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Jul 13

From Skills to Talent: Organising Heterogeneous Agents as a Real-World Company

Individual agent capabilities have advanced rapidly through modular skills and tool integrations, yet multi-agent systems remain constrained by fixed team structures, tightly coupled coordination logic, and session-bound learning. We argue that this reflects a deeper absence: a principled organisational layer that governs how a workforce of agents is assembled, governed, and improved over time, decoupled from what individual agents know. To fill this gap, we introduce OneManCompany (OMC), a framework that elevates multi-agent systems to the organisational level. OMC encapsulates skills, tools, and runtime configurations into portable agent identities called Talents, orchestrated through typed organisational interfaces that abstract over heterogeneous backends. A community-driven Talent Market enables on-demand recruitment, allowing the organisation to close capability gaps and reconfigure itself dynamically during execution. Organisational decision-making is operationalised through an Explore-Execute-Review (E^2R) tree search, which unifies planning, execution, and evaluation in a single hierarchical loop: tasks are decomposed top-down into accountable units and execution outcomes are aggregated bottom-up to drive systematic review and refinement. This loop provides formal guarantees on termination and deadlock freedom while mirroring the feedback mechanisms of human enterprises. Together, these contributions transform multi-agent systems from static, pre-configured pipelines into self-organising and self-improving AI organisations capable of adapting to open-ended tasks across diverse domains. Empirical evaluation on PRDBench shows that OMC achieves an 84.67% success rate, surpassing the state of the art by 15.48 percentage points, with cross-domain case studies further demonstrating its generality.

  • 8 authors
·
Apr 23 5

oMeBench: Towards Robust Benchmarking of LLMs in Organic Mechanism Elucidation and Reasoning

Organic reaction mechanisms are the stepwise elementary reactions by which reactants form intermediates and products, and are fundamental to understanding chemical reactivity and designing new molecules and reactions. Although large language models (LLMs) have shown promise in understanding chemical tasks such as synthesis design, it is unclear to what extent this reflects genuine chemical reasoning capabilities, i.e., the ability to generate valid intermediates, maintain chemical consistency, and follow logically coherent multi-step pathways. We address this by introducing oMeBench, the first large-scale, expert-curated benchmark for organic mechanism reasoning in organic chemistry. It comprises over 10,000 annotated mechanistic steps with intermediates, type labels, and difficulty ratings. Furthermore, to evaluate LLM capability more precisely and enable fine-grained scoring, we propose oMeS, a dynamic evaluation framework that combines step-level logic and chemical similarity. We analyze the performance of state-of-the-art LLMs, and our results show that although current models display promising chemical intuition, they struggle with correct and consistent multi-step reasoning. Notably, we find that using prompting strategy and fine-tuning a specialist model on our proposed dataset increases performance by 50% over the leading closed-source model. We hope that oMeBench will serve as a rigorous foundation for advancing AI systems toward genuine chemical reasoning.

  • 5 authors
·
Oct 8, 2025 5

Fast Organic Crystal Structure Prediction with Unit Cell Flow Matching

Organic crystal structure prediction (CSP) is a requirement for computational modelling of organic solids, but traditionally costs several CPU-years per molecule. Generative models such as OXtal dramatically reduce this cost by sampling stable organic crystal structures directly. However, OXtal forgoes explicit lattice parametrization in favour of modelling large crops of the bulk material with expensive triangle layers, which can incur a computational cost of minutes per molecule. In this paper, we reduce this to seconds with Clari, a large-scale flow matching model that generates redundancy-free unit cells and replaces triangle layers with pure pair-bias attention. Clari requires only atom types and bonds as input and does not need an RDKit-sanitizable input molecule, which expands its applicability to challenging chemistries such as fullerenes, metal complexes, and atom clusters. We further ablate key design choices such as auxiliary losses, timestep distributions, noise priors, and self-conditioning. On OXtal's test sets, we surpass OXtal's solve rate while obtaining a speedup of 15-30times. Because Clari also models explicit hydrogens, it supports inference-time scaling via direct energy ranking, without any decoration or relaxation step. When generating 150 crystals and selecting the top-30 by energy, we further improve solve rate while maintaining a speedup of 5-8times. We also introduce the CSD Teaching Subset as a new test split of diverse and complex molecules for future benchmarking. Our contributions enable CSP within seconds, making large-scale virtual screening of organic solids practical. Code is available at https://github.com/aspuru-guzik-group/clari.

  • 7 authors
·
Jun 1

OrgForge-IT: A Verifiable Synthetic Benchmark for LLM-Based Insider Threat Detection

Synthetic insider threat benchmarks face a consistency problem: corpora generated without an external factual constraint cannot rule out cross-artifact contradictions. The CERT dataset -- the field's canonical benchmark -- is also static, lacks cross-surface correlation scenarios, and predates the LLM era. We present OrgForge-IT, a verifiable synthetic benchmark in which a deterministic simulation engine maintains ground truth and language models generate only surface prose, making cross-artifact consistency an architectural guarantee. The corpus spans 51 simulated days, 2,904 telemetry records at a 96.4% noise rate, and four detection scenarios designed to defeat single-surface and single-day triage strategies across three threat classes and eight injectable behaviors. A ten-model leaderboard reveals several findings: (1) triage and verdict accuracy dissociate - eight models achieve identical triage F1=0.80 yet split between verdict F1=1.0 and 0.80; (2) baseline false-positive rate is a necessary companion to verdict F1, with models at identical verdict accuracy differing by two orders of magnitude on triage noise; (3) victim attribution in the vishing scenario separates tiers - Tier A models exonerate the compromised account holder while Tier B models detect the attack but misclassify the victim; (4) rigid multi-signal thresholds structurally exclude single-surface negligent insiders, demonstrating the necessity of parallel, threat-class-specific triage pipelines; and (5) agentic software-engineering training acts as a force multiplier for multi-day temporal correlation, but only when paired with frontier-level parameter scale. Finally, prompt sensitivity analysis reveals that unstructured prompts induce vocabulary hallucination, motivating a two-track scoring framework separating prompt adherence from reasoning capability. OrgForge-IT is open source under the MIT license.

  • 1 authors
·
Mar 23

OrgForge: A Multi-Agent Simulation Framework for Verifiable Synthetic Corporate Corpora

Evaluating retrieval-augmented generation (RAG) pipelines requires corpora where ground truth is knowable, temporally structured, and cross-artifact properties that real-world datasets rarely provide cleanly. Existing resources such as the Enron corpus carry legal ambiguity, demographic skew, and no structured ground truth. Purely LLM-generated synthetic data solves the legal problem but introduces a subtler one: the generating model cannot be prevented from hallucinating facts that contradict themselves across documents.We present OrgForge, an open-source multi-agent simulation framework that enforces a strict physics-cognition boundary: a deterministic Python engine maintains a SimEvent ground truth bus; large language models generate only surface prose, constrained by validated proposals. An actor-local clock enforces causal timestamp correctness across all artifact types, eliminating the class of timeline inconsistencies that arise when timestamps are sampled independently per document. We formalize three graph-dynamic subsystems stress propagation via betweenness centrality, temporal edge-weight decay, and Dijkstra escalation routing that govern organizational behavior independently of any LLM. Running a configurable N-day simulation, OrgForge produces interleaved Slack threads, JIRA tickets, Confluence pages, Git pull requests, and emails, all traceable to a shared, immutable event log. We additionally describe a causal chain tracking subsystem that accumulates cross-artifact evidence graphs per incident, a hybrid reciprocal-rank-fusion recurrence detector for identifying repeated failure classes, and an inbound/outbound email engine that routes vendor alerts, customer complaints, and HR correspondence through gated causal chains with probabilistic drop simulation. OrgForge is available under the MIT license.

  • 1 authors
·
Mar 16

Organize then Retrieve: Hierarchical Memory Navigation for Efficient Agents

Large language model (LLM) agents struggle with long-horizon tasks due to their inherent statelessness, requiring all task-relevant information to be encoded in growing input contexts. The resulting degraded reasoning quality, increased inference cost, and higher latency necessitate efficient working memory mechanisms. However, existing approaches either rely on lossy compression or similarity-based retrieval, which often fail to capture temporal structure and causal dependencies required for multi-step agentic tasks. In this work, we present HORMA, a Hierarchical Organize-and-Retrieve Memory Agent that organizes experience into a file-system-like hierarchical structure, where summarized entities are linked to the corresponding raw trajectories, enabling efficient access without losing detailed information. HORMA decomposes working memory into two stages: structured memory construction and navigation-based retrieval. The construction module iteratively refines how experiences are structured by distinguishing between failures caused by missing information and those caused by misleading or overloaded context. The navigation module retrieves task-relevant context by traversing the hierarchy using a lightweight agent trained with reinforcement learning to select minimal yet sufficient context, thereby reducing latency along the critical execution path. Across ALFWorld, LoCoMo, and LongMemEval, HORMA improves task performance under constrained context budgets while requiring at most 22.17% of the baseline token usage in long conversation tasks. Compared to existing methods, it consistently achieves better efficiency-performance trade-offs and generalizes effectively to unseen tasks.

  • 5 authors
·
Jun 9

A Practical Guide to Agentic AI Transition in Organizations

Agentic AI represents a significant shift in how intelligence is applied within organizations, moving beyond AI-assisted tools toward autonomous systems capable of reasoning, decision-making, and coordinated action across workflows. As these systems mature, they have the potential to automate a substantial share of manual organizational processes, fundamentally reshaping how work is designed, executed, and governed. Although many organizations have adopted AI to improve productivity, most implementations remain limited to isolated use cases and human-centered, tool-driven workflows. Despite increasing awareness of agentic AI's strategic importance, engineering teams and organizational leaders often lack clear guidance on how to operationalize it effectively. Key challenges include an overreliance on traditional software engineering practices, limited integration of business-domain knowledge, unclear ownership of AI-driven workflows, and the absence of sustainable human-AI collaboration models. Consequently, organizations struggle to move beyond experimentation, scale agentic systems, and align them with tangible business value. Drawing on practical experience in designing and deploying agentic AI workflows across multiple organizations and business domains, this paper proposes a pragmatic framework for transitioning organizational functions from manual processes to automated agentic AI systems. The framework emphasizes domain-driven use case identification, systematic delegation of tasks to AI agents, AI-assisted construction of agentic workflows, and small, AI-augmented teams working closely with business stakeholders. Central to the approach is a human-in-the-loop operating model in which individuals act as orchestrators of multiple AI agents, enabling scalable automation while maintaining oversight, adaptability, and organizational control.

  • 17 authors
·
Jan 26

ORGEval: Graph-Theoretic Evaluation of LLMs in Optimization Modeling

Formulating optimization problems for industrial applications demands significant manual effort and domain expertise. While Large Language Models (LLMs) show promise in automating this process, evaluating their performance remains difficult due to the absence of robust metrics. Existing solver-based approaches often face inconsistency, infeasibility issues, and high computational costs. To address these issues, we propose ORGEval, a graph-theoretic evaluation framework for assessing LLMs' capabilities in formulating linear and mixed-integer linear programs. ORGEval represents optimization models as graphs, reducing equivalence detection to graph isomorphism testing. We identify and prove a sufficient condition, when the tested graphs are symmetric decomposable (SD), under which the Weisfeiler-Lehman (WL) test is guaranteed to correctly detect isomorphism. Building on this, ORGEval integrates a tailored variant of the WL-test with an SD detection algorithm to evaluate model equivalence. By focusing on structural equivalence rather than instance-level configurations, ORGEval is robust to numerical variations. Experimental results show that our method can successfully detect model equivalence and produce 100\% consistent results across random parameter configurations, while significantly outperforming solver-based methods in runtime, especially on difficult problems. Leveraging ORGEval, we construct the Bench4Opt dataset and benchmark state-of-the-art LLMs on optimization modeling. Our results reveal that although optimization modeling remains challenging for all LLMs, DeepSeek-V3 and Claude-Opus-4 achieve the highest accuracies under direct prompting, outperforming even leading reasoning models.

  • 11 authors
·
Oct 31, 2025

Transfer Learning Using Ensemble Neural Networks for Organic Solar Cell Screening

Organic Solar Cells are a promising technology for solving the clean energy crisis in the world. However, generating candidate chemical compounds for solar cells is a time-consuming process requiring thousands of hours of laboratory analysis. For a solar cell, the most important property is the power conversion efficiency which is dependent on the highest occupied molecular orbitals (HOMO) values of the donor molecules. Recently, machine learning techniques have proved to be very useful in building predictive models for HOMO values of donor structures of Organic Photovoltaic Cells (OPVs). Since experimental datasets are limited in size, current machine learning models are trained on data derived from calculations based on density functional theory (DFT). Molecular line notations such as SMILES or InChI are popular input representations for describing the molecular structure of donor molecules. The two types of line representations encode different information, such as SMILES defines the bond types while InChi defines protonation. In this work, we present an ensemble deep neural network architecture, called SINet, which harnesses both the SMILES and InChI molecular representations to predict HOMO values and leverage the potential of transfer learning from a sizeable DFT-computed dataset- Harvard CEP to build more robust predictive models for relatively smaller HOPV datasets. Harvard CEP dataset contains molecular structures and properties for 2.3 million candidate donor structures for OPV while HOPV contains DFT-computed and experimental values of 350 and 243 molecules respectively. Our results demonstrate significant performance improvement from the use of transfer learning and leveraging both molecular representations.

  • 6 authors
·
Mar 7, 2019

CRISP-SAM2: SAM2 with Cross-Modal Interaction and Semantic Prompting for Multi-Organ Segmentation

Multi-organ medical segmentation is a crucial component of medical image processing, essential for doctors to make accurate diagnoses and develop effective treatment plans. Despite significant progress in this field, current multi-organ segmentation models often suffer from inaccurate details, dependence on geometric prompts and loss of spatial information. Addressing these challenges, we introduce a novel model named CRISP-SAM2 with CRoss-modal Interaction and Semantic Prompting based on SAM2. This model represents a promising approach to multi-organ medical segmentation guided by textual descriptions of organs. Our method begins by converting visual and textual inputs into cross-modal contextualized semantics using a progressive cross-attention interaction mechanism. These semantics are then injected into the image encoder to enhance the detailed understanding of visual information. To eliminate reliance on geometric prompts, we use a semantic prompting strategy, replacing the original prompt encoder to sharpen the perception of challenging targets. In addition, a similarity-sorting self-updating strategy for memory and a mask-refining process is applied to further adapt to medical imaging and enhance localized details. Comparative experiments conducted on seven public datasets indicate that CRISP-SAM2 outperforms existing models. Extensive analysis also demonstrates the effectiveness of our method, thereby confirming its superior performance, especially in addressing the limitations mentioned earlier. Our code is available at: https://github.com/YU-deep/CRISP\_SAM2.git.

  • 8 authors
·
Jun 29, 2025 1

Automating Customer Service using LangChain: Building custom open-source GPT Chatbot for organizations

In the digital age, the dynamics of customer service are evolving, driven by technological advancements and the integration of Large Language Models (LLMs). This research paper introduces a groundbreaking approach to automating customer service using LangChain, a custom LLM tailored for organizations. The paper explores the obsolescence of traditional customer support techniques, particularly Frequently Asked Questions (FAQs), and proposes a paradigm shift towards responsive, context-aware, and personalized customer interactions. The heart of this innovation lies in the fusion of open-source methodologies, web scraping, fine-tuning, and the seamless integration of LangChain into customer service platforms. This open-source state-of-the-art framework, presented as "Sahaay," demonstrates the ability to scale across industries and organizations, offering real-time support and query resolution. Key elements of this research encompass data collection via web scraping, the role of embeddings, the utilization of Google's Flan T5 XXL, Base and Small language models for knowledge retrieval, and the integration of the chatbot into customer service platforms. The results section provides insights into their performance and use cases, here particularly within an educational institution. This research heralds a new era in customer service, where technology is harnessed to create efficient, personalized, and responsive interactions. Sahaay, powered by LangChain, redefines the customer-company relationship, elevating customer retention, value extraction, and brand image. As organizations embrace LLMs, customer service becomes a dynamic and customer-centric ecosystem.

  • 2 authors
·
Oct 9, 2023

MD-RWKV-UNet: Scale-Aware Anatomical Encoding with Cross-Stage Fusion for Multi-Organ Segmentation

Multi-organ segmentation in medical imaging remains challenging due to large anatomical variability, complex inter-organ dependencies, and diverse organ scales and shapes. Conventional encoder-decoder architectures often struggle to capture both fine-grained local details and long-range context, which are crucial for accurate delineation - especially for small or deformable organs. To address these limitations, we propose MD-RWKV-UNet, a dynamic encoder network that enables scale-aware representation and spatially adaptive context modeling. At its core is the MD-RWKV block, a dual-path module that integrates deformable spatial shifts with the Receptance Weighted Key Value mechanism, allowing the receptive field to adapt dynamically to local structural cues. We further incorporate Selective Kernel Attention to enable adaptive selection of convolutional kernels with varying receptive fields, enhancing multi-scale interaction and improving robustness to organ size and shape variation. In parallel, a cross-stage dual-attention fusion strategy aggregates multi-level features across the encoder, preserving low-level structure while enhancing semantic consistency. Unlike methods that stack static convolutions or rely heavily on global attention, our approach provides a lightweight yet expressive solution for dynamic organ modeling. Experiments on Synapse and ACDC demonstrate state-of-the-art performance, particularly in boundary precision and small-organ segmentation.

  • 1 authors
·
Mar 27

Neural Organ Transplantation (NOT): Checkpoint-Based Modular Adaptation for Transformer Models

We introduce Neural Organ Transplantation (NOT), a modular adaptation framework that enables trained transformer layers to function as reusable transferable checkpoints for domain adaptation. Unlike conventional fine-tuning approaches that tightly couple trained parameters to specific model instances and training data, NOT extracts contiguous layer subsets ("donor organs") from pre-trained models, trains them independently on domain-specific data, and saves them as standalone checkpoint files that can be transplanted into compatible recipient models without access to the original training data. Through experiments on three decoder-only transformer architectures spanning 124M to 20B parameters (GPT-2, TinyLlama, and GPT-OSS), we demonstrate that donor transplantation substantially outperforms existing adaptation methods, achieving an order-of-magnitude improvement in perplexity over LoRA while training significantly faster. The method exhibits position dependence, with early insertion positions yielding optimal results. Cross-domain transfer at billion-parameter scale reveals unexpected regularization benefits. These findings demonstrate that transformer middle layers can support efficient modular transfer for decoder-only architectures, enabling privacy-preserving expertise sharing through checkpoint distribution. We note that this approach is currently limited to decoder-only models; preliminary experiments on encoder-based architectures show reduced effectiveness.

  • 1 authors
·
Jan 19

Large Language Model Federated Learning with Blockchain and Unlearning for Cross-Organizational Collaboration

Large language models (LLMs) have transformed the way computers understand and process human language, but using them effectively across different organizations remains still difficult. When organizations work together to improve LLMs, they face several main challenges. First, organizations hesitate to share their valuable data with others. Second, competition between organizations creates trust problems during collaboration. Third, new privacy laws require organizations to be able to delete specific data when requested, which is especially difficult when multiple organizations are learning from shared data. Traditional federated learning approaches do not address these interconnected challenges, particularly in scenarios where participants cannot fully trust each other or the central aggregator. To overcome these limitations, we propose a hybrid blockchain-based federated learning framework that uniquely combines public and private blockchain architectures with multi-agent reinforcement learning. Our framework enables transparent sharing of model update through the public blockchain while protecting sensitive computations in private chains. Each organization operates as an intelligent agent, using Q-learning to optimize its participation strategy and resource allocation, thus aligning individual incentives with collective goals. Notably, we introduce an efficient unlearning mechanism based on Low-Rank Adaptation (LoRA) that enables selective removal of specific data contributions without compromising the model's overall performance. Through extensive experimentation on real-world datasets, we demonstrate that our framework effectively balances privacy protection, trust establishment, and regulatory compliance while maintaining high model performance.

  • 5 authors
·
Dec 17, 2024

AutoScientists: Self-Organizing Agent Teams for Long-Running Scientific Experimentation

Scientific research proceeds through iterative cycles of hypothesis generation, experiment design, execution, and revision. AI agents can automate parts of this process, but existing approaches typically follow a single research trajectory or coordinate through a central planner with fixed objectives. As a result, they struggle to sustain parallel exploration, adapt as experimental evidence changes, or preserve knowledge of failed directions over long-running experiments. We introduce AutoScientists, a decentralized team of AI agents for long-running computational scientific experimentation. Agents interpret a shared experimental state, self-organize into teams around promising hypotheses, critique proposals before using experimental compute, and share successes and failures to reduce redundant exploration. Under matched experimental budgets, AutoScientists improves over prior AI agents across biomedical machine learning, language-model training optimization, and protein fitness prediction. On BioML-Bench, spanning biomedical imaging, protein engineering, single-cell omics, and drug discovery, AutoScientists achieves a mean leaderboard percentile of 74.4% across 24 tasks, improving over the strongest AI agent by +8.33%. On GPT training optimization, AutoScientists reaches a target validation bits-per-byte 1.9x faster than Autoresearch and continues discovering improvements from a starting champion where the single-agent approach finds none (7 vs. 0 accepted improvements). On ProteinGym fitness prediction, AutoScientists discovers a method for ACE2-Spike binding that improves over the current state-of-the-art model by +12.5% in Spearman correlation. Applied without modification across all 217 ProteinGym assays, the same method improves over the prior state of the art by +6.5% (Spearman correlation).

Learning to Commit: Generating Organic Pull Requests via Online Repository Memory

Large language model (LLM)-based coding agents achieve impressive results on controlled benchmarks yet routinely produce pull requests that real maintainers reject. The root cause is not functional incorrectness but a lack of organicity: generated code ignores project-specific conventions, duplicates functionality already provided by internal APIs, and violates implicit architectural constraints accumulated over years of development. Simply exposing an agent to the latest repository snapshot is not enough: the snapshot reveals the final state of the codebase, but not the repository-specific change patterns by which that state was reached. We introduce Learning to Commit, a framework that closes this gap through Online Repository Memory. Given a repository with a strict chronological split, the agent performs supervised contrastive reflection on earlier commits: it blindly attempts to resolve each historical issue, compares its prediction against the oracle diff, and distils the gap into a continuously growing set of skills-reusable patterns capturing coding style, internal API usage, and architectural invariants. When a new PR description arrives, the agent conditions its generation on these accumulated skills, producing changes grounded in the project's own evolution rather than generic pretraining priors. Evaluation is conducted on genuinely future, merged pull requests that could not have been seen during the skill-building phase, and spans multiple dimensions including functional correctness, code-style consistency, internal API reuse rate, and modified-region plausibility. Experiments on an expert-maintained repository with rich commit history show that Online Repository Memory effectively improves organicity scores on held-out future tasks.

  • 5 authors
·
Mar 27 2

The Responsibility Vacuum: Organizational Failure in Scaled Agent Systems

Modern CI/CD pipelines integrating agent-generated code exhibit a structural failure in responsibility attribution. Decisions are executed through formally correct approval processes, yet no entity possesses both the authority to approve those decisions and the epistemic capacity to meaningfully understand their basis. We define this condition as responsibility vacuum: a state in which decisions occur, but responsibility cannot be attributed because authority and verification capacity do not coincide. We show that this is not a process deviation or technical defect, but a structural property of deployments where decision generation throughput exceeds bounded human verification capacity. We identify a scaling limit under standard deployment assumptions, including parallel agent generation, CI-based validation, and individualized human approval gates. Beyond a throughput threshold, verification ceases to function as a decision criterion and is replaced by ritualized approval based on proxy signals. Personalized responsibility becomes structurally unattainable in this regime. We further characterize a CI amplification dynamic, whereby increasing automated validation coverage raises proxy signal density without restoring human capacity. Under fixed time and attention constraints, this accelerates cognitive offloading in the broad sense and widens the gap between formal approval and epistemic understanding. Additional automation therefore amplifies, rather than mitigates, the responsibility vacuum. We conclude that unless organizations explicitly redesign decision boundaries or reassign responsibility away from individual decisions toward batch- or system-level ownership, responsibility vacuum remains an invisible but persistent failure mode in scaled agent deployments.

  • 2 authors
·
Jan 21 2

Compact 3D Scene Representation via Self-Organizing Gaussian Grids

3D Gaussian Splatting has recently emerged as a highly promising technique for modeling of static 3D scenes. In contrast to Neural Radiance Fields, it utilizes efficient rasterization allowing for very fast rendering at high-quality. However, the storage size is significantly higher, which hinders practical deployment, e.g.~on resource constrained devices. In this paper, we introduce a compact scene representation organizing the parameters of 3D Gaussian Splatting (3DGS) into a 2D grid with local homogeneity, ensuring a drastic reduction in storage requirements without compromising visual quality during rendering. Central to our idea is the explicit exploitation of perceptual redundancies present in natural scenes. In essence, the inherent nature of a scene allows for numerous permutations of Gaussian parameters to equivalently represent it. To this end, we propose a novel highly parallel algorithm that regularly arranges the high-dimensional Gaussian parameters into a 2D grid while preserving their neighborhood structure. During training, we further enforce local smoothness between the sorted parameters in the grid. The uncompressed Gaussians use the same structure as 3DGS, ensuring a seamless integration with established renderers. Our method achieves a reduction factor of 8x to 26x in size for complex scenes with no increase in training time, marking a substantial leap forward in the domain of 3D scene distribution and consumption. Additional information can be found on our project page: https://fraunhoferhhi.github.io/Self-Organizing-Gaussians/

  • 4 authors
·
Dec 19, 2023

From Local Cues to Global Percepts: Emergent Gestalt Organization in Self-Supervised Vision Models

Human vision organizes local cues into coherent global forms using Gestalt principles like closure, proximity, and figure-ground assignment -- functions reliant on global spatial structure. We investigate whether modern vision models show similar behaviors, and under what training conditions these emerge. We find that Vision Transformers (ViTs) trained with Masked Autoencoding (MAE) exhibit activation patterns consistent with Gestalt laws, including illusory contour completion, convexity preference, and dynamic figure-ground segregation. To probe the computational basis, we hypothesize that modeling global dependencies is necessary for Gestalt-like organization. We introduce the Distorted Spatial Relationship Testbench (DiSRT), which evaluates sensitivity to global spatial perturbations while preserving local textures. Using DiSRT, we show that self-supervised models (e.g., MAE, CLIP) outperform supervised baselines and sometimes even exceed human performance. ConvNeXt models trained with MAE also exhibit Gestalt-compatible representations, suggesting such sensitivity can arise without attention architectures. However, classification finetuning degrades this ability. Inspired by biological vision, we show that a Top-K activation sparsity mechanism can restore global sensitivity. Our findings identify training conditions that promote or suppress Gestalt-like perception and establish DiSRT as a diagnostic for global structure sensitivity across models.

  • 6 authors
·
May 31, 2025

Concise and Organized Perception Facilitates Large Language Models for Deductive Reasoning

Exploiting large language models (LLMs) to tackle deductive reasoning has garnered growing attention. It still remains highly challenging to achieve satisfactory results in complex deductive problems, characterized by plenty of premises (i.e., facts or rules) entailing intricate relationships among entities and requiring multi-hop reasoning. One intuitive solution is to decompose the original task into smaller sub-tasks, and then chain the multiple casual reasoning steps together in a forward (e.g., Selection-Inference) or backward (e.g., LAMBADA) direction. However, these techniques inevitably necessitate a large number of overall stages, leading to computationally expensive operations and a higher possibility of making misleading steps. In addition to stage-by-stage decomposition, we draw inspiration from another aspect of human problem-solving. Humans tend to distill the most relevant information and organize their thoughts systematically (e.g., creating mind maps), which assists them in answering questions or drawing conclusions precisely and quickly. In light of this, we propose a novel reasoning approach named Concise and Organized Perception (COP). COP carefully analyzes the given statements to efficiently identify the most pertinent information while eliminating redundancy. It then prompts the LLMs in a more organized form that adapts to the model's inference process. By perceiving concise and organized proofs, the deductive reasoning abilities of LLMs can be better elicited, and the risk of acquiring errors caused by excessive reasoning stages is mitigated. Furthermore, our approach can be combined with the aforementioned ones to further boost their performance. Extensive experimental results on three popular deductive benchmarks (i.e., ProofWriter, PrOntoQA and PrOntoQA-OOD) show that COP significantly outperforms previous state-of-the-art methods.

  • 4 authors
·
Oct 5, 2023

Stochastic Self-Organization in Multi-Agent Systems

Multi-agent systems (MAS) based on Large Language Models (LLMs) have the potential to solve tasks that are beyond the reach of any single LLM. However, this potential can only be realized when the collaboration mechanism between agents is optimized. Specifically, optimizing the communication structure between agents is critical for fruitful collaboration. Most existing approaches rely on fixed topologies, pretrained graph generators, optimization over edges, or employ external LLM judges, thereby adding to the complexity. In this work, we introduce a response-conditioned framework that adapts communication on-the-fly. Agents independently generate responses to the user query and assess peer contributions using an approximation of the Shapley value. A directed acyclic graph (DAG) is then constructed to regulate the propagation of the responses among agents, which ensures stable and efficient message transmission from high-contributing agents to others. This graph is dynamically updated based on the agent responses from the previous collaboration round. Since the proposed framework enables the self-organization of agents without additional supervision or training, we refer to it as SelfOrg. The SelfOrg framework goes beyond task- and query-level optimization and takes into account the stochastic nature of agent responses. Experiments with both strong and weak LLM backends demonstrate robust performance, with significant gains in the weak regime where prior methods collapse. We also theoretically show that multiple agents increase the chance of correctness and that the correct responses naturally dominate the information flow.

  • 3 authors
·
Oct 1, 2025

Nemori: Self-Organizing Agent Memory Inspired by Cognitive Science

Large Language Models (LLMs) demonstrate remarkable capabilities, yet their inability to maintain persistent memory in long contexts limits their effectiveness as autonomous agents in long-term interactions. While existing memory systems have made progress, their reliance on arbitrary granularity for defining the basic memory unit and passive, rule-based mechanisms for knowledge extraction limits their capacity for genuine learning and evolution. To address these foundational limitations, we present Nemori, a novel self-organizing memory architecture inspired by human cognitive principles. Nemori's core innovation is twofold: First, its Two-Step Alignment Principle, inspired by Event Segmentation Theory, provides a principled, top-down method for autonomously organizing the raw conversational stream into semantically coherent episodes, solving the critical issue of memory granularity. Second, its Predict-Calibrate Principle, inspired by the Free-energy Principle, enables the agent to proactively learn from prediction gaps, moving beyond pre-defined heuristics to achieve adaptive knowledge evolution. This offers a viable path toward handling the long-term, dynamic workflows of autonomous agents. Extensive experiments on the LoCoMo and LongMemEval benchmarks demonstrate that Nemori significantly outperforms prior state-of-the-art systems, with its advantage being particularly pronounced in longer contexts.

  • 4 authors
·
Aug 5, 2025

Patient-Specific Autoregressive Models for Organ Motion Prediction in Radiotherapy

Radiotherapy often involves a prolonged treatment period. During this time, patients may experience organ motion due to breathing and other physiological factors. Predicting and modeling this motion before treatment is crucial for ensuring precise radiation delivery. However, existing pre-treatment organ motion prediction methods primarily rely on deformation analysis using principal component analysis (PCA), which is highly dependent on registration quality and struggles to capture periodic temporal dynamics for motion modeling.In this paper, we observe that organ motion prediction closely resembles an autoregressive process, a technique widely used in natural language processing (NLP). Autoregressive models predict the next token based on previous inputs, naturally aligning with our objective of predicting future organ motion phases. Building on this insight, we reformulate organ motion prediction as an autoregressive process to better capture patient-specific motion patterns. Specifically, we acquire 4D CT scans for each patient before treatment, with each sequence comprising multiple 3D CT phases. These phases are fed into the autoregressive model to predict future phases based on prior phase motion patterns. We evaluate our method on a real-world test set of 4D CT scans from 50 patients who underwent radiotherapy at our institution and a public dataset containing 4D CT scans from 20 patients (some with multiple scans), totaling over 1,300 3D CT phases. The performance in predicting the motion of the lung and heart surpasses existing benchmarks, demonstrating its effectiveness in capturing motion dynamics from CT images. These results highlight the potential of our method to improve pre-treatment planning in radiotherapy, enabling more precise and adaptive radiation delivery.

  • 4 authors
·
May 17, 2025

Science Hierarchography: Hierarchical Organization of Science Literature

Scientific knowledge is growing rapidly, making it challenging to track progress and high-level conceptual links across broad disciplines. While existing tools like citation networks and search engines make it easy to access a few related papers, they fundamentally lack the flexible abstraction needed to represent the density of activity in various scientific subfields. We motivate SCIENCE HIERARCHOGRAPHY, the goal of organizing scientific literature into a high-quality hierarchical structure that allows for the categorization of scientific work across varying levels of abstraction, from very broad fields to very specific studies. Such a representation can provide insights into which fields are well-explored and which are under-explored. To achieve the goals of SCIENCE HIERARCHOGRAPHY, we develop a range of algorithms. Our primary approach combines fast embedding-based clustering with LLM-based prompting to balance the computational efficiency of embedding methods with the semantic precision offered by LLM prompting. We demonstrate that this approach offers the best trade-off between quality and speed compared to methods that heavily rely on LLM prompting, such as iterative tree construction with LLMs. To better reflect the interdisciplinary and multifaceted nature of research papers, our hierarchy captures multiple dimensions of categorization beyond simple topic labels. We evaluate the utility of our framework by assessing how effectively an LLM-based agent can locate target papers using the hierarchy. Results show that this structured approach enhances interpretability, supports trend discovery, and offers an alternative pathway for exploring scientific literature beyond traditional search methods. Code, data and demo: https://github.com/JHU-CLSP/science-hierarchography{https://github.com/JHU-CLSP/science-hierarchography}

  • 4 authors
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Apr 18, 2025

CHIME: LLM-Assisted Hierarchical Organization of Scientific Studies for Literature Review Support

Literature review requires researchers to synthesize a large amount of information and is increasingly challenging as the scientific literature expands. In this work, we investigate the potential of LLMs for producing hierarchical organizations of scientific studies to assist researchers with literature review. We define hierarchical organizations as tree structures where nodes refer to topical categories and every node is linked to the studies assigned to that category. Our naive LLM-based pipeline for hierarchy generation from a set of studies produces promising yet imperfect hierarchies, motivating us to collect CHIME, an expert-curated dataset for this task focused on biomedicine. Given the challenging and time-consuming nature of building hierarchies from scratch, we use a human-in-the-loop process in which experts correct errors (both links between categories and study assignment) in LLM-generated hierarchies. CHIME contains 2,174 LLM-generated hierarchies covering 472 topics, and expert-corrected hierarchies for a subset of 100 topics. Expert corrections allow us to quantify LLM performance, and we find that while they are quite good at generating and organizing categories, their assignment of studies to categories could be improved. We attempt to train a corrector model with human feedback which improves study assignment by 12.6 F1 points. We release our dataset and models to encourage research on developing better assistive tools for literature review.

  • 8 authors
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Jul 22, 2024

Approaching Emergent Risks: An Exploratory Study into Artificial Intelligence Risk Management within Financial Organisations

Globally, artificial intelligence (AI) implementation is growing, holding the capability to fundamentally alter organisational processes and decision making. Simultaneously, this brings a multitude of emergent risks to organisations, exposing vulnerabilities in their extant risk management frameworks. This necessitates a greater understanding of how organisations can position themselves in response. This issue is particularly pertinent within the financial sector with relatively mature AI applications matched with severe societal repercussions of potential risk events. Despite this, academic risk management literature is trailing behind the speed of AI implementation. Adopting a management perspective, this study aims to contribute to the understanding of AI risk management in organisations through an exploratory empirical investigation into these practices. In-depth insights are gained through interviews with nine practitioners from different organisations within the UK financial sector. Through examining areas of organisational convergence and divergence, the findings of this study unearth levels of risk management framework readiness and prevailing approaches to risk management at both a processual and organisational level. Whilst enhancing the developing literature concerning AI risk management within organisations, the study simultaneously offers a practical contribution, providing key areas of guidance for practitioners in the operational development of AI risk management frameworks.

  • 1 authors
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Apr 8, 2024

Hierarchical Auto-Organizing System for Open-Ended Multi-Agent Navigation

Due to the dynamic and unpredictable open-world setting, navigating complex environments in Minecraft poses significant challenges for multi-agent systems. Agents must interact with the environment and coordinate their actions with other agents to achieve common objectives. However, traditional approaches often struggle to efficiently manage inter-agent communication and task distribution, crucial for effective multi-agent navigation. Furthermore, processing and integrating multi-modal information (such as visual, textual, and auditory data) is essential for agents to comprehend their goals and navigate the environment successfully and fully. To address this issue, we design the HAS framework to auto-organize groups of LLM-based agents to complete navigation tasks. In our approach, we devise a hierarchical auto-organizing navigation system, which is characterized by 1) a hierarchical system for multi-agent organization, ensuring centralized planning and decentralized execution; 2) an auto-organizing and intra-communication mechanism, enabling dynamic group adjustment under subtasks; 3) a multi-modal information platform, facilitating multi-modal perception to perform the three navigation tasks with one system. To assess organizational behavior, we design a series of navigation tasks in the Minecraft environment, which includes searching and exploring. We aim to develop embodied organizations that push the boundaries of embodied AI, moving it towards a more human-like organizational structure.

  • 7 authors
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Mar 13, 2024

Linking Datasets on Organizations Using Half A Billion Open Collaborated Records

Scholars studying organizations often work with multiple datasets lacking shared unique identifiers or covariates. In such situations, researchers may turn to approximate string matching methods to combine datasets. String matching, although useful, faces fundamental challenges. Even when two strings appear similar to humans, fuzzy matching often does not work because it fails to adapt to the informativeness of the character combinations presented. Worse, many entities have multiple names that are dissimilar (e.g., "Fannie Mae" and "Federal National Mortgage Association"), a case where string matching has little hope of succeeding. This paper introduces data from a prominent employment-related networking site (LinkedIn) as a tool to address these problems. We propose interconnected approaches to leveraging the massive amount of information from LinkedIn regarding organizational name-to-name links. The first approach builds a machine learning model for predicting matches from character strings, treating the trillions of user-contributed organizational name pairs as a training corpus: this approach constructs a string matching metric that explicitly maximizes match probabilities. A second approach identifies relationships between organization names using network representations of the LinkedIn data. A third approach combines the first and second. We document substantial improvements over fuzzy matching in applications, making all methods accessible in open-source software ("LinkOrgs").

JerzakLabs Jerzak Labs
·
Feb 5, 2023 1

C5T5: Controllable Generation of Organic Molecules with Transformers

Methods for designing organic materials with desired properties have high potential impact across fields such as medicine, renewable energy, petrochemical engineering, and agriculture. However, using generative modeling to design substances with desired properties is difficult because candidate compounds must satisfy multiple constraints, including synthetic accessibility and other metrics that are intuitive to domain experts but challenging to quantify. We propose C5T5, a novel self-supervised pretraining method that enables transformers to make zero-shot select-and-replace edits, altering organic substances towards desired property values. C5T5 operates on IUPAC names -- a standardized molecular representation that intuitively encodes rich structural information for organic chemists but that has been largely ignored by the ML community. Our technique requires no edited molecule pairs to train and only a rough estimate of molecular properties, and it has the potential to model long-range dependencies and symmetric molecular structures more easily than graph-based methods. C5T5 also provides a powerful interface to domain experts: it grants users fine-grained control over the generative process by selecting and replacing IUPAC name fragments, which enables experts to leverage their intuitions about structure-activity relationships. We demonstrate C5T5's effectiveness on four physical properties relevant for drug discovery, showing that it learns successful and chemically intuitive strategies for altering molecules towards desired property values.

  • 5 authors
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Aug 23, 2021

ComoRAG: A Cognitive-Inspired Memory-Organized RAG for Stateful Long Narrative Reasoning

Narrative comprehension on long stories and novels has been a challenging domain attributed to their intricate plotlines and entangled, often evolving relations among characters and entities. Given the LLM's diminished reasoning over extended context and high computational cost, retrieval-based approaches remain a pivotal role in practice. However, traditional RAG methods can fall short due to their stateless, single-step retrieval process, which often overlooks the dynamic nature of capturing interconnected relations within long-range context. In this work, we propose ComoRAG, holding the principle that narrative reasoning is not a one-shot process, but a dynamic, evolving interplay between new evidence acquisition and past knowledge consolidation, analogous to human cognition when reasoning with memory-related signals in the brain. Specifically, when encountering a reasoning impasse, ComoRAG undergoes iterative reasoning cycles while interacting with a dynamic memory workspace. In each cycle, it generates probing queries to devise new exploratory paths, then integrates the retrieved evidence of new aspects into a global memory pool, thereby supporting the emergence of a coherent context for the query resolution. Across four challenging long-context narrative benchmarks (200K+ tokens), ComoRAG outperforms strong RAG baselines with consistent relative gains up to 11% compared to the strongest baseline. Further analysis reveals that ComoRAG is particularly advantageous for complex queries requiring global comprehension, offering a principled, cognitively motivated paradigm for retrieval-based long context comprehension towards stateful reasoning. Our code is publicly released at https://github.com/EternityJune25/ComoRAG

  • 8 authors
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Aug 14, 2025 2

Agentic Deep Graph Reasoning Yields Self-Organizing Knowledge Networks

We present an agentic, autonomous graph expansion framework that iteratively structures and refines knowledge in situ. Unlike conventional knowledge graph construction methods relying on static extraction or single-pass learning, our approach couples a reasoning-native large language model with a continually updated graph representation. At each step, the system actively generates new concepts and relationships, merges them into a global graph, and formulates subsequent prompts based on its evolving structure. Through this feedback-driven loop, the model organizes information into a scale-free network characterized by hub formation, stable modularity, and bridging nodes that link disparate knowledge clusters. Over hundreds of iterations, new nodes and edges continue to appear without saturating, while centrality measures and shortest path distributions evolve to yield increasingly distributed connectivity. Our analysis reveals emergent patterns, such as the rise of highly connected 'hub' concepts and the shifting influence of 'bridge' nodes, indicating that agentic, self-reinforcing graph construction can yield open-ended, coherent knowledge structures. Applied to materials design problems, we present compositional reasoning experiments by extracting node-specific and synergy-level principles to foster genuinely novel knowledge synthesis, yielding cross-domain ideas that transcend rote summarization and strengthen the framework's potential for open-ended scientific discovery. We discuss other applications in scientific discovery and outline future directions for enhancing scalability and interpretability.

  • 1 authors
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Feb 18, 2025