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Jul 31

Intern-Atlas: A Methodological Evolution Graph as Research Infrastructure for AI Scientists

Existing research infrastructure is fundamentally document-centric, providing citation links between papers but lacking explicit representations of methodological evolution. In particular, it does not capture the structured relationships that explain how and why research methods emerge, adapt, and build upon one another. With the rise of AI-driven research agents as a new class of consumers of scientific knowledge, this limitation becomes increasingly consequential, as such agents cannot reliably reconstruct method evolution topologies from unstructured text. We introduce Intern-Atlas, a methodological evolution graph that automatically identifies method-level entities, infers lineage relationships among methodologies, and captures the bottlenecks that drive transitions between successive innovations. Built from 1,030,314 papers spanning AI conferences, journals, and arXiv preprints, the resulting graph comprises 9,410,201 semantically typed edges, each grounded in verbatim source evidence, forming a queryable causal network of methodological development. To operationalize this structure, we further propose a self-guided temporal tree search algorithm for constructing evolution chains that trace the progression of methods over time. We evaluate the quality of the resulting graph against expert-curated ground-truth evolution chains and observe strong alignment. In addition, we demonstrate that Intern-Atlas enables downstream applications in idea evaluation and automated idea generation. We position methodological evolution graphs as a foundational data layer for the emerging automated scientific discovery.

  • 13 authors
·
Apr 29 4

Causal Evidence for the Primordiality of Colors in Trans-Neptunian Objects

The origins of the colors of Trans-Neptunian Objects (TNOs) represent a crucial unresolved question, central to understanding the history of our Solar System. Recent observational surveys have revealed correlations between the eccentricity and inclination of TNOs and their colors. This has rekindled the long-standing debate on whether these colors reflect the conditions of TNO formation or their subsequent collisional evolution. In this study, we address this question with 98.7% certainty, using a model-agnostic, data-driven approach based on causal graphs. First, as a sanity check, we demonstrate how our model can replicate the currently accepted paradigms of TNOs' dynamical history, blindly and without any orbital modeling or physics-based assumptions. In fact, our causal model (with no knowledge of the existence of Neptune) predicts the existence of an unknown perturbing body, i.e., Neptune. We then show how this model predicts, with high certainty, that the color of TNOs is the root cause of their inclination distribution, rather than the other way around. This strongly suggests that the colors of TNOs reflect an underlying dynamical property, most likely their formation location. Moreover, our causal model excludes formation scenarios that invoke substantial color modification by subsequent irradiation. We therefore conclude that the colors of TNOs are predominantly primordial.

  • 6 authors
·
Jul 4, 2025

Causal Scaffolding for Physical Reasoning: A Benchmark for Causally-Informed Physical World Understanding in VLMs

Understanding and reasoning about the physical world is the foundation of intelligent behavior, yet state-of-the-art vision-language models (VLMs) still fail at causal physical reasoning, often producing plausible but incorrect answers. To address this gap, we introduce CausalPhys, a benchmark of over 3,000 carefully curated video- and image-based questions spanning four domains: Perception, Anticipation, Intervention, and Goal Orientation. Each question is paired with an expert-annotated causal graph capturing object-attribute-event dependencies, enabling interpretable and fine-grained evaluation of causal understanding. Building on this, we formulate a causal-graph-grounded metric that quantitatively measures how well a model's chain-of-thought reasoning aligns with the correct causal relations, moving beyond answer-only accuracy and enabling systematic diagnosis of VLMs' causal reasoning failures. Using this metric, we conduct a comprehensive analysis of leading VLMs, revealing systematic gaps in capturing causal dependencies and underscoring the need for causality-aware learning. To address these limitations, we further propose Causal Rationale-informed Fine-Tuning (CRFT), which explicitly aligns VLM reasoning with causal structures. Extensive experiments demonstrate that CRFT substantially enhances both reasoning accuracy and interpretability across multiple model backbones. By unifying dataset curation, causal evaluation, and causality-informed learning, CausalPhys establishes a strong foundation for advancing modern VLMs toward causally grounded physical reasoning.

  • 7 authors
·
Jun 3

Seeing is Not Reasoning: MVPBench for Graph-based Evaluation of Multi-path Visual Physical CoT

Understanding the physical world - governed by laws of motion, spatial relations, and causality - poses a fundamental challenge for multimodal large language models (MLLMs). While recent advances such as OpenAI o3 and GPT-4o demonstrate impressive perceptual and reasoning capabilities, our investigation reveals these models struggle profoundly with visual physical reasoning, failing to grasp basic physical laws, spatial interactions, and causal effects in complex scenes. More importantly, they often fail to follow coherent reasoning chains grounded in visual evidence, especially when multiple steps are needed to arrive at the correct answer. To rigorously evaluate this capability, we introduce MVPBench, a curated benchmark designed to rigorously evaluate visual physical reasoning through the lens of visual chain-of-thought (CoT). Each example features interleaved multi-image inputs and demands not only the correct final answer but also a coherent, step-by-step reasoning path grounded in evolving visual cues. This setup mirrors how humans reason through real-world physical processes over time. To ensure fine-grained evaluation, we introduce a graph-based CoT consistency metric that verifies whether the reasoning path of model adheres to valid physical logic. Additionally, we minimize shortcut exploitation from text priors, encouraging models to rely on visual understanding. Experimental results reveal a concerning trend: even cutting-edge MLLMs exhibit poor visual reasoning accuracy and weak image-text alignment in physical domains. Surprisingly, RL-based post-training alignment - commonly believed to improve visual reasoning performance - often harms spatial reasoning, suggesting a need to rethink current fine-tuning practices.

  • 8 authors
·
May 29, 2025

CausalTime: Realistically Generated Time-series for Benchmarking of Causal Discovery

Time-series causal discovery (TSCD) is a fundamental problem of machine learning. However, existing synthetic datasets cannot properly evaluate or predict the algorithms' performance on real data. This study introduces the CausalTime pipeline to generate time-series that highly resemble the real data and with ground truth causal graphs for quantitative performance evaluation. The pipeline starts from real observations in a specific scenario and produces a matching benchmark dataset. Firstly, we harness deep neural networks along with normalizing flow to accurately capture realistic dynamics. Secondly, we extract hypothesized causal graphs by performing importance analysis on the neural network or leveraging prior knowledge. Thirdly, we derive the ground truth causal graphs by splitting the causal model into causal term, residual term, and noise term. Lastly, using the fitted network and the derived causal graph, we generate corresponding versatile time-series proper for algorithm assessment. In the experiments, we validate the fidelity of the generated data through qualitative and quantitative experiments, followed by a benchmarking of existing TSCD algorithms using these generated datasets. CausalTime offers a feasible solution to evaluating TSCD algorithms in real applications and can be generalized to a wide range of fields. For easy use of the proposed approach, we also provide a user-friendly website, hosted on www.causaltime.cc.

  • 6 authors
·
Oct 2, 2023

Causal Graph based Event Reasoning using Semantic Relation Experts

Understanding how events in a scenario causally connect with each other is important for effectively modeling and reasoning about events. But event reasoning remains a difficult challenge, and despite recent advances, Large Language Models (LLMs) still struggle to accurately identify causal connections between events. This struggle leads to poor performance on deeper reasoning tasks like event forecasting and timeline understanding. To address this challenge, we investigate the generation of causal event graphs (e.g., A enables B) as a parallel mechanism to help LLMs explicitly represent causality during inference. This paper evaluates both how to generate correct graphs as well as how graphs can assist reasoning. We propose a collaborative approach to causal graph generation where we use LLMs to simulate experts that focus on specific semantic relations. The experts engage in multiple rounds of discussions which are then consolidated by a final expert. Then, to demonstrate the utility of causal graphs, we use them on multiple downstream applications, and also introduce a new explainable event prediction task that requires a causal chain of events in the explanation. These explanations are more informative and coherent than baseline generations. Finally, our overall approach not finetuned on any downstream task, achieves competitive results with state-of-the-art models on both forecasting and next event prediction tasks.

  • 6 authors
·
Jun 6, 2025

Asymmetric Graph Error Control with Low Complexity in Causal Bandits

In this paper, the causal bandit problem is investigated, in which the objective is to select an optimal sequence of interventions on nodes in a causal graph. It is assumed that the graph is governed by linear structural equations; it is further assumed that both the causal topology and the distribution of interventions are unknown. By exploiting the causal relationships between the nodes whose signals contribute to the reward, interventions are optimized. First, based on the difference between the two types of graph identification errors (false positives and negatives), a causal graph learning method is proposed, which strongly reduces sample complexity relative to the prior art by learning sub-graphs. Under the assumption of Gaussian exogenous inputs and minimum-mean squared error weight estimation, a new uncertainty bound tailored to the causal bandit problem is derived. This uncertainty bound drives an upper confidence bound based intervention selection to optimize the reward. To cope with non-stationary bandits, a sub-graph change detection mechanism is proposed, with high sample efficiency. Numerical results compare the new methodology to existing schemes and show a substantial performance improvement in both stationary and non-stationary settings. Compared to existing approaches, the proposed scheme takes 67% fewer samples to learn the causal structure and achieves an average reward gain of 85%.

  • 3 authors
·
Aug 20, 2024

Temporal Graph Analysis with TGX

Real-world networks, with their evolving relations, are best captured as temporal graphs. However, existing software libraries are largely designed for static graphs where the dynamic nature of temporal graphs is ignored. Bridging this gap, we introduce TGX, a Python package specially designed for analysis of temporal networks that encompasses an automated pipeline for data loading, data processing, and analysis of evolving graphs. TGX provides access to eleven built-in datasets and eight external Temporal Graph Benchmark (TGB) datasets as well as any novel datasets in the .csv format. Beyond data loading, TGX facilitates data processing functionalities such as discretization of temporal graphs and node subsampling to accelerate working with larger datasets. For comprehensive investigation, TGX offers network analysis by providing a diverse set of measures, including average node degree and the evolving number of nodes and edges per timestamp. Additionally, the package consolidates meaningful visualization plots indicating the evolution of temporal patterns, such as Temporal Edge Appearance (TEA) and Temporal Edge Trafficc (TET) plots. The TGX package is a robust tool for examining the features of temporal graphs and can be used in various areas like studying social networks, citation networks, and tracking user interactions. We plan to continuously support and update TGX based on community feedback. TGX is publicly available on: https://github.com/ComplexData-MILA/TGX.

  • 5 authors
·
Feb 5, 2024

Causal de Finetti: On the Identification of Invariant Causal Structure in Exchangeable Data

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.

  • 4 authors
·
Mar 29, 2022

Bootstrap aggregation and confidence measures to improve time series causal discovery

Learning causal graphs from multivariate time series is a ubiquitous challenge in all application domains dealing with time-dependent systems, such as in Earth sciences, biology, or engineering, to name a few. Recent developments for this causal discovery learning task have shown considerable skill, notably the specific time-series adaptations of the popular conditional independence-based learning framework. However, uncertainty estimation is challenging for conditional independence-based methods. Here, we introduce a novel bootstrap approach designed for time series causal discovery that preserves the temporal dependencies and lag structure. It can be combined with a range of time series causal discovery methods and provides a measure of confidence for the links of the time series graphs. Furthermore, next to confidence estimation, an aggregation, also called bagging, of the bootstrapped graphs by majority voting results in bagged causal discovery methods. In this work, we combine this approach with the state-of-the-art conditional-independence-based algorithm PCMCI+. With extensive numerical experiments we empirically demonstrate that, in addition to providing confidence measures for links, Bagged-PCMCI+ improves in precision and recall as compared to its base algorithm PCMCI+, at the cost of higher computational demands. These statistical performance improvements are especially pronounced in the more challenging settings (short time sample size, large number of variables, high autocorrelation). Our bootstrap approach can also be combined with other time series causal discovery algorithms and can be of considerable use in many real-world applications.

  • 4 authors
·
Jun 15, 2023

Teaching Transformers Causal Reasoning through Axiomatic Training

For text-based AI systems to interact in the real world, causal reasoning is an essential skill. Since interventional data is costly to generate, we study to what extent an agent can learn causal reasoning from passive data. Specifically, we consider an axiomatic training setup where an agent learns from multiple demonstrations of a causal axiom (or rule), rather than incorporating the axiom as an inductive bias or inferring it from data values. A key question is whether the agent would learn to generalize from the axiom demonstrations to new scenarios. For example, if a transformer model is trained on demonstrations of the causal transitivity axiom over small graphs, would it generalize to applying the transitivity axiom over large graphs? Our results, based on a novel axiomatic training scheme, indicate that such generalization is possible. We consider the task of inferring whether a variable causes another variable, given a causal graph structure. We find that a 67 million parameter transformer model, when trained on linear causal chains (along with some noisy variations) can generalize well to new kinds of graphs, including longer causal chains, causal chains with reversed order, and graphs with branching; even when it is not explicitly trained for such settings. Our model performs at par (or even better) than many larger language models such as GPT-4, Gemini Pro, and Phi-3. Overall, our axiomatic training framework provides a new paradigm of learning causal reasoning from passive data that can be used to learn arbitrary axioms, as long as sufficient demonstrations can be generated.

  • 5 authors
·
Jul 10, 2024

Causally Fair Node Classification on Non-IID Graph Data

Fair machine learning seeks to identify and mitigate biases in predictions against unfavorable populations characterized by demographic attributes, such as race and gender. Recently, a few works have extended fairness to graph data, such as social networks, but most of them neglect the causal relationships among data instances. This paper addresses the prevalent challenge in fairness-aware ML algorithms, which typically assume Independent and Identically Distributed (IID) data. We tackle the overlooked domain of non-IID, graph-based settings where data instances are interconnected, influencing the outcomes of fairness interventions. We base our research on the Network Structural Causal Model (NSCM) framework and posit two main assumptions: Decomposability and Graph Independence, which enable the computation of interventional distributions in non-IID settings using the do-calculus. Based on that, we develop the Message Passing Variational Autoencoder for Causal Inference (MPVA) to compute interventional distributions and facilitate causally fair node classification through estimated interventional distributions. Empirical evaluations on semi-synthetic and real-world datasets demonstrate that MPVA outperforms conventional methods by effectively approximating interventional distributions and mitigating bias. The implications of our findings underscore the potential of causality-based fairness in complex ML applications, setting the stage for further research into relaxing the initial assumptions to enhance model fairness.

  • 5 authors
·
May 2, 2025

Towards Data-centric Machine Learning on Directed Graphs: a Survey

In recent years, Graph Neural Networks (GNNs) have made significant advances in processing structured data. However, most of them primarily adopted a model-centric approach, which simplifies graphs by converting them into undirected formats and emphasizes model designs. This approach is inherently limited in real-world applications due to the unavoidable information loss in simple undirected graphs and the model optimization challenges that arise when exceeding the upper bounds of this sub-optimal data representational capacity. As a result, there has been a shift toward data-centric methods that prioritize improving graph quality and representation. Specifically, various types of graphs can be derived from naturally structured data, including heterogeneous graphs, hypergraphs, and directed graphs. Among these, directed graphs offer distinct advantages in topological systems by modeling causal relationships, and directed GNNs have been extensively studied in recent years. However, a comprehensive survey of this emerging topic is still lacking. Therefore, we aim to provide a comprehensive review of directed graph learning, with a particular focus on a data-centric perspective. Specifically, we first introduce a novel taxonomy for existing studies. Subsequently, we re-examine these methods from the data-centric perspective, with an emphasis on understanding and improving data representation. It demonstrates that a deep understanding of directed graphs and their quality plays a crucial role in model performance. Additionally, we explore the diverse applications of directed GNNs across 10+ domains, highlighting their broad applicability. Finally, we identify key opportunities and challenges within the field, offering insights that can guide future research and development in directed graph learning.

  • 6 authors
·
Nov 28, 2024

Temporal Causal-based Simulation for Realistic Time-series Generation

Causal Discovery plays a pivotal role in revealing relationships among observed variables, particularly in the temporal setup. While the majority of CD methods rely on synthetic data for evaluation, and recently for training, these fall short in accurately mirroring real-world scenarios; an effect even more evident in temporal data. Generation techniques depending on simplified assumptions on causal structure, effects and time, limit the quality and diversity of the simulated data. In this work, we introduce Temporal Causal-based Simulation (TCS), a robust framework for generating realistic time-series data and their associated temporal causal graphs. The approach is structured in three phases: estimating the true lagged causal structure of the data, approximating the functional dependencies between variables and learning the noise distribution of the corresponding causal model, each part of which can be explicitly tailored based on data assumptions and characteristics. Through an extensive evaluation process, we highlight that single detection methods for generated data discrimination prove inadequate, accentuating it as a multifaceted challenge. For this, we detail a Min-max optimization phase that draws on AutoML techniques. Our contributions include a flexible, model-agnostic pipeline for generating realistic temporal causal data, a thorough evaluation setup which enhances the validity of the generated datasets and insights into the challenges posed by realistic data generation. Through experiments involving not only real but also semi-synthetic and purely synthetic datasets, we demonstrate that while sampling realistic causal data remains a complex task, our method enriches the domain of generating sensible causal-based temporal data.

  • 7 authors
·
Jun 2, 2025

LINA: Learning INterventions Adaptively for Physical Alignment and Generalization in Diffusion Models

Diffusion models (DMs) have achieved remarkable success in image and video generation. However, they still struggle with (1) physical alignment and (2) out-of-distribution (OOD) instruction following. We argue that these issues stem from the models' failure to learn causal directions and to disentangle causal factors for novel recombination. We introduce the Causal Scene Graph (CSG) and the Physical Alignment Probe (PAP) dataset to enable diagnostic interventions. This analysis yields three key insights. First, DMs struggle with multi-hop reasoning for elements not explicitly determined in the prompt. Second, the prompt embedding contains disentangled representations for texture and physics. Third, visual causal structure is disproportionately established during the initial, computationally limited denoising steps. Based on these findings, we introduce LINA (Learning INterventions Adaptively), a novel framework that learns to predict prompt-specific interventions, which employs (1) targeted guidance in the prompt and visual latent spaces, and (2) a reallocated, causality-aware denoising schedule. Our approach enforces both physical alignment and OOD instruction following in image and video DMs, achieving state-of-the-art performance on challenging causal generation tasks and the Winoground dataset. Our project page is at https://opencausalab.github.io/LINA.

  • 2 authors
·
Dec 15, 2025

The World Won't Stay Still: Programmable Evolution for Agent Benchmarks

LLM-powered tool-calling agents fulfill user requests by interacting with environments, querying data, and invoking tools in a multi-turn process. Yet, most existing benchmarks evaluate these systems under static environment interfaces, with fixed schemas and toolsets, making it difficult to assess how agents behave as environments evolves -- when capabilities are added, reorganized, or deprecated across successive environment versions. In this paper, we study structured environment evolution as a benchmark-construction problem for tool-calling agents. We propose ProEvolve, a graph-based framework that makes environment evolution programmable. At its core, a typed relational graph provides a unified, explicit representation of the environment - data, tools, and schema. Under this formalism, adding, removing, or modifying capabilities are expressed as graph transformations that coherently propagate updates across tools, schemas, and data access. Building on this, ProEvolve supports (1) automatic generation of evolved executable environments through explicit graph transformations, and (2) graph-grounded construction of task sandboxes via subgraph sampling and instantiation. We validate ProEvolve in two tool-calling domains, e-commerce and airline booking, in terms of quality, implementation validity, and failure modes. Finally, we use the generated benchmark as a downstream diagnostic to study how representative agents behave under structured environment evolution.

  • 14 authors
·
May 18

Causal Analysis for Robust Interpretability of Neural Networks

Interpreting the inner function of neural networks is crucial for the trustworthy development and deployment of these black-box models. Prior interpretability methods focus on correlation-based measures to attribute model decisions to individual examples. However, these measures are susceptible to noise and spurious correlations encoded in the model during the training phase (e.g., biased inputs, model overfitting, or misspecification). Moreover, this process has proven to result in noisy and unstable attributions that prevent any transparent understanding of the model's behavior. In this paper, we develop a robust interventional-based method grounded by causal analysis to capture cause-effect mechanisms in pre-trained neural networks and their relation to the prediction. Our novel approach relies on path interventions to infer the causal mechanisms within hidden layers and isolate relevant and necessary information (to model prediction), avoiding noisy ones. The result is task-specific causal explanatory graphs that can audit model behavior and express the actual causes underlying its performance. We apply our method to vision models trained on classification tasks. On image classification tasks, we provide extensive quantitative experiments to show that our approach can capture more stable and faithful explanations than standard attribution-based methods. Furthermore, the underlying causal graphs reveal the neural interactions in the model, making it a valuable tool in other applications (e.g., model repair).

  • 5 authors
·
May 15, 2023

EvolveGCN: Evolving Graph Convolutional Networks for Dynamic Graphs

Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at https://github.com/IBM/EvolveGCN.

  • 9 authors
·
Feb 26, 2019

Large Causal Models from Large Language Models

We introduce a new paradigm for building large causal models (LCMs) that exploits the enormous potential latent in today's large language models (LLMs). We describe our ongoing experiments with an implemented system called DEMOCRITUS (Decentralized Extraction of Manifold Ontologies of Causal Relations Integrating Topos Universal Slices) aimed at building, organizing, and visualizing LCMs that span disparate domains extracted from carefully targeted textual queries to LLMs. DEMOCRITUS is methodologically distinct from traditional narrow domain and hypothesis centered causal inference that builds causal models from experiments that produce numerical data. A high-quality LLM is used to propose topics, generate causal questions, and extract plausible causal statements from a diverse range of domains. The technical challenge is then to take these isolated, fragmented, potentially ambiguous and possibly conflicting causal claims, and weave them into a coherent whole, converting them into relational causal triples and embedding them into a LCM. Addressing this technical challenge required inventing new categorical machine learning methods, which we can only briefly summarize in this paper, as it is focused more on the systems side of building DEMOCRITUS. We describe the implementation pipeline for DEMOCRITUS comprising of six modules, examine its computational cost profile to determine where the current bottlenecks in scaling the system to larger models. We describe the results of using DEMOCRITUS over a wide range of domains, spanning archaeology, biology, climate change, economics, medicine and technology. We discuss the limitations of the current DEMOCRITUS system, and outline directions for extending its capabilities.

  • 1 authors
·
Dec 8, 2025

Piecewise-Velocity Model for Learning Continuous-time Dynamic Node Representations

Networks have become indispensable and ubiquitous structures in many fields to model the interactions among different entities, such as friendship in social networks or protein interactions in biological graphs. A major challenge is to understand the structure and dynamics of these systems. Although networks evolve through time, most existing graph representation learning methods target only static networks. Whereas approaches have been developed for the modeling of dynamic networks, there is a lack of efficient continuous time dynamic graph representation learning methods that can provide accurate network characterization and visualization in low dimensions while explicitly accounting for prominent network characteristics such as homophily and transitivity. In this paper, we propose the Piecewise-Velocity Model (PiVeM) for the representation of continuous-time dynamic networks. It learns dynamic embeddings in which the temporal evolution of nodes is approximated by piecewise linear interpolations based on a latent distance model with piecewise constant node-specific velocities. The model allows for analytically tractable expressions of the associated Poisson process likelihood with scalable inference invariant to the number of events. We further impose a scalable Kronecker structured Gaussian Process prior to the dynamics accounting for community structure, temporal smoothness, and disentangled (uncorrelated) latent embedding dimensions optimally learned to characterize the network dynamics. We show that PiVeM can successfully represent network structure and dynamics in ultra-low two-dimensional spaces. It outperforms relevant state-of-art methods in downstream tasks such as link prediction. In summary, PiVeM enables easily interpretable dynamic network visualizations and characterizations that can further improve our understanding of the intrinsic dynamics of time-evolving networks.

  • 3 authors
·
Dec 23, 2022

THE-Tree: Can Tracing Historical Evolution Enhance Scientific Verification and Reasoning?

Large Language Models (LLMs) are accelerating scientific idea generation, but rigorously evaluating these numerous, often superficial, AI-generated propositions for novelty and factual accuracy is a critical bottleneck; manual verification is too slow. Existing validation methods are inadequate: LLMs as standalone verifiers may hallucinate and lack domain knowledge (our findings show 60% unawareness of relevant papers in specific domains), while traditional citation networks lack explicit causality and narrative surveys are unstructured. This underscores a core challenge: the absence of structured, verifiable, and causally-linked historical data of scientific evolution.To address this,we introduce THE-Tree (Technology History Evolution Tree), a computational framework that constructs such domain-specific evolution trees from scientific literature. THE-Tree employs a search algorithm to explore evolutionary paths. During its node expansion, it utilizes a novel "Think-Verbalize-Cite-Verify" process: an LLM proposes potential advancements and cites supporting literature. Critically, each proposed evolutionary link is then validated for logical coherence and evidential support by a recovered natural language inference mechanism that interrogates the cited literature, ensuring that each step is grounded. We construct and validate 88 THE-Trees across diverse domains and release a benchmark dataset including up to 71k fact verifications covering 27k papers to foster further research. Experiments demonstrate that i) in graph completion, our THE-Tree improves hit@1 by 8% to 14% across multiple models compared to traditional citation networks; ii) for predicting future scientific developments, it improves hit@1 metric by nearly 10%; and iii) when combined with other methods, it boosts the performance of evaluating important scientific papers by almost 100%.

  • 8 authors
·
Jun 26, 2025

Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations

Generating graph-structured data requires learning the underlying distribution of graphs. Yet, this is a challenging problem, and the previous graph generative methods either fail to capture the permutation-invariance property of graphs or cannot sufficiently model the complex dependency between nodes and edges, which is crucial for generating real-world graphs such as molecules. To overcome such limitations, we propose a novel score-based generative model for graphs with a continuous-time framework. Specifically, we propose a new graph diffusion process that models the joint distribution of the nodes and edges through a system of stochastic differential equations (SDEs). Then, we derive novel score matching objectives tailored for the proposed diffusion process to estimate the gradient of the joint log-density with respect to each component, and introduce a new solver for the system of SDEs to efficiently sample from the reverse diffusion process. We validate our graph generation method on diverse datasets, on which it either achieves significantly superior or competitive performance to the baselines. Further analysis shows that our method is able to generate molecules that lie close to the training distribution yet do not violate the chemical valency rule, demonstrating the effectiveness of the system of SDEs in modeling the node-edge relationships. Our code is available at https://github.com/harryjo97/GDSS.

  • 3 authors
·
Feb 5, 2022

Causal-Copilot: An Autonomous Causal Analysis Agent

Causal analysis plays a foundational role in scientific discovery and reliable decision-making, yet it remains largely inaccessible to domain experts due to its conceptual and algorithmic complexity. This disconnect between causal methodology and practical usability presents a dual challenge: domain experts are unable to leverage recent advances in causal learning, while causal researchers lack broad, real-world deployment to test and refine their methods. To address this, we introduce Causal-Copilot, an autonomous agent that operationalizes expert-level causal analysis within a large language model framework. Causal-Copilot automates the full pipeline of causal analysis for both tabular and time-series data -- including causal discovery, causal inference, algorithm selection, hyperparameter optimization, result interpretation, and generation of actionable insights. It supports interactive refinement through natural language, lowering the barrier for non-specialists while preserving methodological rigor. By integrating over 20 state-of-the-art causal analysis techniques, our system fosters a virtuous cycle -- expanding access to advanced causal methods for domain experts while generating rich, real-world applications that inform and advance causal theory. Empirical evaluations demonstrate that Causal-Copilot achieves superior performance compared to existing baselines, offering a reliable, scalable, and extensible solution that bridges the gap between theoretical sophistication and real-world applicability in causal analysis. A live interactive demo of Causal-Copilot is available at https://causalcopilot.com/.

  • 13 authors
·
Apr 17, 2025 2

Causal Inference by String Diagram Surgery

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

  • 3 authors
·
Nov 20, 2018

Beyond Blame: Rethinking SZZ with Knowledge Graph Search

Identifying Bug-Inducing Commits (BICs) is fundamental for understanding software defects and enabling downstream tasks such as defect prediction and automated program repair. Yet existing SZZ-based approaches are limited by their reliance on git blame, which restricts the search space to commits that directly modified the fixed lines. Our preliminary study on 2,102 validated bug-fixing commits reveals that this limitation is significant: over 40% of cases cannot be solved by blame alone, as 28% of BICs require traversing commit history beyond blame results and 14% are blameless. We present AgenticSZZ, the first approach to apply Temporal Knowledge Graphs (TKGs) to software evolution analysis. AgenticSZZ reframes BIC identification from a ranking problem over blame commits into a graph search problem, where temporal ordering is fundamental to causal reasoning about bug introduction. The approach operates in two phases: (1) constructing a TKG that encodes commits with temporal and structural relationships, expanding the search space by traversing file history backward from two reference points (blame commits and the BFC); and (2) leveraging an LLM agent to navigate the graph using specialized tools for candidate exploration and causal analysis. Evaluation on three datasets shows that AgenticSZZ achieves F1-scores of 0.48 to 0.74, with statistically significant improvements over state-of-the-art by up to 27%. Our ablation study confirms that both components are essential, reflecting a classic exploration-exploitation trade-off: the TKG expands the search space while the agent provides intelligent selection. By transforming BIC identification into a graph search problem, we open a new research direction for temporal and causal reasoning in software evolution analysis.

  • 4 authors
·
Feb 2

Quantum-enhanced causal discovery for a small number of samples

The discovery of causal relations from observed data has attracted significant interest from disciplines such as economics, social sciences, and biology. In practical applications, considerable knowledge of the underlying systems is often unavailable, and real data are usually associated with nonlinear causal structures, which makes the direct use of most conventional causality analysis methods difficult. This study proposes a novel quantum Peter-Clark (qPC) algorithm for causal discovery that does not require any assumptions about the underlying model structures. Based on conditional independence tests in a class of reproducing kernel Hilbert spaces characterized by quantum circuits, the proposed algorithm can explore causal relations from the observed data drawn from arbitrary distributions. We conducted systematic experiments on fundamental graphs of causal structures, demonstrating that the qPC algorithm exhibits better performance, particularly with smaller sample sizes compared to its classical counterpart. Furthermore, we proposed a novel optimization approach based on Kernel Target Alignment (KTA) for determining hyperparameters of quantum kernels. This method effectively reduced the risk of false positives in causal discovery, enabling more reliable inference. Our theoretical and experimental results demonstrate that the quantum algorithm can empower classical algorithms for accurate inference in causal discovery, supporting them in regimes where classical algorithms typically fail. In addition, the effectiveness of this method was validated using the datasets on Boston housing prices, heart disease, and biological signaling systems as real-world applications. These findings highlight the potential of quantum-based causal discovery methods in addressing practical challenges, particularly in small-sample scenarios, where traditional approaches have shown significant limitations.

  • 6 authors
·
Jan 9, 2025

TabCausal: Pretraining Across Causal Environments for Tabular Causal Discovery

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.

  • 4 authors
·
May 28

The Causally Emergent Alignment Hypothesis: Causal Emergence Aligns with and Predicts Final Reward in Reinforcement Learning Agents

A hallmark of life on Earth is the ability of agents to exert causal power and be drivers of subsequent events. This is key to cognition at all scales. Causal emergence, measuring the degree to which an agent exerts unique predictive power on its future, is one consequence of causal power. Indeed, recent discoveries have shown that biological agents, even minimal ones, increase their causal emergence after learning new memories. However, there is a major knowledge gap regarding how causally emergent artificial agents are. We focused on Reinforcement Learning (RL) of neural-network agents across an array of environmental conditions, encompassing different algorithms, agent architectures, and six environments arranged on a complexity spectrum. For consistency, we computed the causal emergence of their latent-space representations over their lifetimes. We used the recently proposed ΦID to estimate causal emergence and tested how it related to learning performance. Our results suggested a Causally Emergent Alignment Hypothesis: successful agents exhibited causal emergence that was consistently predictive of final reward early in training and whose representational dynamics aligned with reward improvement in most tasks. This idea suggests that causal emergence may be a previously undisclosed axis of reorganization of neural representations in RL agents, with the potential to establish causal relationships and interventions that will lead to better RL agents. Our work also highlights the alignment between causal emergence and learning as another way biological and artificial creatures compare.

  • 2 authors
·
May 6

CDFM: Towards a General-Purpose Causal Discovery Foundation Model

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.

  • 9 authors
·
Jul 12

COKE: Causal Discovery with Chronological Order and Expert Knowledge in High Proportion of Missing Manufacturing Data

Understanding causal relationships between machines is crucial for fault diagnosis and optimization in manufacturing processes. Real-world datasets frequently exhibit up to 90% missing data and high dimensionality from hundreds of sensors. These datasets also include domain-specific expert knowledge and chronological order information, reflecting the recording order across different machines, which is pivotal for discerning causal relationships within the manufacturing data. However, previous methods for handling missing data in scenarios akin to real-world conditions have not been able to effectively utilize expert knowledge. Conversely, prior methods that can incorporate expert knowledge struggle with datasets that exhibit missing values. Therefore, we propose COKE to construct causal graphs in manufacturing datasets by leveraging expert knowledge and chronological order among sensors without imputing missing data. Utilizing the characteristics of the recipe, we maximize the use of samples with missing values, derive embeddings from intersections with an initial graph that incorporates expert knowledge and chronological order, and create a sensor ordering graph. The graph-generating process has been optimized by an actor-critic architecture to obtain a final graph that has a maximum reward. Experimental evaluations in diverse settings of sensor quantities and missing proportions demonstrate that our approach compared with the benchmark methods shows an average improvement of 39.9% in the F1-score. Moreover, the F1-score improvement can reach 62.6% when considering the configuration similar to real-world datasets, and 85.0% in real-world semiconductor datasets. The source code is available at https://github.com/OuTingYun/COKE.

  • 3 authors
·
Jul 16, 2024

Experimental Evaluation of ROS-Causal in Real-World Human-Robot Spatial Interaction Scenarios

Deploying robots in human-shared environments requires a deep understanding of how nearby agents and objects interact. Employing causal inference to model cause-and-effect relationships facilitates the prediction of human behaviours and enables the anticipation of robot interventions. However, a significant challenge arises due to the absence of implementation of existing causal discovery methods within the ROS ecosystem, the standard de-facto framework in robotics, hindering effective utilisation on real robots. To bridge this gap, in our previous work we proposed ROS-Causal, a ROS-based framework designed for onboard data collection and causal discovery in human-robot spatial interactions. In this work, we present an experimental evaluation of ROS-Causal both in simulation and on a new dataset of human-robot spatial interactions in a lab scenario, to assess its performance and effectiveness. Our analysis demonstrates the efficacy of this approach, showcasing how causal models can be extracted directly onboard by robots during data collection. The online causal models generated from the simulation are consistent with those from lab experiments. These findings can help researchers to enhance the performance of robotic systems in shared environments, firstly by studying the causal relations between variables in simulation without real people, and then facilitating the actual robot deployment in real human environments. ROS-Causal: https://lcastri.github.io/roscausal

  • 5 authors
·
Jun 7, 2024

CausalDS: Benchmarking Causal Reasoning in Data-Science Agents

Large language models (LLMs) increasingly act as integrated data-science agents, combining abstract reasoning with advanced tool use. Yet the relevant benchmark landscape largely divides into symbolic causal reasoning benchmarks without realistic data analysis or data analysis benchmarks without a principled causal data-generating structure. Furthermore, existing causal evaluation datasets are often restricted to curated examples from existing sources, with diversity coming from limited templatized variations rather than from systematic generation of novel synthetic causal structures. We introduce CausalDS, a benchmark for evaluating causal reasoning in agentic data-science workflows. Each benchmark instance is a scene consisting of a sampled structural causal model (SCM) with generated observational data and an accompanying synthetic natural-language story grounded in a realistic domain. We optionally ground the composition of the benchmark components in empirical distributions obtained from real-world datasets, thus retaining empirical structure while reducing the "causal parrot" risk through completely synthetic generation. From each scene, we then derive tasks spanning all three of Pearl's rungs, with typical data-science prediction tasks appearing as Rung 1. Most tasks include a data science coding component, where the model typically needs to use several tools to arrive at the final answer due to the frequent presence of imperfect observations, which are generated by an observation model. Additionally, recognizing when a question admits no warranted answer and abstaining is treated as a first-class scored outcome. The benchmark thus jointly evaluates symbolic causal reasoning, data science, uncertainty quantification, abstention, and tool use/coding.

From Graphs to Hypergraphs: Hypergraph Projection and its Remediation

We study the implications of the modeling choice to use a graph, instead of a hypergraph, to represent real-world interconnected systems whose constituent relationships are of higher order by nature. Such a modeling choice typically involves an underlying projection process that maps the original hypergraph onto a graph, and is common in graph-based analysis. While hypergraph projection can potentially lead to loss of higher-order relations, there exists very limited studies on the consequences of doing so, as well as its remediation. This work fills this gap by doing two things: (1) we develop analysis based on graph and set theory, showing two ubiquitous patterns of hyperedges that are root to structural information loss in all hypergraph projections; we also quantify the combinatorial impossibility of recovering the lost higher-order structures if no extra help is provided; (2) we still seek to recover the lost higher-order structures in hypergraph projection, and in light of (1)'s findings we propose to relax the problem into a learning-based setting. Under this setting, we develop a learning-based hypergraph reconstruction method based on an important statistic of hyperedge distributions that we find. Our reconstruction method is evaluated on 8 real-world datasets under different settings, and exhibits consistently good performance. We also demonstrate benefits of the reconstructed hypergraphs via use cases of protein rankings and link predictions.

  • 2 authors
·
Jan 16, 2024

Causal Discovery from Heterogeneous/Nonstationary Data with Independent Changes

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.

  • 7 authors
·
Mar 5, 2019

Persistent homology of the cosmic web. I: Hierarchical topology in ΛCDM cosmologies

Using a set of LambdaCDM simulations of cosmic structure formation, we study the evolving connectivity and changing topological structure of the cosmic web using state-of-the-art tools of multiscale topological data analysis (TDA). We follow the development of the cosmic web topology in terms of the evolution of Betti number curves and feature persistence diagrams of the three (topological) classes of structural features: matter concentrations, filaments and tunnels, and voids. The Betti curves specify the prominence of features as a function of density level, and their evolution with cosmic epoch reflects the changing network connections between these structural features. The persistence diagrams quantify the longevity and stability of topological features. In this study we establish, for the first time, the link between persistence diagrams, the features they show, and the gravitationally driven cosmic structure formation process. By following the diagrams' development over cosmic time, the link between the multiscale topology of the cosmic web and the hierarchical buildup of cosmic structure is established. The sharp apexes in the diagrams are intimately related to key transitions in the structure formation process. The apex in the matter concentration diagrams coincides with the density level at which, typically, they detach from the Hubble expansion and begin to collapse. At that level many individual islands merge to form the network of the cosmic web and a large number of filaments and tunnels emerge to establish its connecting bridges. The location trends of the apex possess a self-similar character that can be related to the cosmic web's hierarchical buildup. We find that persistence diagrams provide a significantly higher and more profound level of information on the structure formation process than more global summary statistics like Euler characteristic or Betti numbers.

  • 8 authors
·
Nov 25, 2020

Accelerating Scientific Discovery with Generative Knowledge Extraction, Graph-Based Representation, and Multimodal Intelligent Graph Reasoning

Leveraging generative Artificial Intelligence (AI), we have transformed a dataset comprising 1,000 scientific papers into an ontological knowledge graph. Through an in-depth structural analysis, we have calculated node degrees, identified communities and connectivities, and evaluated clustering coefficients and betweenness centrality of pivotal nodes, uncovering fascinating knowledge architectures. The graph has an inherently scale-free nature, is highly connected, and can be used for graph reasoning by taking advantage of transitive and isomorphic properties that reveal unprecedented interdisciplinary relationships that can be used to answer queries, identify gaps in knowledge, propose never-before-seen material designs, and predict material behaviors. We compute deep node embeddings for combinatorial node similarity ranking for use in a path sampling strategy links dissimilar concepts that have previously not been related. One comparison revealed structural parallels between biological materials and Beethoven's 9th Symphony, highlighting shared patterns of complexity through isomorphic mapping. In another example, the algorithm proposed a hierarchical mycelium-based composite based on integrating path sampling with principles extracted from Kandinsky's 'Composition VII' painting. The resulting material integrates an innovative set of concepts that include a balance of chaos/order, adjustable porosity, mechanical strength, and complex patterned chemical functionalization. We uncover other isomorphisms across science, technology and art, revealing a nuanced ontology of immanence that reveal a context-dependent heterarchical interplay of constituents. Graph-based generative AI achieves a far higher degree of novelty, explorative capacity, and technical detail, than conventional approaches and establishes a widely useful framework for innovation by revealing hidden connections.

  • 1 authors
·
Mar 18, 2024

EvoGit: Decentralized Code Evolution via Git-Based Multi-Agent Collaboration

We introduce EvoGit, a decentralized multi-agent framework for collaborative software development driven by autonomous code evolution. EvoGit deploys a population of independent coding agents, each proposing edits to a shared codebase without centralized coordination, explicit message passing, or shared memory. Instead, all coordination emerges through a Git-based phylogenetic graph that tracks the full version lineage and enables agents to asynchronously read from and write to the evolving code repository. This graph-based structure supports fine-grained branching, implicit concurrency, and scalable agent interaction while preserving a consistent historical record. Human involvement is minimal but strategic: users define high-level goals, periodically review the graph, and provide lightweight feedback to promote promising directions or prune unproductive ones. Experiments demonstrate EvoGit's ability to autonomously produce functional and modular software artifacts across two real-world tasks: (1) building a web application from scratch using modern frameworks, and (2) constructing a meta-level system that evolves its own language-model-guided solver for the bin-packing optimization problem. Our results underscore EvoGit's potential to establish a new paradigm for decentralized, automated, and continual software development. EvoGit is open-sourced at https://github.com/BillHuang2001/evogit.

  • 3 authors
·
Jun 1, 2025

AceMap: Knowledge Discovery through Academic Graph

The exponential growth of scientific literature requires effective management and extraction of valuable insights. While existing scientific search engines excel at delivering search results based on relational databases, they often neglect the analysis of collaborations between scientific entities and the evolution of ideas, as well as the in-depth analysis of content within scientific publications. The representation of heterogeneous graphs and the effective measurement, analysis, and mining of such graphs pose significant challenges. To address these challenges, we present AceMap, an academic system designed for knowledge discovery through academic graph. We present advanced database construction techniques to build the comprehensive AceMap database with large-scale academic entities that contain rich visual, textual, and numerical information. AceMap also employs innovative visualization, quantification, and analysis methods to explore associations and logical relationships among academic entities. AceMap introduces large-scale academic network visualization techniques centered on nebular graphs, providing a comprehensive view of academic networks from multiple perspectives. In addition, AceMap proposes a unified metric based on structural entropy to quantitatively measure the knowledge content of different academic entities. Moreover, AceMap provides advanced analysis capabilities, including tracing the evolution of academic ideas through citation relationships and concept co-occurrence, and generating concise summaries informed by this evolutionary process. In addition, AceMap uses machine reading methods to generate potential new ideas at the intersection of different fields. Exploring the integration of large language models and knowledge graphs is a promising direction for future research in idea evolution. Please visit https://www.acemap.info for further exploration.

  • 26 authors
·
Mar 4, 2024

CausalVerse: Benchmarking Causal Representation Learning with Configurable High-Fidelity Simulations

Causal Representation Learning (CRL) aims to uncover the data-generating process and identify the underlying causal variables and relations, whose evaluation remains inherently challenging due to the requirement of known ground-truth causal variables and causal structure. Existing evaluations often rely on either simplistic synthetic datasets or downstream performance on real-world tasks, generally suffering a dilemma between realism and evaluative precision. In this paper, we introduce a new benchmark for CRL using high-fidelity simulated visual data that retains both realistic visual complexity and, more importantly, access to ground-truth causal generating processes. The dataset comprises around 200 thousand images and 3 million video frames across 24 sub-scenes in four domains: static image generation, dynamic physical simulations, robotic manipulations, and traffic situation analysis. These scenarios range from static to dynamic settings, simple to complex structures, and single to multi-agent interactions, offering a comprehensive testbed that hopefully bridges the gap between rigorous evaluation and real-world applicability. In addition, we provide flexible access to the underlying causal structures, allowing users to modify or configure them to align with the required assumptions in CRL, such as available domain labels, temporal dependencies, or intervention histories. Leveraging this benchmark, we evaluated representative CRL methods across diverse paradigms and offered empirical insights to assist practitioners and newcomers in choosing or extending appropriate CRL frameworks to properly address specific types of real problems that can benefit from the CRL perspective. Welcome to visit our: Project page:https://causal-verse.github.io/, Dataset:https://huggingface.co/CausalVerse.

  • 7 authors
·
Oct 15, 2025

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

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

  • 6 authors
·
Aug 28, 2020

Simplicial Closure and higher-order link prediction

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.

  • 5 authors
·
Feb 19, 2018

A Survey of Reasoning and Agentic Systems in Time Series with Large Language Models

Time series reasoning treats time as a first-class axis and incorporates intermediate evidence directly into the answer. This survey defines the problem and organizes the literature by reasoning topology with three families: direct reasoning in one step, linear chain reasoning with explicit intermediates, and branch-structured reasoning that explores, revises, and aggregates. The topology is crossed with the main objectives of the field, including traditional time series analysis, explanation and understanding, causal inference and decision making, and time series generation, while a compact tag set spans these axes and captures decomposition and verification, ensembling, tool use, knowledge access, multimodality, agent loops, and LLM alignment regimes. Methods and systems are reviewed across domains, showing what each topology enables and where it breaks down in faithfulness or robustness, along with curated datasets, benchmarks, and resources that support study and deployment (https://github.com/blacksnail789521/Time-Series-Reasoning-Survey). Evaluation practices that keep evidence visible and temporally aligned are highlighted, and guidance is distilled on matching topology to uncertainty, grounding with observable artifacts, planning for shift and streaming, and treating cost and latency as design budgets. We emphasize that reasoning structures must balance capacity for grounding and self-correction against computational cost and reproducibility, while future progress will likely depend on benchmarks that tie reasoning quality to utility and on closed-loop testbeds that trade off cost and risk under shift-aware, streaming, and long-horizon settings. Taken together, these directions mark a shift from narrow accuracy toward reliability at scale, enabling systems that not only analyze but also understand, explain, and act on dynamic worlds with traceable evidence and credible outcomes.

  • 11 authors
·
Sep 15, 2025

ADAM: An Embodied Causal Agent in Open-World Environments

In open-world environments like Minecraft, existing agents face challenges in continuously learning structured knowledge, particularly causality. These challenges stem from the opacity inherent in black-box models and an excessive reliance on prior knowledge during training, which impair their interpretability and generalization capability. To this end, we introduce ADAM, An emboDied causal Agent in Minecraft, that can autonomously navigate the open world, perceive multimodal contexts, learn causal world knowledge, and tackle complex tasks through lifelong learning. ADAM is empowered by four key components: 1) an interaction module, enabling the agent to execute actions while documenting the interaction processes; 2) a causal model module, tasked with constructing an ever-growing causal graph from scratch, which enhances interpretability and diminishes reliance on prior knowledge; 3) a controller module, comprising a planner, an actor, and a memory pool, which uses the learned causal graph to accomplish tasks; 4) a perception module, powered by multimodal large language models, which enables ADAM to perceive like a human player. Extensive experiments show that ADAM constructs an almost perfect causal graph from scratch, enabling efficient task decomposition and execution with strong interpretability. Notably, in our modified Minecraft games where no prior knowledge is available, ADAM maintains its performance and shows remarkable robustness and generalization capability. ADAM pioneers a novel paradigm that integrates causal methods and embodied agents in a synergistic manner. Our project page is at https://opencausalab.github.io/ADAM.

OpenCausaLab OpenCausaLab
·
Oct 29, 2024

DeepVisualInsight: Time-Travelling Visualization for Spatio-Temporal Causality of Deep Classification Training

Understanding how the predictions of deep learning models are formed during the training process is crucial to improve model performance and fix model defects, especially when we need to investigate nontrivial training strategies such as active learning, and track the root cause of unexpected training results such as performance degeneration. In this work, we propose a time-travelling visual solution DeepVisualInsight (DVI), aiming to manifest the spatio-temporal causality while training a deep learning image classifier. The spatio-temporal causality demonstrates how the gradient-descent algorithm and various training data sampling techniques can influence and reshape the layout of learnt input representation and the classification boundaries in consecutive epochs. Such causality allows us to observe and analyze the whole learning process in the visible low dimensional space. Technically, we propose four spatial and temporal properties and design our visualization solution to satisfy them. These properties preserve the most important information when inverse-)projecting input samples between the visible low-dimensional and the invisible high-dimensional space, for causal analyses. Our extensive experiments show that, comparing to baseline approaches, we achieve the best visualization performance regarding the spatial/temporal properties and visualization efficiency. Moreover, our case study shows that our visual solution can well reflect the characteristics of various training scenarios, showing good potential of DVI as a debugging tool for analyzing deep learning training processes.

  • 7 authors
·
Dec 30, 2021

Dissecting the Failure of Invariant Learning on Graphs

Enhancing node-level Out-Of-Distribution (OOD) generalization on graphs remains a crucial area of research. In this paper, we develop a Structural Causal Model (SCM) to theoretically dissect the performance of two prominent invariant learning methods -- Invariant Risk Minimization (IRM) and Variance-Risk Extrapolation (VREx) -- in node-level OOD settings. Our analysis reveals a critical limitation: due to the lack of class-conditional invariance constraints, these methods may struggle to accurately identify the structure of the predictive invariant ego-graph and consequently rely on spurious features. To address this, we propose Cross-environment Intra-class Alignment (CIA), which explicitly eliminates spurious features by aligning cross-environment representations conditioned on the same class, bypassing the need for explicit knowledge of the causal pattern structure. To adapt CIA to node-level OOD scenarios where environment labels are hard to obtain, we further propose CIA-LRA (Localized Reweighting Alignment) that leverages the distribution of neighboring labels to selectively align node representations, effectively distinguishing and preserving invariant features while removing spurious ones, all without relying on environment labels. We theoretically prove CIA-LRA's effectiveness by deriving an OOD generalization error bound based on PAC-Bayesian analysis. Experiments on graph OOD benchmarks validate the superiority of CIA and CIA-LRA, marking a significant advancement in node-level OOD generalization. The codes are available at https://github.com/NOVAglow646/NeurIPS24-Invariant-Learning-on-Graphs.

  • 4 authors
·
Nov 5, 2024

Cultural evolution in populations of Large Language Models

Research in cultural evolution aims at providing causal explanations for the change of culture over time. Over the past decades, this field has generated an important body of knowledge, using experimental, historical, and computational methods. While computational models have been very successful at generating testable hypotheses about the effects of several factors, such as population structure or transmission biases, some phenomena have so far been more complex to capture using agent-based and formal models. This is in particular the case for the effect of the transformations of social information induced by evolved cognitive mechanisms. We here propose that leveraging the capacity of Large Language Models (LLMs) to mimic human behavior may be fruitful to address this gap. On top of being an useful approximation of human cultural dynamics, multi-agents models featuring generative agents are also important to study for their own sake. Indeed, as artificial agents are bound to participate more and more to the evolution of culture, it is crucial to better understand the dynamics of machine-generated cultural evolution. We here present a framework for simulating cultural evolution in populations of LLMs, allowing the manipulation of variables known to be important in cultural evolution, such as network structure, personality, and the way social information is aggregated and transformed. The software we developed for conducting these simulations is open-source and features an intuitive user-interface, which we hope will help to build bridges between the fields of cultural evolution and generative artificial intelligence.

  • 7 authors
·
Mar 13, 2024