that the feature interactions extracted from a single pre-specified model may not be trustworthy since: a well-trained predictive model may not preserve the true feature interactions and there exist multiple well-performing predictive models that differ in feature interaction strengths. Thus, we recommend exploring feature interaction strengths in a model class of approximately equally accurate predictive models. In this work, we introduce the feature interaction score (FIS) in the context of a Rashomon set, representing a collection of models that achieve similar accuracy on a given task. We propose a general and practical algorithm to calculate the FIS in the model class. We demonstrate the properties of the FIS via synthetic data and draw connections to other areas of statistics. Additionally, we introduce a Halo plot for visualizing the feature interaction variance in high-dimensional space and a swarm plot for analyzing FIS in a Rashomon set. Experiments with recidivism prediction and image classification illustrate how feature interactions can vary dramatically in importance for similarly accurate predictive models. Our results suggest that the proposed FIS can provide valuable insights into the nature of feature interactions in machine learning models.

Causal representation learning seeks to extract high-level latent factors from low-level sensory data. Most existing methods rely on observational data and structural assumptions (e.g., conditional independence) to identify the latent factors. However, interventional data is prevalent across applications. Can interventional data facilitate causal representation learning? We explore this question in this paper. The key observation is that interventional data often carries geometric signatures of the latent factors' support (i.e. what values each latent can possibly take). For example, when the latent factors are causally connected, interventions can break the dependency between the intervened latents' support and their ancestors'. Leveraging this fact, we prove that the latent causal factors can be identified up to permutation and scaling given data from perfect do interventions. Moreover, we can achieve block affine identification, namely the estimated latent factors are only entangled with a few other latents if we have access to data from imperfect interventions. These results highlight the unique power of interventional data in causal representation learning; they can enable provable identification of latent factors without any assumptions about their distributions or dependency structure.

Human-factor analysis typically employs correlation analysis and significance testing to identify relationships between variables. However, these descriptive ('what-is') methods, while effective for identifying associations, are often insufficient for answering causal ('what-if') questions. Their application in such contexts often overlooks confounding and colliding variables, potentially leading to bias and suboptimal or incorrect decisions. We advocate for explicitly distinguishing descriptive from interventional questions in human-factor analysis, and applying causal inference frameworks specifically to these problems to prevent methodological mismatches. This approach disentangles complex variable relationships and enables counterfactual reasoning. Using post-occupancy evaluation (POE) data from the Center for the Built Environment's (CBE) Occupant Survey as a demonstration case, we show how causal discovery reveals intervention hierarchies and directional relationships that traditional associational analysis misses. The systematic distinction between causally associated and independent variables, combined with intervention prioritization capabilities, offers broad applicability to complex human-centric systems, for example, in building science or ergonomics, where understanding intervention effects is critical for optimization and decision-making.

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.

Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.

Many studies on scaling laws consider basic factors such as model size, model shape, dataset size, and compute power. These factors are easily tunable and represent the fundamental elements of any machine learning setup. But researchers have also employed more complex factors to estimate the test error and generalization performance with high predictability. These factors are generally specific to the domain or application. For example, feature diversity was primarily used for promoting syn-to-real transfer by Chen et al. (2021). With numerous scaling factors defined in previous works, it would be interesting to investigate how these factors may affect overall generalization performance in the context of self-supervised learning with CNN models. How do individual factors promote generalization, which includes varying depth, width, or the number of training epochs with early stopping? For example, does higher feature diversity result in higher accuracy held in complex settings other than a syn-to-real transfer? How do these factors depend on each other? We found that the last layer is the most diversified throughout the training. However, while the model's test error decreases with increasing epochs, its diversity drops. We also discovered that diversity is directly related to model width.

Being able to provide explanations for a model's decision has become a central requirement for the development, deployment, and adoption of machine learning models. However, we are yet to understand what explanation methods can and cannot do. How do upstream factors such as data, model prediction, hyperparameters, and random initialization influence downstream explanations? While previous work raised concerns that explanations (E) may have little relationship with the prediction (Y), there is a lack of conclusive study to quantify this relationship. Our work borrows tools from causal inference to systematically assay this relationship. More specifically, we study the relationship between E and Y by measuring the treatment effect when intervening on their causal ancestors, i.e., on hyperparameters and inputs used to generate saliency-based Es or Ys. Our results suggest that the relationships between E and Y is far from ideal. In fact, the gap between 'ideal' case only increase in higher-performing models -- models that are likely to be deployed. Our work is a promising first step towards providing a quantitative measure of the relationship between E and Y, which could also inform the future development of methods for E with a quantitative metric.

Mathematical researchers, especially those in early-career positions, face critical decisions about topic specialization with limited information about the collaborative environments of different research areas. The aim of this paper is to study how the popularity of a research topic is associated with the structure of that topic's collaboration network, as observed by a suite of measures capturing organizational structure at several scales. We apply these measures to 1,938 algorithmically discovered topics across 121,391 papers sourced from arXiv metadata during the period 2020--2025. Our analysis, which controls for the confounding effects of network size, reveals a structural dichotomy--we find that popular topics organize into modular "schools of thought," while niche topics maintain hierarchical core-periphery structures centered around established experts. This divide is not an artifact of scale, but represents a size-independent structural pattern correlated with popularity. We also document a "constraint reversal": after controlling for size, researchers in popular fields face greater structural constraints on collaboration opportunities, contrary to conventional expectations. Our findings suggest that topic selection is an implicit choice between two fundamentally different collaborative environments, each with distinct implications for a researcher's career. To make these structural patterns transparent to the research community, we developed the Math Research Compass (https://mathresearchcompass.com), an interactive platform providing data on topic popularity and collaboration patterns across mathematical topics.

Coopetition refers to simultaneous cooperation and competition among actors wherein actors 'cooperate to grow the pie and compete to split it up.' Modern socio-technical systems are characterized by strategic coopetition wherein actors concomitantly cooperate to create value and compete to capture it. While conceptual modeling languages such as i* provide rich qualitative representations of strategic dependencies, they lack mechanisms for quantitative analysis of dynamic trade-offs. Conversely, classical game theory offers mathematical rigor but strips away contextual richness. This report bridges this gap by developing computational foundations that formalize two critical dimensions of coopetition: interdependence and complementarity. We ground interdependence in i* structural dependency analysis, translating depender-dependee-dependum relationships into quantitative interdependence coefficients via a structured translation framework. We formalize complementarity following Brandenburger and Nalebuff's Added Value concept, modeling synergistic value creation with validated parameterization. We integrate structural dependencies with bargaining power in value appropriation and introduce a game-theoretic formulation where Nash Equilibrium incorporates structural interdependence. Validation combines over 22,000 experimental trials across power and logarithmic specifications with the Samsung-Sony S-LCD joint venture (2004-2011). Under strict historical alignment scoring, logarithmic specifications achieve 58/60 compared to power functions (46/60), producing realistic 41% cooperation increases aligning with documented S-LCD patterns while power functions produce 166% increases exceeding realistic bounds. Statistical significance confirmed at p < 0.001, Cohen's d > 9.

Structural Causal Models (SCM) are a powerful framework for describing complicated dynamics across the natural sciences. A particularly elegant way of interpreting SCMs is do-Shapley, a game-theoretic method of quantifying the average effect of d variables across exponentially many interventions. Like Shapley values, computing do-Shapley values generally requires evaluating exponentially many terms. The foundation of our work is a reformulation of do-Shapley values in terms of the irreducible sets of the underlying SCM. Leveraging this insight, we can exactly compute do-Shapley values in time linear in the number of irreducible sets r, which itself can range from d to 2^d depending on the graph structure of the SCM. Since r is unknown a priori, we complement the exact algorithm with an estimator that, like general Shapley value estimators, can be run with any query budget. As the query budget approaches r, our estimators can produce more accurate estimates than prior methods by several orders of magnitude, and, when the budget reaches r, return the Shapley values up to machine precision. Beyond computational speed, we also reduce the identification burden: we prove that non-parametric identifiability of do-Shapley values requires only the identification of interventional effects for the d singleton coalitions, rather than all classes.

The intricate dynamics of stock markets have led to extensive research on models that are able to effectively explain their inherent complexities. This study leverages the econometrics literature to explore the dynamic factor model as an interpretable model with sufficient predictive capabilities for capturing essential market phenomena. Although the model has been extensively applied for predictive purposes, this study focuses on analyzing the extracted loadings and common factors as an alternative framework for understanding stock price dynamics. The results reveal novel insights into traditional market theories when applied to the Philippine Stock Exchange using the Kalman method and maximum likelihood estimation, with subsequent validation against the capital asset pricing model. Notably, a one-factor model extracts a common factor representing systematic or market dynamics similar to the composite index, whereas a two-factor model extracts common factors representing market trends and volatility. Furthermore, an application of the model for nowcasting the growth rates of the Philippine gross domestic product highlights the potential of the extracted common factors as viable real-time market indicators, yielding over a 34% decrease in the out-of-sample prediction error. Overall, the results underscore the value of dynamic factor analysis in gaining a deeper understanding of market price movement dynamics.

Language is an intricately structured system, and a key goal of NLP interpretability is to provide methodological insights for understanding how language models represent this structure internally. In this paper, we use Shapley Taylor interaction indices (STII) in order to examine how language and speech models internally relate and structure their inputs. Pairwise Shapley interactions measure how much two inputs work together to influence model outputs beyond if we linearly added their independent influences, providing a view into how models encode structural interactions between inputs. We relate the interaction patterns in models to three underlying linguistic structures: syntactic structure, non-compositional semantics, and phonetic coarticulation. We find that autoregressive text models encode interactions that correlate with the syntactic proximity of inputs, and that both autoregressive and masked models encode nonlinear interactions in idiomatic phrases with non-compositional semantics. Our speech results show that inputs are more entangled for pairs where a neighboring consonant is likely to influence a vowel or approximant, showing that models encode the phonetic interaction needed for extracting discrete phonemic representations.

Systemic financial risk refers to the simultaneous failure or destabilization of multiple financial institutions, often triggered by contagion mechanisms or common exposures to shocks. In this paper, we present a dynamical model of bank leverage (the ratio of asset holdings to equity) a quantity that both reflects and drives risk dynamics. We model how banks, constrained by Value-at-Risk (VaR) regulations, adjust their leverage in response to changes in the price of a single asset, assumed to be held in fixed proportion across banks. This leverage-targeting behavior introduces a procyclical feedback loop between asset prices and leverage. In the dynamics, this can manifest as logistic-like behavior with a rich bifurcation structure across model parameters. By analyzing these coupled dynamics in both isolated and interconnected bank models, we outline a framework for understanding how systemic risk can emerge from seemingly rational micro-level behavior.

Causal discovery, the process of recovering underlying causal structures from observational data, is a fundamental pursuit across scientific disciplines. Over the past decades, numerous algorithms have been developed to tackle this challenge through workflows tailored to the specific causal mechanisms underlying each type of dataset, demonstrating effectiveness across a wide range of applications. However, as the volume and heterogeneity of real-world data continue to grow, this dataset-specific approach inevitably leads to a fragmented, test-driven paradigm that struggles to scale to the demands of modern scientific discovery. To address this, we formulate the Causal Discovery Foundation Model (CDFM) as a unified, general-purpose framework for zero-shot structural inference. To ensure reliable generalization across unknown domains, we first investigate the theoretical boundaries of causal identifiability, revealing the indispensable role of causal prior mechanisms in this process. Building on these insights, we formulate a principled variational framework that treats unknown causal mechanisms as latent variables and mathematically decomposes the intractable marginal likelihood into distinct, tractable learning modules. The variational decomposition provides a conceptual design principle for the architecture design of CDFM, while comprehensive causal knowledge guides the large-scale synthesis of our pretraining data. By pretraining on a massive, highly diverse space of synthetic structural causal models, CDFM successfully internalizes complex statistical asymmetries. Extensive experiments demonstrate that CDFM consistently outperforms traditional algorithms, driving a paradigm shift toward a general-purpose causal discovery foundation model.

Most existing causal discovery methods rely on the assumption of no latent confounders, limiting their applicability in solving real-life problems. In this paper, we introduce a novel, versatile framework for causal discovery that accommodates the presence of causally-related hidden variables almost everywhere in the causal network (for instance, they can be effects of observed variables), based on rank information of covariance matrix over observed variables. We start by investigating the efficacy of rank in comparison to conditional independence and, theoretically, establish necessary and sufficient conditions for the identifiability of certain latent structural patterns. Furthermore, we develop a Rank-based Latent Causal Discovery algorithm, RLCD, that can efficiently locate hidden variables, determine their cardinalities, and discover the entire causal structure over both measured and hidden ones. We also show that, under certain graphical conditions, RLCD correctly identifies the Markov Equivalence Class of the whole latent causal graph asymptotically. Experimental results on both synthetic and real-world personality data sets demonstrate the efficacy of the proposed approach in finite-sample cases.

Despite the widespread application of latent factor analysis, existing methods suffer from the following weaknesses: requiring the number of factors to be known, lack of theoretical guarantees for learning the model structure, and nonidentifiability of the parameters due to rotation invariance properties of the likelihood. We address these concerns by proposing a fast correlation thresholding (CT) algorithm that simultaneously learns the number of latent factors and a rotationally identifiable model structure. Our novel approach translates this structure learning problem into the search for so-called independent maximal cliques in a thresholded correlation graph that can be easily constructed from the observed data. Our clique analysis technique scales well up to thousands of variables, while competing methods are not applicable in a reasonable amount of running time. We establish a finite-sample error bound and high-dimensional consistency for the structure learning of our method. Through a series of simulation studies and a real data example, we show that the CT algorithm is an accurate method for learning the structure of factor analysis models and is robust to violations of its assumptions.

The GDP of a country is modelled as the relative interaction between two agents - working hours, reflecting the social choice of a population, and Total Factor Productivity, reflecting the collective investment in productivity enhancers. It is shown that a Random Forest model can accu- rately predict the GDP from these two factors. The differences in the choices made by Germany and USA are analysed though Gini importance, SHAP plots and partial dependency. It is shown that the differences in the social structure of the countries are reflected in the relative contribution of working hours and productivity to the GDP.

Genome-wide association study (GWAS) tests single nucleotide polymorphism (SNP) markers across the genome to localize the underlying causal variant of a trait. Because causal variants are seldom observed directly, a surrogate model based on genotyped markers are widely considered. Although many methods estimating the parameters of the surrogate model have been proposed, the connection between the surrogate model and the true causal model is yet investigated. In this work, we establish the connection between the surrogate model and the true causal model. The connection shows that population structure is accounted in GWAS by modelling the variant of interest and not the trait. Such observation explains how environmental confounding can be partially corrected using genetic covariates and why the previously claimed connection between PC correction and linear mixed models is incorrect.

Learning features from data is one of the defining characteristics of deep learning, but our theoretical understanding of the role features play in deep learning is still rudimentary. To address this gap, we introduce a new tool, the interaction tensor, for empirically analyzing the interaction between data and model through features. With the interaction tensor, we make several key observations about how features are distributed in data and how models with different random seeds learn different features. Based on these observations, we propose a conceptual framework for feature learning. Under this framework, the expected accuracy for a single hypothesis and agreement for a pair of hypotheses can both be derived in closed-form. We demonstrate that the proposed framework can explain empirically observed phenomena, including the recently discovered Generalization Disagreement Equality (GDE) that allows for estimating the generalization error with only unlabeled data. Further, our theory also provides explicit construction of natural data distributions that break the GDE. Thus, we believe this work provides valuable new insight into our understanding of feature learning.

Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and periodic organization. Mechanistically explaining these relationships requires interpreting structural evidence through scientific principles and physical constraints, from stereochemistry and bonding to symmetry, energetics and periodic order. However, applying artificial intelligence to this process presents a joint challenge of representation and reasoning: models must preserve domain-native structural information while showing how specific evidence supports predictions under these constraints. Here we introduce SciReasoner, a multimodal scientific foundation model for native structural reasoning across proteins, small molecules and inorganic crystals. SciReasoner discretizes coordinates, topologies and periodic connectivities into a unified structure-aware vocabulary, treating structural tokens as addressable evidence units during reasoning. In homology-controlled Gene Ontology prediction, SciReasoner improves Cellular Component annotation for low-homology and orphan-like proteins, increasing F_{max} from 0.42 to 0.55. In chemistry, it raises single-step retrosynthesis accuracy from 0.63 to 0.72 while generating fragment-level disconnection and precursor-verification traces. In materials science, its representations separate elemental and compound phases and resolve high- and low-band-gap regimes. Across 86 benchmarks, SciReasoner achieves state-of-the-art performance on 67 tasks. Double-blind expert evaluation rates its reasoning traces as preferred or at least comparable to those of a frontier large language model in 98% of cases. By making structure an inspectable substrate for reasoning under scientific constraints, SciReasoner connects accurate prediction with interpretable scientific inference.

Latent variable (LV) models are widely used in psychological research to investigate relationships among unobservable constructs. When one-stage estimation of the overall LV model is challenging, two-stage factor score regression (FSR) serves as a convenient alternative: the measurement model is fitted to obtain factor scores in the first stage, which are then used to fit the structural model in the subsequent stage. However, naive application of FSR is known to yield biased estimates of structural parameters. In this paper, we develop a generic bias-correction framework for two-stage estimation of parametric statistical models and tailor it specifically to FSR. Unlike existing bias-corrected FSR solutions, the proposed method applies to a broader class of LV models and does not require computing specific types of factor scores. We establish the root-n consistency of the proposed bias-corrected two-stage estimator under mild regularity conditions. To ensure broad applicability and minimize reliance on complex analytical derivations, we introduce a stochastic approximation algorithm for point estimation and a Monte Carlo-based procedure for variance estimation. In a sequence of Monte Carlo experiments, we demonstrate that the bias-corrected FSR estimator performs comparably to the ``gold standard'' one-stage maximum likelihood estimator. These results suggest that our approach offers a straightforward yet effective alternative for estimating LV models.

We show that there is a general, informative and reliable procedure for discovering causal relations when, for all the investigator knows, both latent variables and selection bias may be at work. Given information about conditional independence and dependence relations between measured variables, even when latent variables and selection bias may be present, there are sufficient conditions for reliably concluding that there is a causal path from one variable to another, and sufficient conditions for reliably concluding when no such causal path exists.

The increasing availability of spatio-temporal tracking data has created new opportunities for analysing tactical behaviour in football. However, many existing approaches evaluate passes primarily through outcome-based metrics such as scoring probability or possession value, providing limited insight into how passes influence the defensive organisation of the opponent. This paper introduces a structural framework for analysing football passes based on their interaction with defensive structure. Using synchronised tracking/event data, we derive three complementary structural metrics, Line Bypass Score, Space Gain Metric, and Structural Disruption Index, that quantify how passes alter the spatial configuration of defenders. These metrics are combined into a composite measure termed Tactical Impact Value (TIV), which captures the structural influence of individual passes. Using tracking and event data from the 2022 FIFA World Cup, we analyse structural passing behaviour across multiple tactical levels. Unsupervised clustering of structural features reveals four interpretable pass archetypes: circulatory, destabilising, line-breaking, and space-expanding passes. Empirical results show that passes with higher TIV are significantly more likely to lead to territorial progression, particularly entries into the final third and penalty box. Spatial, team-level analyses further reveal distinctive structural passing styles across teams, while player-level analysis highlights the role of build-up defenders as key drivers of structural progression. In addition, analysing passer-receiver interactions identifies structurally impactful passing partnerships that amplify tactical progression within teams. Overall, the proposed framework demonstrates how structural representations derived from tracking data can reveal interpretable tactical patterns in football.

Recent advances in artificial intelligence reveal the limits of purely predictive systems and call for a shift toward causal and collaborative reasoning. Drawing inspiration from the revolution of Grothendieck in mathematics, we introduce the relativity of causal knowledge, which posits structural causal models (SCMs) are inherently imperfect, subjective representations embedded within networks of relationships. By leveraging category theory, we arrange SCMs into a functor category and show that their observational and interventional probability measures naturally form convex structures. This result allows us to encode non-intervened SCMs with convex spaces of probability measures. Next, using sheaf theory, we construct the network sheaf and cosheaf of causal knowledge. These structures enable the transfer of causal knowledge across the network while incorporating interventional consistency and the perspective of the subjects, ultimately leading to the formal, mathematical definition of relative causal knowledge.

For a data-generating process for random variables that can be described with a linear structural equation model, we consider a situation in which (i) a set of covariates satisfying the back-door criterion cannot be observed or (ii) such a set can be observed, but standard statistical estimation methods cannot be applied to estimate causal effects because of multicollinearity/high-dimensional data problems. We propose a novel two-stage penalized regression approach, the penalized covariate-mediator selection operator (PCM Selector), to estimate the causal effects in such scenarios. Unlike existing penalized regression analyses, when a set of intermediate variables is available, PCM Selector provides a consistent or less biased estimator of the causal effect. In addition, PCM Selector provides a variable selection procedure for intermediate variables to obtain better estimation accuracy of the causal effects than does the back-door criterion.

We develop a data-driven information-theoretic framework for sharp partial identification of causal effects under unmeasured confounding. Existing approaches often rely on restrictive assumptions, such as bounded or discrete outcomes; require external inputs (for example, instrumental variables, proxies, or user-specified sensitivity parameters); necessitate full structural causal model specifications; or focus solely on population-level averages while neglecting covariate-conditional effects. We overcome all four limitations simultaneously by establishing novel information-theoretic, data-driven divergence bounds. Our key theoretical contribution shows that the f-divergence between the observational distribution P(Y | A = a, X = x) and the interventional distribution P(Y | do(A = a), X = x) is upper bounded by a function of the propensity score alone. This result enables sharp partial identification of conditional causal effects directly from observational data, without requiring external sensitivity parameters, auxiliary variables, full structural specifications, or outcome boundedness assumptions. For practical implementation, we develop a semiparametric estimator satisfying Neyman orthogonality (Chernozhukov et al., 2018), which ensures root-n consistent inference even when nuisance functions are estimated via flexible machine learning methods. Simulation studies and real-world data applications, implemented in the GitHub repository (https://github.com/yonghanjung/Information-Theretic-Bounds), demonstrate that our framework provides tight and valid causal bounds across a wide range of data-generating processes.

Feature interaction has long been a cornerstone of ranking models in large-scale recommender systems due to its proven effectiveness in capturing complex dependencies among features. However, existing feature interaction strategies face two critical challenges in industrial applications: (1) The vast number of categorical and sequential features makes exhaustive interaction computationally prohibitive, often resulting in optimization difficulties. (2) Real-world recommender systems typically involve multiple prediction objectives, yet most current approaches apply feature interaction modules prior to the multi-task learning layers. This late-fusion design overlooks task-specific feature dependencies and inherently limits the capacity of multi-task modeling. To address these limitations, we propose the Information Flow Network (INFNet), a task-aware architecture designed for large-scale recommendation scenarios. INFNet distinguishes features into three token types, categorical tokens, sequence tokens, and task tokens, and introduces a novel dual-flow design comprising heterogeneous and homogeneous alternating information blocks. For heterogeneous information flow, we employ a cross-attention mechanism with proxy that facilitates efficient cross-modal token interaction with balanced computational cost. For homogeneous flow, we design type-specific Proxy Gated Units (PGUs) to enable fine-grained intra-type feature processing. Extensive experiments on multiple offline benchmarks confirm that INFNet achieves state-of-the-art performance. Moreover, INFNet has been successfully deployed in a commercial online advertising system, yielding significant gains of +1.587% in Revenue (REV) and +1.155% in Click-Through Rate (CTR).

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.

Visual environments are structured, consisting of distinct objects or entities. These entities have properties -- both visible and latent -- that determine the manner in which they interact with one another. To partition images into entities, deep-learning researchers have proposed structural inductive biases such as slot-based architectures. To model interactions among entities, equivariant graph neural nets (GNNs) are used, but these are not particularly well suited to the task for two reasons. First, GNNs do not predispose interactions to be sparse, as relationships among independent entities are likely to be. Second, GNNs do not factorize knowledge about interactions in an entity-conditional manner. As an alternative, we take inspiration from cognitive science and resurrect a classic approach, production systems, which consist of a set of rule templates that are applied by binding placeholder variables in the rules to specific entities. Rules are scored on their match to entities, and the best fitting rules are applied to update entity properties. In a series of experiments, we demonstrate that this architecture achieves a flexible, dynamic flow of control and serves to factorize entity-specific and rule-based information. This disentangling of knowledge achieves robust future-state prediction in rich visual environments, outperforming state-of-the-art methods using GNNs, and allows for the extrapolation from simple (few object) environments to more complex environments.

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are often best described using continuous-time stochastic processes. Unfortunately, most existing structure learning approaches assume that the underlying process evolves in discrete-time and/or observations occur at regular time intervals. These mismatched assumptions can often lead to incorrect learned structures and models. In this work, we introduce a novel structure learning method, SCOTCH, which combines neural stochastic differential equations (SDE) with variational inference to infer a posterior distribution over possible structures. This continuous-time approach can naturally handle both learning from and predicting observations at arbitrary time points. Theoretically, we establish sufficient conditions for an SDE and SCOTCH to be structurally identifiable, and prove its consistency under infinite data limits. Empirically, we demonstrate that our approach leads to improved structure learning performance on both synthetic and real-world datasets compared to relevant baselines under regular and irregular sampling intervals.

The study demonstrates the capabilities of a vector-based approach for calculating stoichiometric coefficients in chemical equations, using black powder as an illustrative example. A method is proposed for selecting and constraining intermediate interactions between reactants, as well as for identifying final products. It is shown that even a small number of components can lead to a large number of final and intermediate products. Through concrete calculations, a correlation is established between the number of possible chemical equations and the number of reactants. A methodology is proposed for computing all possible chemical equations within a reaction system for arbitrary component ratios, enabling the derivation of all feasible chemical reactions. Additionally, a method is developed for calculating the chemical composition for a fixed set of reactants, allowing for the evaluation of the set of products resulting from all possible chemical interactions given a specified initial composition.

We explore local vs. global evolution of knowledge systems through the framework of socio-epistemic networks (SEN), applying two complementary methods to a corpus of scientific texts. The framework comprises three interconnected layers-social, semiotic (material), and semantic-proposing a multilayered approach to understanding structural developments of knowledge. To analyse diachronic changes on the semantic layer, we first use information-theoretic measures based on relative entropy to detect semantic shifts, assess their significance, and identify key driving features. Second, variations in document embedding densities reveal changes in semantic neighbourhoods, tracking how concentration of similar documents increase, remain stable, or disperse. This enables us to trace document trajectories based on content (topics) or metadata (authorship, institution). Case studies of Joseph Silk and Hans-J\"urgen Treder illustrate how individual scholar's work aligns with broader disciplinary shifts in general relativity and gravitation research, demonstrating the applications, limitations, and further potential of this approach.

Most benchmarks for causal inference over time series are observational, small, or domain-specific, leaving interventional and counterfactual estimation under-served exactly where it matters most, such as in healthcare, policy evaluation, and climate science. We introduce DoTime, an open, scalable, and theoretically grounded generator of multivariate temporal structural causal models (TSCMs) with interventions, released as the dotime PyPI package together with four frozen evaluation suites. Beyond existing work, it adds capabilities absent from prior generators: continuous-time intervention windows, counterfactual sampling modes with a positivity guard, regime-switching SCMs as a strict generalization of interrupted time series, non-stationary dynamics by construction with switching SCM parameters, and deterministic ramp and sinusoidal intervention profiles that place trends and structural breaks inside the evaluation window. Moreover, it demonstrates the suitability of the generator as a prior for a causal foundation model reference implementation. The released suites span a training-scale snapshot of 100{,}000 trajectories and eight named identification structures, each with exact ground truth: paired interventional trajectories from the same SCM throughout, and shared-noise counterfactuals in the continuous-time suite. We ship reference baseline implementations with an evaluation harness, and pose a falsifiable claim: interventional training buys a measurable direction-accuracy advantage over an observational model of identical capacity. It is tested across three training seeds per arm. Under structure-matched evaluation on held-out episodes, the interventional prior-fitted network's (PFN) gap is positive in every structure, trajectory length, and seed tested.

Interpretability provides a toolset for understanding how and why neural networks behave in certain ways. However, there is little unity in the field: most studies employ ad-hoc evaluations and do not share theoretical foundations, making it difficult to measure progress and compare the pros and cons of different techniques. Furthermore, while mechanistic understanding is frequently discussed, the basic causal units underlying these mechanisms are often not explicitly defined. In this paper, we propose a perspective on interpretability research grounded in causal mediation analysis. Specifically, we describe the history and current state of interpretability taxonomized according to the types of causal units (mediators) employed, as well as methods used to search over mediators. We discuss the pros and cons of each mediator, providing insights as to when particular kinds of mediators and search methods are most appropriate depending on the goals of a given study. We argue that this framing yields a more cohesive narrative of the field, as well as actionable insights for future work. Specifically, we recommend a focus on discovering new mediators with better trade-offs between human-interpretability and compute-efficiency, and which can uncover more sophisticated abstractions from neural networks than the primarily linear mediators employed in current work. We also argue for more standardized evaluations that enable principled comparisons across mediator types, such that we can better understand when particular causal units are better suited to particular use cases.

This paper addresses a novel task of anticipating 3D human-object interactions (HOIs). Most existing research on HOI synthesis lacks comprehensive whole-body interactions with dynamic objects, e.g., often limited to manipulating small or static objects. Our task is significantly more challenging, as it requires modeling dynamic objects with various shapes, capturing whole-body motion, and ensuring physically valid interactions. To this end, we propose InterDiff, a framework comprising two key steps: (i) interaction diffusion, where we leverage a diffusion model to encode the distribution of future human-object interactions; (ii) interaction correction, where we introduce a physics-informed predictor to correct denoised HOIs in a diffusion step. Our key insight is to inject prior knowledge that the interactions under reference with respect to contact points follow a simple pattern and are easily predictable. Experiments on multiple human-object interaction datasets demonstrate the effectiveness of our method for this task, capable of producing realistic, vivid, and remarkably long-term 3D HOI predictions.

This work provides an in-depth analysis of the relation between the different types of collaboration and research productivity, showing how both are influenced by some personal and organizational variables. By applying different cross-lagged panel models, we are able to analyze the relationship among research productivity, collaboration and their determinants. In particular, we show that only collaboration at intramural and domestic level has a positive effect on research productivity. Differently, all the forms of collaboration are positively affected by research productivity. The results can favor the reexamination of the theories related to these issues, and inform policies that would be more suited to their management.

Estimating causal effect using machine learning (ML) algorithms can help to relax functional form assumptions if used within appropriate frameworks. However, most of these frameworks assume settings with cross-sectional data, whereas researchers often have access to panel data, which in traditional methods helps to deal with unobserved heterogeneity between units. In this paper, we explore how we can adapt double/debiased machine learning (DML) (Chernozhukov et al., 2018) for panel data in the presence of unobserved heterogeneity. This adaptation is challenging because DML's cross-fitting procedure assumes independent data and the unobserved heterogeneity is not necessarily additively separable in settings with nonlinear observed confounding. We assess the performance of several intuitively appealing estimators in a variety of simulations. While we find violations of the cross-fitting assumptions to be largely inconsequential for the accuracy of the effect estimates, many of the considered methods fail to adequately account for the presence of unobserved heterogeneity. However, we find that using predictive models based on the correlated random effects approach (Mundlak, 1978) within DML leads to accurate coefficient estimates across settings, given a sample size that is large relative to the number of observed confounders. We also show that the influence of the unobserved heterogeneity on the observed confounders plays a significant role for the performance of most alternative methods.

Recommendation systems (RS) aim to provide personalized content, but they face a challenge in unbiased learning due to selection bias, where users only interact with items they prefer. This bias leads to a distorted representation of user preferences, which hinders the accuracy and fairness of recommendations. To address the issue, various methods such as error imputation based, inverse propensity scoring, and doubly robust techniques have been developed. Despite the progress, from the structural causal model perspective, previous debiasing methods in RS assume the independence of the exogenous variables. In this paper, we release this assumption and propose a learning algorithm based on likelihood maximization to learn a prediction model. We first discuss the correlation and difference between unmeasured confounding and our scenario, then we propose a unified method that effectively handles latent exogenous variables. Specifically, our method models the data generation process with latent exogenous variables under mild normality assumptions. We then develop a Monte Carlo algorithm to numerically estimate the likelihood function. Extensive experiments on synthetic datasets and three real-world datasets demonstrate the effectiveness of our proposed method. The code is at https://github.com/WallaceSUI/kdd25-background-variable.

Latent or continuous chain-of-thought methods replace explicit textual rationales with a number of internal latent steps, but these intermediate computations are difficult to evaluate beyond correlation-based probes. In this paper, we view latent chain-of-thought as a manipulable causal process in representation space by modeling latent steps as variables in a structural causal model (SCM) and analyzing their effects through step-wise do-interventions. We study two representative paradigms (i.e., Coconut and CODI) on both mathematical and general reasoning tasks to investigate three key questions: (1) which steps are causally necessary for correctness and when answers become decidable early; (2) how does influence propagate across steps, and how does this structure compare to explicit CoT; and (3) do intermediate trajectories retain competing answer modes, and how does output-level commitment differ from representational commitment across steps. We find that latent-step budgets behave less like homogeneous extra depth and more like staged functionality with non-local routing, and we identify a persistent gap between early output bias and late representational commitment. These results motivate mode-conditional and stability-aware analyses -- and corresponding training/decoding objectives -- as more reliable tools for interpreting and improving latent reasoning systems. Code is available at https://github.com/J1mL1/causal-latent-cot.

An introduction to the emerging fusion of machine learning and causal inference. The book presents ideas from classical structural equation models (SEMs) and their modern AI equivalent, directed acyclical graphs (DAGs) and structural causal models (SCMs), and covers Double/Debiased Machine Learning methods to do inference in such models using modern predictive tools.

Modern foundation models rely heavily on using scaling laws to guide crucial training decisions. Researchers often extrapolate the optimal architecture and hyper parameters settings from smaller training runs by describing the relationship between, loss, or task performance, and scale. All components of this process vary, from the specific equation being fit, to the training setup, to the optimization method. Each of these factors may affect the fitted law, and therefore, the conclusions of a given study. We discuss discrepancies in the conclusions that several prior works reach, on questions such as the optimal token to parameter ratio. We augment this discussion with our own analysis of the critical impact that changes in specific details may effect in a scaling study, and the resulting altered conclusions. Additionally, we survey over 50 papers that study scaling trends: while 45 of these papers quantify these trends using a power law, most under-report crucial details needed to reproduce their findings. To mitigate this, we we propose a checklist for authors to consider while contributing to scaling law research.

Click-through rate prediction is one of the core tasks in commercial recommender systems. It aims to predict the probability of a user clicking a particular item given user and item features. As feature interactions bring in non-linearity, they are widely adopted to improve the performance of CTR prediction models. Therefore, effectively modelling feature interactions has attracted much attention in both the research and industry field. The current approaches can generally be categorized into three classes: (1) na\"ive methods, which do not model feature interactions and only use original features; (2) memorized methods, which memorize feature interactions by explicitly viewing them as new features and assigning trainable embeddings; (3) factorized methods, which learn latent vectors for original features and implicitly model feature interactions through factorization functions. Studies have shown that modelling feature interactions by one of these methods alone are suboptimal due to the unique characteristics of different feature interactions. To address this issue, we first propose a general framework called OptInter which finds the most suitable modelling method for each feature interaction. Different state-of-the-art deep CTR models can be viewed as instances of OptInter. To realize the functionality of OptInter, we also introduce a learning algorithm that automatically searches for the optimal modelling method. We conduct extensive experiments on four large datasets. Our experiments show that OptInter improves the best performed state-of-the-art baseline deep CTR models by up to 2.21%. Compared to the memorized method, which also outperforms baselines, we reduce up to 91% parameters. In addition, we conduct several ablation studies to investigate the influence of different components of OptInter. Finally, we provide interpretable discussions on the results of OptInter.

Time series foundation models (TSFMs) are transforming the forecasting paradigm through large-scale cross-domain pretraining. However, most existing TSFMs remain univariate, and recent efforts to enable cross-variate modeling still operate directly within the raw variate space. This design introduces fundamental limitations in semantic alignment and relational expressivity. Specifically, raw-space group mixing lacks a dedicated mechanism to align heterogeneous physical quantities, while standard non-negative attention fails to capture the complex synergistic and antagonistic interactions ubiquitous in real-world systems. To address these challenges, we propose Falcon-X, decouples variates from the raw space and maps them into a unified latent prototype space. Falcon-X employs a Unified Prototype Diff-Attention mechanism that explicitly evaluates both positive and negative semantic affinities to explicitly align heterogeneous variates. Cross-variate interactions are then efficiently performed within this shared space via Latent Entity Attention, naturally facilitating zero-shot structural transfer. Finally, a Variate Reassembly Router robustly reconstructs variate-specific trajectories via a request-and-dispatch mechanism. Extensive evaluations on the GIFT-Eval and fev-bench benchmarks demonstrate that Falcon-X achieves state-of-the-art forecasting performance, offering a principled and scalable paradigm for complex multivariate environments. Falcon-X is publicly released to support future research.

Large language models (LLMs) have demonstrated remarkable capabilities in generating human-like text and exhibiting personality traits similar to those in humans. However, the mechanisms by which LLMs encode and express traits such as agreeableness and impulsiveness remain poorly understood. Drawing on the theory of social determinism, we investigate how long-term background factors, such as family environment and cultural norms, interact with short-term pressures like external instructions, shaping and influencing LLMs' personality traits. By steering the output of LLMs through the utilization of interpretable features within the model, we explore how these background and pressure factors lead to changes in the model's traits without the need for further fine-tuning. Additionally, we suggest the potential impact of these factors on model safety from the perspective of personality.

In-context learning for tabular data sets strong predictive standards in observational settings; it however primarily relies on correlational structure, which becomes unreliable under distribution shift or intervention. While established methods to discover causal structure exist, they are often focused on structure identifiability and decoupled from the predictive architectures that could benefit from them. To bridge these perspectives, we study how to simultaneously infer and enforce causal structure in the form of topological variable orderings into tabular prediction. Unlike standard architectures, our model TabOrder uses causal order-constrained attention, basing predictions only on features that precede a target under a learned causal order. Similar to causal discovery methods, TabOrder learns the optimal variable ordering in an unsupervised manner through a likelihood-based objective. We justify this choice under standard functional model classes and also study how sample missingness, a common challenge in tabular data, interacts with causal direction identification. Empirically, we confirm that TabOrder recovers accurate variable orderings while addressing prediction and imputation tasks, as well as gives insight into real-world biological data under intervention.

It is commonplace to encounter heterogeneous or nonstationary data, of which the underlying generating process changes across domains or over time. Such a distribution shift feature presents both challenges and opportunities for causal discovery. In this paper, we develop a framework for causal discovery from such data, called Constraint-based causal Discovery from heterogeneous/NOnstationary Data (CD-NOD), to find causal skeleton and directions and estimate the properties of mechanism changes. First, we propose an enhanced constraint-based procedure to detect variables whose local mechanisms change and recover the skeleton of the causal structure over observed variables. Second, we present a method to determine causal orientations by making use of independent changes in the data distribution implied by the underlying causal model, benefiting from information carried by changing distributions. After learning the causal structure, next, we investigate how to efficiently estimate the "driving force" of the nonstationarity of a causal mechanism. That is, we aim to extract from data a low-dimensional representation of changes. The proposed methods are nonparametric, with no hard restrictions on data distributions and causal mechanisms, and do not rely on window segmentation. Furthermore, we find that data heterogeneity benefits causal structure identification even with particular types of confounders. Finally, we show the connection between heterogeneity/nonstationarity and soft intervention in causal discovery. Experimental results on various synthetic and real-world data sets (task-fMRI and stock market data) are presented to demonstrate the efficacy of the proposed methods.

Counterfactual prompting (i.e., perturbing a single factor and measuring output change) is widely used to evaluate things like LLM bias and CoT faithfulness. But in this work we argue that observed effects cannot be attributed to the targeted factor without accounting for baseline ``meaning-preserving'' modifications to text that establish general model sensitivity. This is because every counterfactual edit is a compound treatment that bundles the variable of interest with incidental surface-form variation; this violates treatment variation irrelevance. We observe prediction flip rates on MedQA of 14.9% when we surgically change patient gender. However, this is statistically indistinguishable from the flip rates induced by simply paraphrasing inputs (14.1%). In this case, it would therefore be unwarranted to conclude that the LLM is especially sensitive to patient gender. To account for this and robustly measure the effects of targeted interventions, we propose a framework in which we compare (via statistical testing) differences observed under target interventions to those induced by paraphrasing inputs. We then use this framework to revisit a analysis done on the MedPerturb dataset, which reported evidence of model sensitivity to patient demographics and stylistic cues. We find that these effects largely dissipate when we account for general model sensitivity, with only 5 of 120 tests reaching statistical significance. Applying the same framework to occupational biography classification, we detect clearly significant directional gender bias, showing that the framework identifies real directional effects even when they are small. We evaluate a range of metrics -- aggregate, per-sample distributional, and regression -- and find that per-sample metrics are dramatically more powerful than aggregate metrics and regression powerfully and uniquely characterizes effect direction and magnitude.

Schema-guided reasoning pipelines ask LLMs to produce explicit intermediate structures -- rubrics, checklists, verification queries -- before committing to a final decision. But do these structures causally determine the output, or merely accompany it? We introduce a causal evaluation protocol that makes this directly measurable: by selecting tasks where a deterministic function maps intermediate structures to decisions, every controlled edit implies a unique correct output. Across eight models and three benchmarks, models appear self-consistent with their own intermediate structures but fail to update predictions after intervention in up to 60% of cases -- revealing that apparent faithfulness is fragile once the intermediate structure changes. When derivation of the final decision from the structure is delegated to an external tool, this fragility largely disappears; however, prompts which ask to prioritize the intermediate structure over the original input do not materially close the gap. Overall, intermediate structures in schema-guided pipelines function as influential context rather than stable causal mediators.

Observational studies of causal effects require adjustment for confounding factors. In the tabular setting, where these factors are well-defined, separate random variables, the effect of confounding is well understood. However, in public policy, ecology, and in medicine, decisions are often made in non-tabular settings, informed by patterns or objects detected in images (e.g., maps, satellite or tomography imagery). Using such imagery for causal inference presents an opportunity because objects in the image may be related to the treatment and outcome of interest. In these cases, we rely on the images to adjust for confounding but observed data do not directly label the existence of the important objects. Motivated by real-world applications, we formalize this challenge, how it can be handled, and what conditions are sufficient to identify and estimate causal effects. We analyze finite-sample performance using simulation experiments, estimating effects using a propensity adjustment algorithm that employs a machine learning model to estimate the image confounding. Our experiments also examine sensitivity to misspecification of the image pattern mechanism. Finally, we use our methodology to estimate the effects of policy interventions on poverty in African communities from satellite imagery.

Causal discovery aims to recover directed causal relations from observational and interventional data, providing a basis for mechanistic understanding and reliable decision-making. Causal discovery foundation models (CDFMs) seek to amortize this problem by mapping a dataset directly to a causal graph in a single forward pass, avoiding per-dataset testing, search, or optimization. However, existing CDFMs remain limited, often failing to consistently match strong classical methods, and we find that a key bottleneck is how causal pretraining tasks are constructed. Based on this observation, we propose TabCausal, a data-driven CDFM trained with broad causal pretraining over diverse graph priors, structural mechanisms, noise models, dimensions, sample sizes, and intervention regimes. A dynamic task construction strategy composes these causal environments into varied discovery tasks, enabling more transferable structural learning from observational and mixed-interventional data. On large-scale synthetic benchmarks, TabCausal achieves better macro-averaged performance than a diverse set of causal discovery baselines. To further bridge abstract synthetic generators and realistic causal reasoning scenarios, we introduce a protocol-guided and LLM-audited semantic causal environment benchmark, where domain-grounded SCMs generate interpretable observational and interventional datasets for out-of-distribution analysis. Across both synthetic and semantic environments, TabCausal demonstrates robust structure recovery, especially under interventional evidence, highlighting broad causal pretraining as a key ingredient for transferable amortized causal discovery.

Faithful evaluation of language model capabilities is crucial for deriving actionable insights that can inform model development. However, rigorous causal evaluations in this domain face significant methodological challenges, including complex confounding effects and prohibitive computational costs associated with extensive retraining. To tackle these challenges, we propose a causal representation learning framework wherein observed benchmark performance is modeled as a linear transformation of a few latent capability factors. Crucially, these latent factors are identified as causally interrelated after appropriately controlling for the base model as a common confounder. Applying this approach to a comprehensive dataset encompassing over 1500 models evaluated across six benchmarks from the Open LLM Leaderboard, we identify a concise three-node linear causal structure that reliably explains the observed performance variations. Further interpretation of this causal structure provides substantial scientific insights beyond simple numerical rankings: specifically, we reveal a clear causal direction starting from general problem-solving capabilities, advancing through instruction-following proficiency, and culminating in mathematical reasoning ability. Our results underscore the essential role of carefully controlling base model variations during evaluation, a step critical to accurately uncovering the underlying causal relationships among latent model capabilities.

The structure-function relationship is at the heart of biology and major protein deformations are correlated to specific functions. In the case of heme proteins, doming is associated with the respiratory function in hemoglobin and myoglobin, while ruffling has been correlated with electron transfer processes, such as in the case of Cytochrome c (Cyt c). The latter has indeed evolved to become an important electron transfer protein in humans. In its ferrous form, it undergoes ligand release and doming upon photoexcitation, but its ferric form does not release the distal ligand, while the return to the ground state has been attributed to thermal relaxation. Here, by combining femtosecond Fe K-edge X-ray absorption near-edge structure (XANES) studies and femtosecond Fe Kalpha and Kbeta X-ray emission spectroscopy (XES), we demonstrate that the photocycle of ferric Cyt c is entirely due to a cascade among excited spin states of the Iron ion, causing the ferric heme to undergo doming, which we identify for the first time. We also argue that this pattern is common to all ferric haems, raising the question of the biological relevance of doming in such proteins.

This article presents Individual Conditional Expectation (ICE) plots, a tool for visualizing the model estimated by any supervised learning algorithm. Classical partial dependence plots (PDPs) help visualize the average partial relationship between the predicted response and one or more features. In the presence of substantial interaction effects, the partial response relationship can be heterogeneous. Thus, an average curve, such as the PDP, can obfuscate the complexity of the modeled relationship. Accordingly, ICE plots refine the partial dependence plot by graphing the functional relationship between the predicted response and the feature for individual observations. Specifically, ICE plots highlight the variation in the fitted values across the range of a covariate, suggesting where and to what extent heterogeneities might exist. In addition to providing a plotting suite for exploratory analysis, we include a visual test for additive structure in the data generating model. Through simulated examples and real data sets, we demonstrate how ICE plots can shed light on estimated models in ways PDPs cannot. Procedures outlined are available in the R package ICEbox.

We introduce a flexible framework that produces high-quality almost-exact matches for causal inference. Most prior work in matching uses ad-hoc distance metrics, often leading to poor quality matches, particularly when there are irrelevant covariates. In this work, we learn an interpretable distance metric for matching, which leads to substantially higher quality matches. The learned distance metric stretches the covariate space according to each covariate's contribution to outcome prediction: this stretching means that mismatches on important covariates carry a larger penalty than mismatches on irrelevant covariates. Our ability to learn flexible distance metrics leads to matches that are interpretable and useful for the estimation of conditional average treatment effects.

A longstanding goal of biology is to identify the key genes and species that critically impact evolution, ecology, and health. Network analysis has revealed keystone species that regulate ecosystems and master regulators that regulate cellular genetic networks. Yet these studies have focused on pairwise biological interactions, which can be affected by the context of genetic background and other species present generating higher-order interactions. The important regulators of higher-order interactions are unstudied. To address this, we applied a new high-dimensional geometry approach that quantifies epistasis in a fitness landscape to ask how individual genes and species influence the interactions in the rest of the biological network. We then generated and also reanalyzed 5-dimensional datasets (two genetic, two microbiome). We identified key genes (e.g. the rbs locus and pykF) and species (e.g. Lactobacilli) that control the interactions of many other genes and species. These higher-order master regulators can induce or suppress evolutionary and ecological diversification by controlling the topography of the fitness landscape. Thus, we provide mathematical intuition and justification for exploration of biological networks in higher dimensions.

A common assumption holds that enough observational and interventional data, given to a strong enough predictor, suffices. We report a failure mode that contradicts it. Across hundreds of structural causal models, on identified quantities a strong predictor and a Bayesian baseline both succeed, but on unidentified quantities (the couplings between counterfactual worlds) the predictor collapses to a point, on 28% of models to one no valid model can produce, while the truth is an admissible interval more data never narrows. The gap is structural: prediction cannot represent uncertainty over counterfactual couplings. We cast a world model as a single positive semidefinite coupling kernel K(T,T') over admissible worlds, whose diagonal is the ordinary posterior (what a predictor recovers) and whose off-diagonal is the cross-world coupling it cannot, which every counterfactual reads. The paper is the theory of that off-diagonal. It is real: two states with identical posteriors differ on a cross-world query, and the off-diagonal is the coupling that fixes counterfactuals. It can be bounded: positive semidefiniteness is partial-identifying information the marginals lack, and enforcing it bounds counterfactuals in polynomial time where the exact response-type program is intractable. Logical structure sharpens it: ontology axioms tighten the bound by up to a third, propagating to couplings they never touch. It can be acquired: targeted scars, constraints learned from encountered infeasibilities, close the gap several times faster than untargeted ones. Its full reconstruction is approximate counting of the admissible worlds, tractable below the Sly-Sun threshold and inapproximable above; we do not claim to beat the worst case.

Time series forecasting is essential in various domains. Compared to relying solely on endogenous variables (i.e., target variables), considering exogenous variables (i.e., covariates) provides additional predictive information and often leads to more accurate predictions. However, existing methods for time series forecasting with exogenous variables (TSF-X) have the following shortcomings: 1) they do not leverage future exogenous variables, 2) they fail to fully account for the correlation between endogenous and exogenous variables. In this study, to better leverage exogenous variables, especially future exogenous variables, we propose DAG, which utilizes Dual correlAtion network along both the temporal and channel dimensions for time series forecasting with exoGenous variables. Specifically, we propose two core components: the Temporal Correlation Module and the Channel Correlation Module. Both modules consist of a correlation discovery submodule and a correlation injection submodule. The former is designed to capture the correlation effects of historical exogenous variables on future exogenous variables and on historical endogenous variables, respectively. The latter injects the discovered correlation relationships into the processes of forecasting future endogenous variables based on historical endogenous variables and future exogenous variables.

In this work, we aim to reconcile several apparently contradictory observations in market microstructure: is the famous "square-root law" of metaorder impact, which decays with time, compatible with the random-walk nature of prices and the linear impact of order imbalances? Can one entirely explain the volatility of prices as resulting from the flow of uninformed metaorders that mechanically impact them? We introduce a new theoretical framework to describe metaorders with different signs, sizes and durations, which all impact prices as a square-root of volume but with a subsequent time decay. We show that, as in the original propagator model, price diffusion is ensured by the long memory of cross-correlations between metaorders. In order to account for the effect of strongly fluctuating volumes q of individual trades, we further introduce two q-dependent exponents, which allow us to describe how the moments of generalized volume imbalance and the correlation between price changes and generalized order flow imbalance scale with T. We predict in particular that the corresponding power-laws depend in a non-monotonic fashion on a parameter a, which allows one to put the same weight on all child orders or to overweight large ones, a behaviour that is clearly borne out by empirical data. We also predict that the correlation between price changes and volume imbalances should display a maximum as a function of a, which again matches observations. Such noteworthy agreement between theory and data suggests that our framework correctly captures the basic mechanism at the heart of price formation, namely the average impact of metaorders. We argue that our results support the "Order-Driven" theory of excess volatility, and are at odds with the idea that a "Fundamental" component accounts for a large share of the volatility of financial markets.

In a recent paper Juodis and Reese (2022) (JR) show that the application of the CD test proposed by Pesaran (2004) to residuals from panels with latent factors results in over-rejection. They propose a randomized test statistic to correct for over-rejection, and add a screening component to achieve power. This paper considers the same problem but from a different perspective, and shows that the standard CD test remains valid if the latent factors are weak in the sense the strength is less than half. In the case where latent factors are strong, we propose a bias-corrected version, CD*, which is shown to be asymptotically standard normal under the null of error cross-sectional independence and have power against network type alternatives. This result is shown to hold for pure latent factor models as well as for panel regression models with latent factors. The case where the errors are serially correlated is also considered. Small sample properties of the CD* test are investigated by Monte Carlo experiments and are shown to have the correct size for strong and weak factors as well as for Gaussian and non-Gaussian errors. In contrast, it is found that JR's test tends to over-reject in the case of panels with non-Gaussian errors, and has low power against spatial network alternatives. In an empirical application, using the CD* test, it is shown that there remains spatial error dependence in a panel data model for real house price changes across 377 Metropolitan Statistical Areas in the U.S., even after the effects of latent factors are filtered out.

Disentangling the factors of variation in data is a fundamental concept in machine learning and has been studied in various ways by different researchers, leading to a multitude of definitions. Despite the numerous empirical studies, more theoretical research is needed to fully understand the defining properties of disentanglement and how different definitions relate to each other. This paper presents a meta-analysis of existing definitions of disentanglement, using category theory as a unifying and rigorous framework. We propose that the concepts of the cartesian and monoidal products should serve as the core of disentanglement. With these core concepts, we show the similarities and crucial differences in dealing with (i) functions, (ii) equivariant maps, (iii) relations, and (iv) stochastic maps. Overall, our meta-analysis deepens our understanding of disentanglement and its various formulations and can help researchers navigate different definitions and choose the most appropriate one for their specific context.

In a two-band superconductor, two qualitatively different fluctuation modes related to the gap modules contribute to free energy and heat capacity, in addition to the phase fluctuations. The first mode has divergent temperature behaviour since it accounts for the critical fluctuations around the phase transition point, Tc, along with pseudo-critical ones associated with former instability of the weaker-superconductivity component. The involvement of these two factors, competing under interband interaction, results in the Ginzburg number which increases with Tc non-monotonically, allowing the reduction up to 75%. This makes fluctuations effective for revealing additional superconducting component in the system. The second mode does not diverge, but has a jump at Tc, defined uniquely by the strength of interband interaction. This mode contributes fundamentally beyond critical domain.

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data generated by a simulator, bypassing both the hand-engineering of suitable score functions and the search over graphs. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.

Standard methods for detecting discontinuities in conditional means are not applicable to outcomes that are complex, non-Euclidean objects like distributions, networks, or covariance matrices. This article develops a nonparametric test for jumps in conditional means when outcomes lie in a non-Euclidean metric space. Using local Fr\'echet regressionx2014which generalizes standard regression to metric-space valued datax2014the method estimates a mean path on either side of a candidate cutoff, extending existing k-sample tests to a flexible regression setting. Key theoretical contributions include a central limit theorem for the local estimator of the conditional Fr\'echet variance and the asymptotic validity and consistency of the proposed test. Simulations confirm nominal size control and robust power in finite samples. Two applications demonstrate the method's value by revealing effects invisible to scalar-based tests. First, I detect a sharp change in work-from-home compositions at Washington State's income threshold for non-compete enforceability during COVID-19, highlighting remote work's role as a bargaining margin. Second, I find that countries restructure their input-output networks after losing preferential US trade access. These findings underscore that analyzing regression functions within their native metric spaces can reveal structural discontinuities that scalar summaries would miss.

Prior-data fitted networks (PFNs) have emerged as powerful foundation models for tabular causal inference, yet their extension to time series remains limited by the absence of synthetic data generators that provide interventional targets. Existing time series benchmarks generate observational data with ground-truth causal graphs but lack the interventional data required for training causal foundation models. To address this, we propose CausalTimePrior, a principled framework for generating synthetic temporal structural causal models (TSCMs) with paired observational and interventional time series. Our prior supports configurable causal graph structures, nonlinear autoregressive mechanisms, regime-switching dynamics, and multiple intervention types (hard, soft, time-varying). We demonstrate that PFNs trained on CausalTimePrior can perform in-context causal effect estimation on held-out TSCMs, establishing a pathway toward foundation models for time series causal inference.

Recent work has shown promising results in causal discovery by leveraging interventional data with gradient-based methods, even when the intervened variables are unknown. However, previous work assumes that the correspondence between samples and interventions is known, which is often unrealistic. We envision a scenario with an extensive dataset sampled from multiple intervention distributions and one observation distribution, but where we do not know which distribution originated each sample and how the intervention affected the system, i.e., interventions are entirely latent. We propose a method based on neural networks and variational inference that addresses this scenario by framing it as learning a shared causal graph among an infinite mixture (under a Dirichlet process prior) of intervention structural causal models. Experiments with synthetic and real data show that our approach and its semi-supervised variant are able to discover causal relations in this challenging scenario.

We introduce CausaLab, a scalable environment for evaluating interactive causal discovery by LLM agents. Unlike prior evaluations, CausaLab evaluates both whether an agent can solve a problem using causal evidence and whether its answer is grounded in a faithful recovered causal mechanism. Each episode places an agent in a synthetic laboratory: it receives prior measurement records, intervenes on a manipulator crystal, and predicts the resonance frequency of a held-out reactor crystal governed by the same mechanism. The hidden data-generating process is a randomly sampled structural causal model (SCM), so success requires recovering both a causal graph and structural equations rather than recalling prior knowledge. Experiments show a persistent gap between prediction and mechanism recovery: in the purely observational 6-node setting, GPT-5.2-high reaches 92% task accuracy but only 0.471 all-edge F_1. Mixed observation-intervention strategies improve structural fidelity, while pure intervention remains difficult even for strong agents. We identify premature stopping as a major weakness and show that consistency verification mitigates it. CausaLab therefore separates predictive success from causal understanding and exposes current LLM agents' limits as experimental causal reasoners.

We formalize constraint-based structure learning of the "true" causal graph from observed data when unobserved variables are also existent. We provide conditions for a "natural" family of constraint-based structure-learning algorithms that output graphs that are Markov equivalent to the causal graph. Under the faithfulness assumption, this natural family contains all exact structure-learning algorithms. We also provide a set of assumptions, under which any natural structure-learning algorithm outputs Markov equivalent graphs to the causal graph. These assumptions can be thought of as a relaxation of faithfulness, and most of them can be directly tested from (the underlying distribution) of the data, particularly when one focuses on structural causal models. We specialize the definitions and results for structural causal models.

Estimating the causal effects of a spatially-varying intervention on a spatially-varying outcome may be subject to non-local confounding (NLC), a phenomenon that can bias estimates when the treatments and outcomes of a given unit are dictated in part by the covariates of other nearby units. In particular, NLC is a challenge for evaluating the effects of environmental policies and climate events on health-related outcomes such as air pollution exposure. This paper first formalizes NLC using the potential outcomes framework, providing a comparison with the related phenomenon of causal interference. Then, it proposes a broadly applicable framework, termed "weather2vec", that uses the theory of balancing scores to learn representations of non-local information into a scalar or vector defined for each observational unit, which is subsequently used to adjust for confounding in conjunction with causal inference methods. The framework is evaluated in a simulation study and two case studies on air pollution where the weather is an (inherently regional) known confounder.

Debates about whether development projects improve living conditions persist, partly because observational estimates can be biased by incomplete adjustment and because reliable outcome data are scarce at the neighborhood level. We address both issues in a continent-scale, sector-specific evaluation of Chinese and World Bank projects across 9,899 neighborhoods in 36 African countries (2002 to 2013), representative of 88% of the population. First, we use a recent dataset that measures living conditions with a machine-learned wealth index derived from contemporaneous satellite imagery, yielding a consistent panel of 6.7 km square mosaics. Second, to strengthen identification, we proxy officials' map-based placement criteria using pre-treatment daytime satellite images and fuse these with rich tabular covariates to estimate funder- and sector-specific ATEs via inverse-probability weighting. Incorporating imagery systematically shrinks effects relative to tabular-only models, indicating prior work likely overstated benefits. On average, both donors raise wealth, with larger gains for China; sector extremes in our sample include Trade and Tourism for the World Bank (+6.27 IWI points), and Emergency Response for China (+14.32). Assignment-mechanism analyses show World Bank placement is generally more predictable from imagery alone, as well as from tabular covariates. This suggests that Chinese project placements are more driven by non-visible, political, or event-driven factors than World Bank placements. To probe residual concerns about selection on observables, we also estimate within-neighborhood (unit) fixed-effects models at a spatial resolution about 450 times finer than prior fixed effects analyses, leveraging the computer-vision-imputed IWI panels; these deliver smaller but directionally consistent effects.

Large-scale digital platforms generate billions of timestamped user-item interactions (events) that are crucial for predicting user attributes in, e.g., fraud prevention and recommendations. While self-supervised learning (SSL) effectively models the temporal order of events, it typically overlooks the global structure of the user-item interaction graph. To bridge this gap, we propose three model-agnostic strategies for integrating this structural information into contrastive SSL: enriching event embeddings, aligning client representations with graph embeddings, and adding a structural pretext task. Experiments on four financial and e-commerce datasets demonstrate that our approach consistently improves the accuracy (up to a 2.3% AUC) and reveals that graph density is a key factor in selecting the optimal integration strategy.

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.

Modeling high-order feature interactions efficiently is a central challenge in click-through rate and conversion rate prediction. Modern industrial recommender systems are predominantly built upon deep learning recommendation models, where the interaction backbone plays a critical role in determining both predictive performance and system efficiency. However, existing interaction modules often struggle to simultaneously achieve strong interaction capacity, high computational efficiency, and good scalability, resulting in limited ROI when models are scaled under strict production constraints. In this work, we propose MLCC, a structured feature interaction architecture that organizes feature crosses through hierarchical compression and dynamic composition, which can efficiently capture high-order feature dependencies while maintaining favorable computational complexity. We further introduce MC-MLCC, a Multi-Channel extension that decomposes feature interactions into parallel subspaces, enabling efficient horizontal scaling with improved representation capacity and significantly reduced parameter growth. Extensive experiments on three public benchmarks and a large-scale industrial dataset show that our proposed models consistently outperform strong DLRM-style baselines by up to 0.52 AUC, while reducing model parameters and FLOPs by up to 26times under comparable performance. Comprehensive scaling analyses demonstrate stable and predictable scaling behavior across embedding dimension, head number, and channel count, with channel-based scaling achieving substantially better efficiency than conventional embedding inflation. Finally, online A/B testing on a real-world advertising platform validates the practical effectiveness of our approach, which has been widely adopted in Bilibili advertising system under strict latency and resource constraints.

Sequence modeling has produced diverse architectures -- from classical recurrent neural networks to modern Transformers and state space models (SSMs) -- yet a unified theoretical understanding of expressivity and trainability trade-offs remains limited. We introduce a unified framework that represents a broad class of sequence maps via an input-dependent effective interaction operator W_{ij}(X), making explicit two recurring construction patterns: (i) the Unified Factorized Framework (Explicit) (attention-style mixing), in which W_{ij}(X) varies through scalar coefficients applied to shared value maps, and (ii) Structured Dynamics (Implicit) (state-space recurrences), in which W_{ij} is induced by a latent dynamical system. Using this framework, we derive three theoretical results. First, we establish the Interaction Rank Gap: models in the Unified Factorized Framework, such as single-head attention, are constrained to a low-dimensional operator span and cannot represent certain structured dynamical maps. Second, we prove an Equivalence (Head-Count) Theorem showing that, within our multi-head factorized class, representing a linear SSM whose lag operators span a k-dimensional subspace on length-n sequences requires and is achievable with H=k heads. Third, we prove a Gradient Highway Result, showing that attention layers admit inputs with distance-independent gradient paths, whereas stable linear dynamics exhibit distance-dependent gradient attenuation. Together, these results formalize a fundamental trade-off between algebraic expressivity (interaction/operator span) and long-range gradient propagation, providing theoretical grounding for modern sequence architecture design.

We introduce Bayesian Poisson Tucker decomposition (BPTD) for modeling country--country interaction event data. These data consist of interaction events of the form "country i took action a toward country j at time t." BPTD discovers overlapping country--community memberships, including the number of latent communities. In addition, it discovers directed community--community interaction networks that are specific to "topics" of action types and temporal "regimes." We show that BPTD yields an efficient MCMC inference algorithm and achieves better predictive performance than related models. We also demonstrate that it discovers interpretable latent structure that agrees with our knowledge of international relations.

We introduce a novel score-based diffusion framework named Twigs that incorporates multiple co-evolving flows for enriching conditional generation tasks. Specifically, a central or trunk diffusion process is associated with a primary variable (e.g., graph structure), and additional offshoot or stem processes are dedicated to dependent variables (e.g., graph properties or labels). A new strategy, which we call loop guidance, effectively orchestrates the flow of information between the trunk and the stem processes during sampling. This approach allows us to uncover intricate interactions and dependencies, and unlock new generative capabilities. We provide extensive experiments to demonstrate strong performance gains of the proposed method over contemporary baselines in the context of conditional graph generation, underscoring the potential of Twigs in challenging generative tasks such as inverse molecular design and molecular optimization.

Exposing meaningful and interpretable neural interactions is critical to understanding neural circuits. Inferred neural interactions from neural signals primarily reflect functional interactions. In a long experiment, subject animals may experience different stages defined by the experiment, stimuli, or behavioral states, and hence functional interactions can change over time. To model dynamically changing functional interactions, prior work employs state-switching generalized linear models with hidden Markov models (i.e., HMM-GLMs). However, we argue they lack biological plausibility, as functional interactions are shaped and confined by the underlying anatomical connectome. Here, we propose a novel prior-informed state-switching GLM. We introduce both a Gaussian prior and a one-hot prior over the GLM in each state. The priors are learnable. We will show that the learned prior should capture the state-constant interaction, shedding light on the underlying anatomical connectome and revealing more likely physical neuron interactions. The state-dependent interaction modeled by each GLM offers traceability to capture functional variations across multiple brain states. Our methods effectively recover true interaction structures in simulated data, achieve the highest predictive likelihood with real neural datasets, and render interaction structures and hidden states more interpretable when applied to real neural data.

Accurately forecasting the impact of macroeconomic events is critical for investors and policymakers. Salient events like monetary policy decisions and employment reports often trigger market movements by shaping expectations of economic growth and risk, thereby establishing causal relationships between events and market behavior. Existing forecasting methods typically focus either on textual analysis or time-series modeling, but fail to capture the multi-modal nature of financial markets and the causal relationship between events and price movements. To address these gaps, we propose CAMEF (Causal-Augmented Multi-Modality Event-Driven Financial Forecasting), a multi-modality framework that effectively integrates textual and time-series data with a causal learning mechanism and an LLM-based counterfactual event augmentation technique for causal-enhanced financial forecasting. Our contributions include: (1) a multi-modal framework that captures causal relationships between policy texts and historical price data; (2) a new financial dataset with six types of macroeconomic releases from 2008 to April 2024, and high-frequency real trading data for five key U.S. financial assets; and (3) an LLM-based counterfactual event augmentation strategy. We compare CAMEF to state-of-the-art transformer-based time-series and multi-modal baselines, and perform ablation studies to validate the effectiveness of the causal learning mechanism and event types.

We present a constraint-based algorithm for learning causal structures from observational time-series data, in the presence of latent confounders. We assume a discrete-time, stationary structural vector autoregressive process, with both temporal and contemporaneous causal relations. One may ask if temporal and contemporaneous relations should be treated differently. The presented algorithm gradually refines a causal graph by learning long-term temporal relations before short-term ones, where contemporaneous relations are learned last. This ordering of causal relations to be learnt leads to a reduction in the required number of statistical tests. We validate this reduction empirically and demonstrate that it leads to higher accuracy for synthetic data and more plausible causal graphs for real-world data compared to state-of-the-art algorithms.

Large language models achieve high performance on many but not all downstream tasks. The interaction between pretraining data and task data is commonly assumed to determine this variance: a task with data that is more similar to a model's pretraining data is assumed to be easier for that model. We test whether distributional and example-specific similarity measures (embedding-, token- and model-based) correlate with language model performance through a large-scale comparison of the Pile and C4 pretraining datasets with downstream benchmarks. Similarity correlates with performance for multilingual datasets, but in other benchmarks, we surprisingly find that similarity metrics are not correlated with accuracy or even each other. This suggests that the relationship between pretraining data and downstream tasks is more complex than often assumed.

Epidemiologists aiming to model the dynamics of global events face a significant challenge in identifying the factors linked with anomalies such as disease outbreaks. In this paper, we present a novel method for identifying the most important development sectors sensitive to disease outbreaks by using global development indicators as markers. We use statistical methods to assess the causative linkages between these indicators and disease outbreaks, as well as to find the most often ranked indicators. We used data imputation techniques in addition to statistical analysis to convert raw real-world data sets into meaningful data for causal inference. The application of various algorithms for the detection of causal linkages between the indicators is the subject of this research. Despite the fact that disparities in governmental policies between countries account for differences in causal linkages, several indicators emerge as important determinants sensitive to disease outbreaks over the world in the 21st Century.

Structural biology relies on accurate three-dimensional biomolecular structures to advance our understanding of biological functions, disease mechanisms, and therapeutics. While recent advances in deep learning have enabled the development of all-atom foundation models for molecular modeling and generation, existing approaches face challenges in generalization due to the multi-modal nature of atomic data and the lack of comprehensive analysis of training and sampling strategies. To address these limitations, we propose PharMolixFM, a unified framework for constructing all-atom foundation models based on multi-modal generative techniques. Our framework includes three variants using state-of-the-art multi-modal generative models. By formulating molecular tasks as a generalized denoising process with task-specific priors, PharMolixFM achieves robust performance across various structural biology applications. Experimental results demonstrate that PharMolixFM-Diff achieves competitive prediction accuracy in protein-small-molecule docking (83.9% vs. 90.2% RMSD < 2Å, given pocket) with significantly improved inference speed. Moreover, we explore the empirical inference scaling law by introducing more sampling repeats or steps. Our code and model are available at https://github.com/PharMolix/OpenBioMed.

Large language models (LLMs) have gained significant traction across a wide range of fields in recent years. There is also a growing expectation for them to display human-like personalities during interactions. To meet this expectation, numerous studies have proposed methods for modelling LLM personalities through psychometric evaluations. However, most existing models face two major limitations: they rely on the Big Five (OCEAN) framework, which only provides coarse personality dimensions, and they lack mechanisms for controlling trait intensity. In this paper, we address this gap by extending the Machine Personality Inventory (MPI), which originally used the Big Five model, to incorporate the 16 Personality Factor (16PF) model, allowing expressive control over sixteen distinct traits. We also developed a structured framework known as Specific Attribute Control (SAC) for evaluating and dynamically inducing trait intensity in LLMs. Our method introduces adjective-based semantic anchoring to guide trait intensity expression and leverages behavioural questions across five intensity factors: Frequency, Depth, Threshold, Effort, and Willingness. Through experimentation, we find that modelling intensity as a continuous spectrum yields substantially more consistent and controllable personality expression compared to binary trait toggling. Moreover, we observe that changes in target trait intensity systematically influence closely related traits in psychologically coherent directions, suggesting that LLMs internalize multi-dimensional personality structures rather than treating traits in isolation. Our work opens new pathways for controlled and nuanced human-machine interactions in domains such as healthcare, education, and interviewing processes, bringing us one step closer to truly human-like social machines.

As economics scales, a key bottleneck is representing what papers claim in a comparable, aggregable form. We introduce evidence-annotated claim graphs that map each paper into a directed network of standardized economic concepts (nodes) and stated relationships (edges), with each edge labeled by evidentiary basis, including whether it is supported by causal inference designs or by non-causal evidence. Using a structured multi-stage AI workflow, we construct claim graphs for 44,852 economics papers from 1980-2023. The share of causal edges rises from 7.7% in 1990 to 31.7% in 2020. Measures of causal narrative structure and causal novelty are positively associated with top-five publication and long-run citations, whereas non-causal counterparts are weakly related or negative.

Many have observed that the development and deployment of generative machine learning (ML) and artificial intelligence (AI) models follow a distinctive pattern in which pre-trained models are adapted and fine-tuned for specific downstream tasks. However, there is limited empirical work that examines the structure of these interactions. This paper analyzes 1.86 million models on Hugging Face, a leading peer production platform for model development. Our study of model family trees -- networks that connect fine-tuned models to their base or parent -- reveals sprawling fine-tuning lineages that vary widely in size and structure. Using an evolutionary biology lens to study ML models, we use model metadata and model cards to measure the genetic similarity and mutation of traits over model families. We find that models tend to exhibit a family resemblance, meaning their genetic markers and traits exhibit more overlap when they belong to the same model family. However, these similarities depart in certain ways from standard models of asexual reproduction, because mutations are fast and directed, such that two `sibling' models tend to exhibit more similarity than parent/child pairs. Further analysis of the directional drifts of these mutations reveals qualitative insights about the open machine learning ecosystem: Licenses counter-intuitively drift from restrictive, commercial licenses towards permissive or copyleft licenses, often in violation of upstream license's terms; models evolve from multi-lingual compatibility towards english-only compatibility; and model cards reduce in length and standardize by turning, more often, to templates and automatically generated text. Overall, this work takes a step toward an empirically grounded understanding of model fine-tuning and suggests that ecological models and methods can yield novel scientific insights.

Punishment as a mechanism for promoting cooperation has been studied extensively for more than two decades, but its effectiveness remains a matter of dispute. Here, we examine how punishment's impact varies across cooperative settings through a large-scale integrative experiment. We vary 14 parameters that characterize public goods games, sampling 360 experimental conditions and collecting 147,618 decisions from 7,100 participants. Our results reveal striking heterogeneity in punishment effectiveness: while punishment consistently increases contributions, its impact on payoffs (i.e., efficiency) ranges from dramatically enhancing welfare (up to 43% improvement) to severely undermining it (up to 44% reduction) depending on the cooperative context. To characterize these patterns, we developed models that outperformed human forecasters (laypeople and domain experts) in predicting punishment outcomes in new experiments. Communication emerged as the most predictive feature, followed by contribution framing (opt-out vs. opt-in), contribution type (variable vs. all-or-nothing), game length (number of rounds), peer outcome visibility (whether participants can see others' earnings), and the availability of a reward mechanism. Interestingly, however, most of these features interact to influence punishment effectiveness rather than operating independently. For example, the extent to which longer games increase the effectiveness of punishment depends on whether groups can communicate. Together, our results refocus the debate over punishment from whether or not it "works" to the specific conditions under which it does and does not work. More broadly, our study demonstrates how integrative experiments can be combined with machine learning to uncover generalizable patterns, potentially involving interactions between multiple features, and help generate novel explanations in complex social phenomena.

Estimation of causal effects is critical to a range of scientific disciplines. Existing methods for this task either require interventional data, knowledge about the ground truth causal graph, or rely on assumptions such as unconfoundedness, restricting their applicability in real-world settings. In the domain of tabular machine learning, Prior-data fitted networks (PFNs) have achieved state-of-the-art predictive performance, having been pre-trained on synthetic data to solve tabular prediction problems via in-context learning. To assess whether this can be transferred to the harder problem of causal effect estimation, we pre-train PFNs on synthetic data drawn from a wide variety of causal structures, including interventions, to predict interventional outcomes given observational data. Through extensive experiments on synthetic case studies, we show that our approach allows for the accurate estimation of causal effects without knowledge of the underlying causal graph. We also perform ablation studies that elucidate Do-PFN's scalability and robustness across datasets with a variety of causal characteristics.

RL post-training strategies are dataset-dependent and reveal a recurring empirical pattern: capacity parameters accumulate monotonically across stages, while regularization parameters predominantly oscillate in response to shifting training dynamics. This distinction matters because fixed schedules commit all parameters to fixed trajectories and therefore cannot express the non-stationary exploration-exploitation tradeoffs that regularization must track; the principle provides actionable design rules for multi-stage training. We discover this through LLMZero, a system where LLM agents search over training trajectories via tree search, diagnosing pathologies at each checkpoint and proposing coordinated multi-parameter transitions. Across 4 diverse GRPO tasks, LLMZero discovers strategies that improve over the base model by 9% to 140% relative and over grid search by 6% to 15% relative, consistently outperforming random search and the skill-based agent. The structural principle transfers across tasks, providing an explanation for why discovered strategies take qualitatively different forms yet share similar parameter dynamics.

Socio-economic causal effects depend heavily on their specific institutional and environmental context. A single intervention can produce opposite results depending on regulatory or market factors, contexts that are often complex and only partially observed. This poses a significant challenge for large language models (LLMs) in decision-support roles: can they distinguish structural causal mechanisms from surface-level correlations when the context changes? To address this, we introduce EconCausal, a large-scale benchmark comprising 10,490 context-annotated causal triplets extracted from 2,595 high-quality empirical studies published in top-tier economics and finance journals. Through a rigorous four-stage pipeline combining multi-run consensus, context refinement, and multi-critic filtering, we ensure each claim is grounded in peer-reviewed research with explicit identification strategies. Our evaluation reveals critical limitations in current LLMs' context-dependent reasoning. While top models achieve approximately 88 percent accuracy in fixed, explicit contexts, performance drops sharply under context shifts, with a 32.6 percentage point decline, and falls to 37 percent when misinformation is introduced. Furthermore, models exhibit severe over-commitment in ambiguous cases and struggle to recognize null effects, achieving only 9.5 percent accuracy, exposing a fundamental gap between pattern matching and genuine causal reasoning. These findings underscore substantial risks for high-stakes economic decision-making, where the cost of misinterpreting causality is high. The dataset and benchmark are publicly available at https://github.com/econaikaist/econcausal-benchmark.

Foundation Models (FMs) have improved time series forecasting in various sectors, such as finance, but their vulnerability to input disturbances can hinder their adoption by stakeholders, such as investors and analysts. To address this, we propose a causally grounded rating framework to study the robustness of Foundational Models for Time Series (FMTS) with respect to input perturbations. We evaluate our approach to the stock price prediction problem, a well-studied problem with easily accessible public data, evaluating six state-of-the-art (some multi-modal) FMTS across six prominent stocks spanning three industries. The ratings proposed by our framework effectively assess the robustness of FMTS and also offer actionable insights for model selection and deployment. Within the scope of our study, we find that (1) multi-modal FMTS exhibit better robustness and accuracy compared to their uni-modal versions and, (2) FMTS pre-trained on time series forecasting task exhibit better robustness and forecasting accuracy compared to general-purpose FMTS pre-trained across diverse settings. Further, to validate our framework's usability, we conduct a user study showcasing FMTS prediction errors along with our computed ratings. The study confirmed that our ratings reduced the difficulty for users in comparing the robustness of different systems.

Understanding the interplay between intra-modality dependencies (the contribution of an individual modality to a target task) and inter-modality dependencies (the relationships between modalities and the target task) is fundamental to advancing multi-modal learning. However, the nature of and interaction between these dependencies within current benchmark evaluations remains poorly characterized. In this work, we present a large-scale empirical study to quantify these dependencies across 23 visual question-answering benchmarks using multi-modal large language models (MLLMs) covering domains such as general and expert knowledge reasoning, optical character recognition, and document understanding. Our findings show that the reliance on vision, question (text), and their interaction varies significantly, both across and within benchmarks. We discover that numerous benchmarks intended to mitigate text-only biases have inadvertently amplified image-only dependencies. This characterization persists across model sizes and types, with models often obtaining high performance by using each modality independently and showing limited dependence on their interaction. We provide a quantitative characterization of multi-modal datasets, enabling a principled approach to multi-modal benchmark design and evaluation.

This paper presents a novel methodology for predicting international bilateral trade flows, emphasizing the growing importance of Preferential Trade Agreements (PTAs) in the global trade landscape. Acknowledging the limitations of traditional models like the Gravity Model of Trade, this study introduces a two-stage approach combining explainable machine learning and factorization models. The first stage employs SHAP Explainer for effective variable selection, identifying key provisions in PTAs, while the second stage utilizes Factorization Machine models to analyze the pairwise interaction effects of these provisions on trade flows. By analyzing comprehensive datasets, the paper demonstrates the efficacy of this approach. The findings not only enhance the predictive accuracy of trade flow models but also offer deeper insights into the complex dynamics of international trade, influenced by specific bilateral trade provisions.

Cooperation enables teams to solve complex problems that one individual alone cannot address. In science, collaborative teams have become the predominant way through which progress is achieved. These scientific collaborations arise though various mechanisms, among which interactions at conferences. The Scialog conferences, which comprise a series of small, interdisciplinary scientific workshops held over several years, are an ideal laboratory to study the network mechanisms leading to team formation. Building on existing work studying team formation from a pairwise perspective, we present a higher-order network perspective generalizing this framework. We provide a formalization for the notion of group interaction over time by defining a taxonomy of synchronous and asynchronous group interactions. We apply this framework to the Scialog case study using a stepwise selection logistic model and find evidence that all interaction types described in our taxonomy are highly significant for team formation. This higher-order network perspective provides a new framework for the study of collective behavior and group formation.

This study presents a hybrid framework for predicting movie success. The framework integrates multi-task learning (MTL), GPT-based sentiment analysis, and Susceptible-Infected-Recovered (SIR) propagation modeling. The study examines limitations in existing approaches. It models static production attributes, information dissemination, and audience sentiment at the same time. The framework uses 5,840 films from 2004 to 2024 and approximate 300,000 user reviews. It shows predictive performance with classification accuracy of 0.964 and regression metrics of MAE 0.388. Ablation analysis indicates component interactions. Selective feature combinations perform better than the comprehensive model. This result questions assumptions about feature integration. The model shows virality patterns between successful and unsuccessful films. Innovations include epidemiological modeling for information diffusion, multidimensional sentiment features from GPT-based analysis, and a shared representation architecture that optimizes multiple success metrics. The framework provides applications in the film production lifecycle. It also contributes to understanding how audience engagement leads to commercial outcomes.

Often we wish to predict a large number of variables that depend on each other as well as on other observed variables. Structured prediction methods are essentially a combination of classification and graphical modeling, combining the ability of graphical models to compactly model multivariate data with the ability of classification methods to perform prediction using large sets of input features. This tutorial describes conditional random fields, a popular probabilistic method for structured prediction. CRFs have seen wide application in natural language processing, computer vision, and bioinformatics. We describe methods for inference and parameter estimation for CRFs, including practical issues for implementing large scale CRFs. We do not assume previous knowledge of graphical modeling, so this tutorial is intended to be useful to practitioners in a wide variety of fields.

The static synaptic connectivity of neuronal circuits stands in direct contrast to the dynamics of their function. As in changing community interactions, different neurons can participate actively in various combinations to effect behaviors at different times. We introduce an unsupervised approach to learn the dynamic affinities between neurons in live, behaving animals, and to reveal which communities form among neurons at different times. The inference occurs in two major steps. First, pairwise non-linear affinities between neuronal traces from brain-wide calcium activity are organized by non-negative tensor factorization (NTF). Each factor specifies which groups of neurons are most likely interacting for an inferred interval in time, and for which animals. Finally, a generative model that allows for weighted community detection is applied to the functional motifs produced by NTF to reveal a dynamic functional connectome. Since time codes the different experimental variables (e.g., application of chemical stimuli), this provides an atlas of neural motifs active during separate stages of an experiment (e.g., stimulus application or spontaneous behaviors). Results from our analysis are experimentally validated, confirming that our method is able to robustly predict causal interactions between neurons to generate behavior. Code is available at https://github.com/dyballa/dynamic-connectomes.

Multilevel data are prevalent in many real-world applications. However, it remains an open research problem to identify and justify a class of models that flexibly capture a wide range of multilevel data. Motivated by the versatility of the mixture of experts (MoE) models in fitting regression data, in this article we extend upon the MoE and study a class of mixed MoE (MMoE) models for multilevel data. Under some regularity conditions, we prove that the MMoE is dense in the space of any continuous mixed effects models in the sense of weak convergence. As a result, the MMoE has a potential to accurately resemble almost all characteristics inherited in multilevel data, including the marginal distributions, dependence structures, regression links, random intercepts and random slopes. In a particular case where the multilevel data is hierarchical, we further show that a nested version of the MMoE universally approximates a broad range of dependence structures of the random effects among different factor levels.

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.

Click-through prediction (CTR) models transform features into latent vectors and enumerate possible feature interactions to improve performance based on the input feature set. Therefore, when selecting an optimal feature set, we should consider the influence of both feature and its interaction. However, most previous works focus on either feature field selection or only select feature interaction based on the fixed feature set to produce the feature set. The former restricts search space to the feature field, which is too coarse to determine subtle features. They also do not filter useless feature interactions, leading to higher computation costs and degraded model performance. The latter identifies useful feature interaction from all available features, resulting in many redundant features in the feature set. In this paper, we propose a novel method named OptFS to address these problems. To unify the selection of feature and its interaction, we decompose the selection of each feature interaction into the selection of two correlated features. Such a decomposition makes the model end-to-end trainable given various feature interaction operations. By adopting feature-level search space, we set a learnable gate to determine whether each feature should be within the feature set. Because of the large-scale search space, we develop a learning-by-continuation training scheme to learn such gates. Hence, OptFS generates the feature set only containing features which improve the final prediction results. Experimentally, we evaluate OptFS on three public datasets, demonstrating OptFS can optimize feature sets which enhance the model performance and further reduce both the storage and computational cost.

This paper introduces a structural equation formulation that gives rise to a new family of quasi-periodic Gaussian processes, useful to process a broad class of natural and physiological signals. The proposed formulation simplifies generation and forecasting, and provides hyperparameter estimates, which we exploit in a convergent and consistent iterative estimation algorithm. A bootstrap approach for standard error estimation and confidence intervals is also provided. We demonstrate the computational and scaling benefits of the proposed approach on a broad class of problems, including water level tidal analysis, CO_{2} emission data, and sunspot numbers data. By leveraging the structural equations, our method reduces the cost of likelihood evaluations and predictions from O(k^2 p^2) to O(p^2), significantly improving scalability.

A compartmental deterministic model that allows (1) immunity from two stages of infection and carriage, and (2) disease induced death, is used in studying the dynamics of meningitis epidemic process in a closed population. It allows for difference in the transmission rate of infection to a susceptible by a carrier and an infective. It is generalized to allow a proportion ({\phi}) of those susceptibles infected to progress directly to infectives in stage I. Both models are used in this study. The threshold conditions for the spread of carrier and infectives in stage I are derived for the two models. Sensitivity analysis is performed on the reproductive number derived from the next generation matrix. The case-carrier ratio profile for various parameters and threshold values are shown. So also are the graphs of the total number ever infected as influenced by {\epsilon} and {\phi}. The infection transmission rate (eta), the odds in favor of a carrier, over an infective, in transmitting an infection to a susceptible ({\epsilon}) and the carrier conversion rate ({\phi}) to an infective in stage I, are identified as key parameters that should be subject of attention for any control intervention strategy. The case-carrier ratio profiles provide evidence of a critical case-carrier ratio attained before the number of reported cases grows to an epidemic level. They also provide visual evidence of epidemiological context, in this case, epidemic incidence (in later part of dry season) and endemic incidence (during rainy season). Results from total proportion ever infected suggest that the model, in which {\phi}=0 obtained, can adequately represent, in essence, the generalized model for this study.

The principle of detailed balance states that in equilibrium each elementary process is equilibrated by its reverse process. For many real physico-chemical complex systems (e.g. homogeneous combustion, heterogeneous catalytic oxidation, most enzyme reactions etc), detailed mechanisms include both reversible and irreversible reactions. In this case, the principle of detailed balance cannot be applied directly. We represent irreversible reactions as limits of reversible steps and obtain the principle of detailed balance for complex mechanisms with some irreversible elementary processes. We proved two consequences of the detailed balance for these mechanisms: the structural condition and the algebraic condition that form together the extended form of detailed balance. The algebraic condition is the principle of detailed balance for the reversible part. The structural condition is: the convex hull of the stoichiometric vectors of the irreversible reactions has empty intersection with the linear span of the stoichiometric vectors of the reversible reaction. Physically, this means that the irreversible reactions cannot be included in oriented pathways. The systems with the extended form of detailed balance are also the limits of the reversible systems with detailed balance when some of the equilibrium concentrations (or activities) tend to zero. Surprisingly, the structure of the limit reaction mechanism crucially depends on the relative speeds of this tendency to zero.

A core goal of computational social science is to discover interpretable differences in how language varies across outcomes of interest, such as political affiliation or instructional quality. Recent LLM-based hypothesis generation methods describe such differences in natural language, but select for globally discriminative patterns without accounting for covariates that shape the data based on researchers' domain knowledge. When covariates are ignored, selected patterns can reflect confounds rather than differences of substantive interest. We introduce conditional hypothesis generation, a framework that incorporates researcher-specified covariates to steer hypothesis discovery toward differences that hold within relevant subgroups. Two challenges arise: the target subgroup may be underrepresented (stratum imbalance), and the direction of a difference may reverse across subgroups (sign reversal). We propose two econometrics-inspired methods: one introduces feature--covariate interactions to detect sign reversals, and the other applies within-stratum demeaning and inverse-frequency reweighting to equalize underrepresented strata. Synthetic experiments show each method outperforms global baselines in its targeted setting, and expert evaluation on two real-world datasets confirms that covariate-aware generation surfaces more useful hypotheses within relevant subgroups.

We study neural network loss landscapes through the lens of mode connectivity, the observation that minimizers of neural networks retrieved via training on a dataset are connected via simple paths of low loss. Specifically, we ask the following question: are minimizers that rely on different mechanisms for making their predictions connected via simple paths of low loss? We provide a definition of mechanistic similarity as shared invariances to input transformations and demonstrate that lack of linear connectivity between two models implies they use dissimilar mechanisms for making their predictions. Relevant to practice, this result helps us demonstrate that naive fine-tuning on a downstream dataset can fail to alter a model's mechanisms, e.g., fine-tuning can fail to eliminate a model's reliance on spurious attributes. Our analysis also motivates a method for targeted alteration of a model's mechanisms, named connectivity-based fine-tuning (CBFT), which we analyze using several synthetic datasets for the task of reducing a model's reliance on spurious attributes.

Artefact descriptions are the primary carriers of engineering design knowledge that is both an outcome and a driver of the design process. While an artefact could be described in different connotations, the design process requires a description to embody engineering design knowledge, which is expressed in the text through intricate placement of entities and relationships. As large-language models learn from all kinds of text merely as a sequence of characters/tokens, these are yet to generate text that embodies explicit engineering design facts. Existing ontological design theories are less likely to guide the large-language models whose applications are currently limited to ideation and learning purposes. In this article, we explicate engineering design knowledge as knowledge graphs from a large sample of 33,881 patent documents. We examine the constituents of these knowledge graphs to understand the linguistic and structural basis of engineering design knowledge. In terms of linguistic basis, we observe that entities and relationships could be generalised to 64 and 24 linguistic syntaxes. While relationships mainly capture attributes ('of'), structure ('in', 'with'), purpose ('to', 'for'), hierarchy ('include'), exemplification ('such as'), and behaviour ('to', 'from'), the hierarchical relationships could specifically be identified using 75 unique syntaxes. To understand the structural basis, we draw inspiration from various studies on biological/ecological networks and discover motifs from patent knowledge graphs. We identify four 3-node and four 4-node patterns that could further be converged and simplified into sequence [->...->], aggregation [->...<-], and hierarchy [<-...->]. Expected to guide large-language model based design tools, we propose few regulatory precepts for concretising abstract entities and relationships within subgraphs, while explicating hierarchical structures.

This study examines the effects of de-globalization trends on international trade networks and their role in improving forecasts for economic growth. Using section-level trade data from nearly 200 countries from 2010 to 2022, we identify significant shifts in the network topology driven by rising trade policy uncertainty. Our analysis highlights key global players through centrality rankings, with the United States, China, and Germany maintaining consistent dominance. Using a horse race of supervised regressors, we find that network topology descriptors evaluated from section-specific trade networks substantially enhance the quality of a country's GDP growth forecast. We also find that non-linear models, such as Random Forest, XGBoost, and LightGBM, outperform traditional linear models used in the economics literature. Using SHAP values to interpret these non-linear model's predictions, we find that about half of most important features originate from the network descriptors, underscoring their vital role in refining forecasts. Moreover, this study emphasizes the significance of recent economic performance, population growth, and the primary sector's influence in shaping economic growth predictions, offering novel insights into the intricacies of economic growth forecasting.

Domain expertise enhances judgment within boundaries but creates systematic vulnerabilities specifically at borders. We term this Transitive Expert Error (TEE), distinct from Dunning-Kruger effects, requiring calibrated expertise as precondition. Mechanisms enabling reliable within-domain judgment become liabilities when structural similarity masks causal divergence. Two core mechanisms operate: structural similarity bias causes experts to overweight surface features (shared vocabulary, patterns, formal structure) while missing causal architecture differences; authority persistence maintains confidence across competence boundaries through social reinforcement and metacognitive failures (experts experience no subjective uncertainty as pattern recognition operates smoothly on familiar-seeming inputs.) These mechanism intensify under three conditions: shared vocabulary masking divergent processes, social pressure for immediate judgment, and delayed feedback. These findings extend to AI routing architectures (MoE systems, multi-model orchestration, tool-using agents, RAG systems) exhibiting routing-induced failures (wrong specialist selected) and coverage-induced failures (no appropriate specialist exists). Both produce a hallucination phenotype: confident, coherent, structurally plausible but causally incorrect outputs at domain boundaries. In human systems where mechanisms are cognitive black boxes; AI architectures make them explicit and addressable. We propose interventions: multi-expert activation with disagreement detection (router level), boundary-aware calibration (specialist level), and coverage gap detection (training level). TEE has detectable signatures (routing patterns, confidence-accuracy dissociations, domain-inappropriate content) enabling monitoring and mitigation. What remains intractable in human cognition becomes addressable through architectural design.

Graphs have often been used to answer questions about the interaction between real-world entities by taking advantage of their capacity to represent complex topologies. Complex networks are known to be graphs that capture such non-trivial topologies; they are able to represent human phenomena such as epidemic processes, the dynamics of populations, and the urbanization of cities. The investigation of complex networks has been extrapolated to many fields of science, with particular emphasis on computing techniques, including artificial intelligence. In such a case, the analysis of the interaction between entities of interest is transposed to the internal learning of algorithms, a paradigm whose investigation is able to expand the state of the art in Computer Science. By exploring this paradigm, this thesis puts together complex networks and machine learning techniques to improve the understanding of the human phenomena observed in pandemics, pendular migration, and street networks. Accordingly, we contribute with: (i) a new neural network architecture capable of modeling dynamic processes observed in spatial and temporal data with applications in epidemics propagation, weather forecasting, and patient monitoring in intensive care units; (ii) a machine-learning methodology for analyzing and predicting links in the scope of human mobility between all the cities of Brazil; and, (iii) techniques for identifying inconsistencies in the urban planning of cities while tracking the most influential vertices, with applications over Brazilian and worldwide cities. We obtained results sustained by sound evidence of advances to the state of the art in artificial intelligence, rigorous formalisms, and ample experimentation. Our findings rely upon real-world applications in a range of domains, demonstrating the applicability of our methodologies.

We introduce a general, flexible, parametric survival modelling framework which encompasses key shapes of hazard function (constant, increasing, decreasing, up-then-down, down-then-up), various common survival distributions (log-logistic, Burr type XII, Weibull, Gompertz), and includes defective distributions (i.e., cure models). This generality is achieved using four basic distributional parameters: two scale-type parameters and two shape parameters. Generalising to covariate dependence, the scale-type regression components correspond to accelerated failure time (AFT) and proportional hazards (PH) models. Therefore, this general formulation unifies the most popular survival models which allows us to consider the practical value of possible modelling choices for survival data. Furthermore, in line with our proposed flexible baseline distribution, we advocate the use of multi-parameter regression in which more than one distributional parameter depends on covariates - rather than the usual convention of having a single covariate-dependent (scale) parameter. While many choices are available, we suggest introducing covariates through just one or other of the two scale parameters, which covers AFT and PH models, in combination with a `power' shape parameter, which allows for more complex non-AFT/non-PH effects, while the other shape parameter remains covariate-independent, and handles automatic selection of the baseline distribution. We explore inferential issues in simulations, both with and without a covariate, with particular focus on evidence concerning the need, or otherwise, to include both AFT and PH parameters. We illustrate the efficacy of our modelling framework by investigating differences between treatment groups using data from a lung cancer study and a melanoma study. Censoring is accommodated throughout.

Large Language Model (LLM) multi-agent systems are increasingly deployed as interacting agent societies, yet scaling these systems often yields diminishing or unstable returns, the causes of which remain poorly understood. We present the first large-scale empirical study of coordination dynamics in LLM-based multi-agent systems, introducing an atomic event-level formulation that reconstructs reasoning as cascades of coordination. Analyzing over 1.5 Million interactions across tasks, topologies, and scales, we uncover three coupled laws: coordination follows heavy-tailed cascades, concentrates via preferential attachment into intellectual elites, and produces increasingly frequent extreme events as system size grows. We show that these effects are coupled through a single structural mechanism: an integration bottleneck, in which coordination expansion scales with system size while consolidation does not, producing large but weakly integrated reasoning processes. To test this mechanism, we introduce Deficit-Triggered Integration (DTI), which selectively increases integration under imbalance. DTI improves performance precisely where coordination fails, without suppressing large-scale reasoning. Together, our results establish quantitative laws of collective cognition and identify coordination structure as a fundamental, previously unmeasured axis for understanding and improving scalable multi-agent intelligence.

Economic activities favor mutual geographical proximity and concentrate spatially to form cities. In a world of diminishing transport costs, however, the advantage of physical proximity is fading, and the role of cities in the economy may be declining. To provide insights into the long-run evolution of cities, we analyzed Japan's census data over the 1970--2015 period. We found that fewer and larger cities thrived at the national scale, suggesting an eventual mono-centric economy with a single megacity; simultaneously, each larger city flattened out at the local scale, suggesting an eventual extinction of cities. We interpret this multi-scale phenomenon as an instance of pattern formation by self-organization, which is widely studied in mathematics and biology. However, cities' dynamics are distinct from mathematical or biological mechanisms because they are governed by economic interactions mediated by transport costs between locations. Our results call for the synthesis of knowledge in mathematics, biology, and economics to open the door for a general pattern formation theory that is applicable to socioeconomic phenomena.

We present a general causal generative modelling framework for accurate estimation of high fidelity image counterfactuals with deep structural causal models. Estimation of interventional and counterfactual queries for high-dimensional structured variables, such as images, remains a challenging task. We leverage ideas from causal mediation analysis and advances in generative modelling to design new deep causal mechanisms for structured variables in causal models. Our experiments demonstrate that our proposed mechanisms are capable of accurate abduction and estimation of direct, indirect and total effects as measured by axiomatic soundness of counterfactuals.

Genotype-by-Environment (GxE) interactions influence the performance of genotypes across diverse environments, reducing the predictability of phenotypes in target environments. In-depth analysis of GxE interactions facilitates the identification of how genetic advantages or defects are expressed or suppressed under specific environmental conditions, thereby enabling genetic selection and enhancing breeding practices. This paper introduces two key models for GxE interaction research. Specifically, it includes significance analysis based on the mixed effect model to determine whether genes or GxE interactions significantly affect phenotypic traits; stability analysis, which further investigates the interactive relationships between genes and environments, as well as the relative superiority or inferiority of genotypes across environments. Additionally, this paper presents RGxEStat, a lightweight interactive tool, which is developed by the authors and integrates the construction, solution, and visualization of the aforementioned models. Designed to eliminate the need for breeders and agronomists to learn complex SAS or R programming, RGxEStat provides a user-friendly interface for streamlined breeding data analysis, significantly accelerating research cycles. Codes and datasets are available at https://github.com/mason-ching/RGxEStat.