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Nov 10

Kepler: Auditable World Models for ARC-AGI-3

ARC-AGI-3 evaluates agents in interactive environments whose rules and objectives must be inferred from observation. We present Kepler, an open-source harness that represents hypotheses as executable world models and validates them through retrospective transition checks and conditional prediction checks. Under one frozen Claude Opus 5 configuration, Kepler obtained a server-verified 100.00 RHAE on all 25 public games, with no per-game model selection or score-conditioned reruns. On 181 of 183 completed levels, the final Opus attempt used no more actions than the corresponding median-human baseline. The retained board runs used 8,256 environment actions, of which 7,292 occurred in scored levels. Retained local provider-session records yield 858.0 million tokens, 97.37% cache reads, and a \$777.72 cost at September 1, 2026 API list-equivalent rates. We also report three evaluation failures: source-code leakage that produced an invalid perfect run, agents reconstructing a removed harness in a control condition, and autonomous repair masking a broken planner. A single-game observation case study showed that animation frames contained task-relevant information absent from settled text grids. Across the final Claude Opus 5 and GPT-5.6 Sol boards, 48 of 50 game-model cells reached 100. These results indicate that public-set score alone has limited discriminative value and motivate first-attempt, cost-conditioned, and verification-aware reporting.

  • 1 authors
·
Sep 29

Draw2Think: Harnessing Geometry Reasoning through Constraint Engine Interaction

Vision-language models solve geometry problems with rising accuracy, yet their intermediate states remain latent and unverifiable: a relation expressed in textual reasoning or drawing code carries no guarantee that a constraint-satisfying configuration realizes it. We observe that existing externalization methods based on rendered pixels or one-shot scripts fail to provide exact, per-action geometric guarantees. Enforcing geometric relations by algebraic definition closes this gap: the workspace becomes a constraint-checked evolving canvas. We present Draw2Think, a framework that recasts geometric reasoning from latent spatial inference into agentic interaction with the GeoGebra constraint engine. In a Propose-Draw-Verify loop, Draw2Think externalizes hypotheses onto an executable canvas, measures exact geometric quantities, and feeds structured observations back to the model, so subsequent reasoning proceeds from checked canvas state grounded by the shared workspace. This externalization makes two properties separately auditable: model-level Construction Fidelity (whether the canvas realizes the intended configuration) and engine-level Measurement Faithfulness (exact values and relations from canvas constraints). Across construction, outcome, and rendering evaluations, Draw2Think builds canvases that pass 95.9% predicate-level and 84.0% strict problem-level construction checks on GeoGoal, improves outcome accuracy by up to 4.1%/16.4% on planar/solid benchmarks, and attains 68.2%/90.5% strict/relaxed rendering scores on GenExam-math. Project page is available at https://draw2think.github.io/

PARE-Net: Position-Aware Rotation-Equivariant Networks for Robust Point Cloud Registration

Learning rotation-invariant distinctive features is a fundamental requirement for point cloud registration. Existing methods often use rotation-sensitive networks to extract features, while employing rotation augmentation to learn an approximate invariant mapping rudely. This makes networks fragile to rotations, overweight, and hinders the distinctiveness of features. To tackle these problems, we propose a novel position-aware rotation-equivariant network, for efficient, light-weighted, and robust registration. The network can provide a strong model inductive bias to learn rotation-equivariant/invariant features, thus addressing the aforementioned limitations. To further improve the distinctiveness of descriptors, we propose a position-aware convolution, which can better learn spatial information of local structures. Moreover, we also propose a feature-based hypothesis proposer. It leverages rotation-equivariant features that encode fine-grained structure orientations to generate reliable model hypotheses. Each correspondence can generate a hypothesis, thus it is more efficient than classic estimators that require multiple reliable correspondences. Accordingly, a contrastive rotation loss is presented to enhance the robustness of rotation-equivariant features against data degradation. Extensive experiments on indoor and outdoor datasets demonstrate that our method significantly outperforms the SOTA methods in terms of registration recall while being lightweight and keeping a fast speed. Moreover, experiments on rotated datasets demonstrate its robustness against rotation variations. Code is available at https://github.com/yaorz97/PARENet.

  • 5 authors
·
Jul 14, 2024

A Model Generalization Study in Localizing Indoor Cows with COw LOcalization (COLO) dataset

Precision livestock farming (PLF) increasingly relies on advanced object localization techniques to monitor livestock health and optimize resource management. This study investigates the generalization capabilities of YOLOv8 and YOLOv9 models for cow detection in indoor free-stall barn settings, focusing on varying training data characteristics such as view angles and lighting, and model complexities. Leveraging the newly released public dataset, COws LOcalization (COLO) dataset, we explore three key hypotheses: (1) Model generalization is equally influenced by changes in lighting conditions and camera angles; (2) Higher model complexity guarantees better generalization performance; (3) Fine-tuning with custom initial weights trained on relevant tasks always brings advantages to detection tasks. Our findings reveal considerable challenges in detecting cows in images taken from side views and underscore the importance of including diverse camera angles in building a detection model. Furthermore, our results emphasize that higher model complexity does not necessarily lead to better performance. The optimal model configuration heavily depends on the specific task and dataset. Lastly, while fine-tuning with custom initial weights trained on relevant tasks offers advantages to detection tasks, simpler models do not benefit similarly from this approach. It is more efficient to train a simple model with pre-trained weights without relying on prior relevant information, which can require intensive labor efforts. Future work should focus on adaptive methods and advanced data augmentation to improve generalization and robustness. This study provides practical guidelines for PLF researchers on deploying computer vision models from existing studies, highlights generalization issues, and contributes the COLO dataset containing 1254 images and 11818 cow instances for further research.

  • 3 authors
·
Jul 29, 2024

AIR-Bench: Benchmarking Large Audio-Language Models via Generative Comprehension

Recently, instruction-following audio-language models have received broad attention for human-audio interaction. However, the absence of benchmarks capable of evaluating audio-centric interaction capabilities has impeded advancements in this field. Previous models primarily focus on assessing different fundamental tasks, such as Automatic Speech Recognition (ASR), and lack an assessment of the open-ended generative capabilities centered around audio. Thus, it is challenging to track the progression in the Large Audio-Language Models (LALMs) domain and to provide guidance for future improvement. In this paper, we introduce AIR-Bench (Audio InstRuction Benchmark), the first benchmark designed to evaluate the ability of LALMs to understand various types of audio signals (including human speech, natural sounds, and music), and furthermore, to interact with humans in the textual format. AIR-Bench encompasses two dimensions: foundation and chat benchmarks. The former consists of 19 tasks with approximately 19k single-choice questions, intending to inspect the basic single-task ability of LALMs. The latter one contains 2k instances of open-ended question-and-answer data, directly assessing the comprehension of the model on complex audio and its capacity to follow instructions. Both benchmarks require the model to generate hypotheses directly. We design a unified framework that leverages advanced language models, such as GPT-4, to evaluate the scores of generated hypotheses given the meta-information of the audio. Experimental results demonstrate a high level of consistency between GPT-4-based evaluation and human evaluation. By revealing the limitations of existing LALMs through evaluation results, AIR-Bench can provide insights into the direction of future research.

  • 11 authors
·
Feb 12, 2024

Bayesian-Agent: Posterior-Guided Skill Evolution for LLM Agent Harnesses

LLM agents increasingly rely on external inference conditions: prompts, tools, memory, SOPs, skills, and harness feedback. These assets can improve task execution without changing model weights, but they are often revised by heuristic reflection or by reusing observed successes and failures as if counts alone were reliable belief. We introduce Bayesian-Agent, a native and cross-harness framework that treats reusable skills and SOPs as hypotheses about whether a frozen model will succeed under a particular prompt, context, and harness environment. Bayesian-Agent records verified trajectory evidence, maintains a feature-conditioned categorical posterior over each skill, and maps posterior state into inspectable actions such as patch, split, compress, retire, and explore. Model-facing prompts receive executable guardrails and failure-mode patches, while posterior summaries remain available for audit. With deepseek-v4-flash, incremental repair improves SOP-Bench from 80\% to 95\%, Lifelong AgentBench from 90\% to 100\%, and RealFin-Bench from 45\% to 65\%. We further evaluate Bayesian-Agent's native backend and optional GenericAgent, mini-swe-agent, and Claude Code backends. The results include positive, negative, saturated, and case-study settings, suggesting that agent skill evolution is best viewed as posterior-guided harness optimization rather than uncalibrated prompt accumulation. The source code is available at https://github.com/DataArcTech/Bayesian-Agent.

IDEA-FinAI IDEA FinAI
·
Jun 5 2

EnTrust: Modeling Inter-Modal Conflict for Trustworthy Multimodal Medical Image Analysis

Multimodal medical imaging fuses complementary anatomical and functional information, yet modalities frequently disagree in pathologically heterogeneous regions. Current segmentation models handle this in one of two inadequate ways: deterministic fusion that averages away disagreement, or post-hoc uncertainty estimation decoupled from the fusion process that produces it. Both obscure the clinically critical question: why is this prediction unreliable? We present EnTrust, a framework that treats inter-modal conflict as the primary source of predictive uncertainty. Our EnFuse module decomposes multimodal features into three disentangled components: shared anatomical consensus (F_c), modality-specific cues (F_{u,m}), and spatially localized conflict signals (F_{cf}), with independence enforced via a cross-covariance objective. This structured decomposition conditions SegDiff, a diffusion-based generative segmentation model whose sampled hypotheses diverge specifically in regions of modal disagreement. TrustMap then translates this hypothesis divergence into calibrated, pixel-wise uncertainty using ensemble entropy, conflict-guided perturbation probing, and a learned calibration head, enabling clinicians to understand not only where predictions are uncertain, but why. Across four benchmarks spanning brain, cardiac, lesion, and oncology domains, EnTrust achieves state-of-the-art segmentation accuracy while reducing calibration error by 40% compared to the strongest baseline. Notably, it outperforms 5x deep ensembles using a single model at roughly half the memory footprint. Code and checkpoints are available at https://github.com/GenMI-Lab/EnTrust.git.

  • 8 authors
·
Jun 18

Model-agnostic Measure of Generalization Difficulty

The measure of a machine learning algorithm is the difficulty of the tasks it can perform, and sufficiently difficult tasks are critical drivers of strong machine learning models. However, quantifying the generalization difficulty of machine learning benchmarks has remained challenging. We propose what is to our knowledge the first model-agnostic measure of the inherent generalization difficulty of tasks. Our inductive bias complexity measure quantifies the total information required to generalize well on a task minus the information provided by the data. It does so by measuring the fractional volume occupied by hypotheses that generalize on a task given that they fit the training data. It scales exponentially with the intrinsic dimensionality of the space over which the model must generalize but only polynomially in resolution per dimension, showing that tasks which require generalizing over many dimensions are drastically more difficult than tasks involving more detail in fewer dimensions. Our measure can be applied to compute and compare supervised learning, reinforcement learning and meta-learning generalization difficulties against each other. We show that applied empirically, it formally quantifies intuitively expected trends, e.g. that in terms of required inductive bias, MNIST < CIFAR10 < Imagenet and fully observable Markov decision processes (MDPs) < partially observable MDPs. Further, we show that classification of complex images < few-shot meta-learning with simple images. Our measure provides a quantitative metric to guide the construction of more complex tasks requiring greater inductive bias, and thereby encourages the development of more sophisticated architectures and learning algorithms with more powerful generalization capabilities.

  • 6 authors
·
May 1, 2023

BioinspiredLLM: Conversational Large Language Model for the Mechanics of Biological and Bio-inspired Materials

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an open-source autoregressive transformer large language model (LLM), BioinspiredLLM, is reported. The model was finetuned with a corpus of over a thousand peer-reviewed articles in the field of structural biological and bio-inspired materials and can be prompted to recall information, assist with research tasks, and function as an engine for creativity. The model has proven that it is able to accurately recall information about biological materials and is further enhanced with enhanced reasoning ability, as well as with retrieval-augmented generation to incorporate new data during generation that can also help to traceback sources, update the knowledge base, and connect knowledge domains. BioinspiredLLM also has been shown to develop sound hypotheses regarding biological materials design and remarkably so for materials that have never been explicitly studied before. Lastly, the model showed impressive promise in collaborating with other generative artificial intelligence models in a workflow that can reshape the traditional materials design process. This collaborative generative artificial intelligence method can stimulate and enhance bio-inspired materials design workflows. Biological materials are at a critical intersection of multiple scientific fields and models like BioinspiredLLM help to connect knowledge domains.

  • 2 authors
·
Sep 15, 2023

LLaMP: Large Language Model Made Powerful for High-fidelity Materials Knowledge Retrieval and Distillation

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences where reproducibility is crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably biased task to fine-tune them on domain-specific literature and data. Here we introduce LLaMP, a multimodal retrieval-augmented generation (RAG) framework of multiple data-aware reasoning-and-acting (ReAct) agents that dynamically interact with computational and experimental data on Materials Project (MP). Without fine-tuning, LLaMP demonstrates an ability to comprehend and integrate various modalities of materials science concepts, fetch relevant data stores on the fly, process higher-order data (such as crystal structures and elastic tensors), and summarize multi-step procedures for solid-state synthesis. We show that LLaMP effectively corrects errors in GPT-3.5's intrinsic knowledge, reducing a 5.21% MAPE on frequently-documented bandgaps and a significant 1103.54% MAPE on formation energies -- errors that GPT-3.5 seems to derive from mixed data sources. Additionally, LLaMP substantially reduces the hallucinated volumetric strain in a diamond cubic silicon structure from 66.3% to 0. The proposed framework offers an intuitive and nearly hallucination-free approach to exploring materials informatics and establishes a pathway for knowledge distillation and fine-tuning other language models. We envision the framework as a valuable component for scientific hypotheses and a foundation for future autonomous laboratories where multiple LLM agents communicate and cooperate with robotics to drive material synthesis and chemical reactions without hard-coded human logic and intervention.

  • 3 authors
·
Jan 30, 2024

Multi-hypotheses Conditioned Point Cloud Diffusion for 3D Human Reconstruction from Occluded Images

3D human shape reconstruction under severe occlusion due to human-object or human-human interaction is a challenging problem. Parametric models i.e., SMPL(-X), which are based on the statistics across human shapes, can represent whole human body shapes but are limited to minimally-clothed human shapes. Implicit-function-based methods extract features from the parametric models to employ prior knowledge of human bodies and can capture geometric details such as clothing and hair. However, they often struggle to handle misaligned parametric models and inpaint occluded regions given a single RGB image. In this work, we propose a novel pipeline, MHCDIFF, Multi-hypotheses Conditioned Point Cloud Diffusion, composed of point cloud diffusion conditioned on probabilistic distributions for pixel-aligned detailed 3D human reconstruction under occlusion. Compared to previous implicit-function-based methods, the point cloud diffusion model can capture the global consistent features to generate the occluded regions, and the denoising process corrects the misaligned SMPL meshes. The core of MHCDIFF is extracting local features from multiple hypothesized SMPL(-X) meshes and aggregating the set of features to condition the diffusion model. In the experiments on CAPE and MultiHuman datasets, the proposed method outperforms various SOTA methods based on SMPL, implicit functions, point cloud diffusion, and their combined, under synthetic and real occlusions. Our code is publicly available at https://donghwankim0101.github.io/projects/mhcdiff/ .

Large Language Model Hacking: Quantifying the Hidden Risks of Using LLMs for Text Annotation

Large language models (LLMs) are rapidly transforming social science research by enabling the automation of labor-intensive tasks like data annotation and text analysis. However, LLM outputs vary significantly depending on the implementation choices made by researchers (e.g., model selection, prompting strategy, or temperature settings). Such variation can introduce systematic biases and random errors, which propagate to downstream analyses and cause Type I, Type II, Type S, or Type M errors. We call this LLM hacking. We quantify the risk of LLM hacking by replicating 37 data annotation tasks from 21 published social science research studies with 18 different models. Analyzing 13 million LLM labels, we test 2,361 realistic hypotheses to measure how plausible researcher choices affect statistical conclusions. We find incorrect conclusions based on LLM-annotated data in approximately one in three hypotheses for state-of-the-art models, and in half the hypotheses for small language models. While our findings show that higher task performance and better general model capabilities reduce LLM hacking risk, even highly accurate models do not completely eliminate it. The risk of LLM hacking decreases as effect sizes increase, indicating the need for more rigorous verification of findings near significance thresholds. Our extensive analysis of LLM hacking mitigation techniques emphasizes the importance of human annotations in reducing false positive findings and improving model selection. Surprisingly, common regression estimator correction techniques are largely ineffective in reducing LLM hacking risk, as they heavily trade off Type I vs. Type II errors. Beyond accidental errors, we find that intentional LLM hacking is unacceptably simple. With few LLMs and just a handful of prompt paraphrases, anything can be presented as statistically significant.

  • 7 authors
·
Sep 10, 2025 3

ResearchGym: Evaluating Language Model Agents on Real-World AI Research

We introduce ResearchGym, a benchmark and execution environment for evaluating AI agents on end-to-end research. To instantiate this, we repurpose five oral and spotlight papers from ICML, ICLR, and ACL. From each paper's repository, we preserve the datasets, evaluation harness, and baseline implementations but withhold the paper's proposed method. This results in five containerized task environments comprising 39 sub-tasks in total. Within each environment, agents must propose novel hypotheses, run experiments, and attempt to surpass strong human baselines on the paper's metrics. In a controlled evaluation of an agent powered by GPT-5, we observe a sharp capability--reliability gap. The agent improves over the provided baselines from the repository in just 1 of 15 evaluations (6.7%) by 11.5%, and completes only 26.5% of sub-tasks on average. We identify recurring long-horizon failure modes, including impatience, poor time and resource management, overconfidence in weak hypotheses, difficulty coordinating parallel experiments, and hard limits from context length. Yet in a single run, the agent surpasses the solution of an ICML 2025 Spotlight task, indicating that frontier agents can occasionally reach state-of-the-art performance, but do so unreliably. We additionally evaluate proprietary agent scaffolds including Claude Code (Opus-4.5) and Codex (GPT-5.2) which display a similar gap. ResearchGym provides infrastructure for systematic evaluation and analysis of autonomous agents on closed-loop research.

  • 3 authors
·
Feb 16 4

Bridging Protocol and Production: Design Patterns for Deploying AI Agents with Model Context Protocol

The Model Context Protocol (MCP) standardizes how AI agents discover and invoke external tools, with over 10,000 active servers and 97 million monthly SDK downloads as of early 2026. Yet MCP does not yet standardize how agents safely operate those tools at production scale. Three protocol-level primitives remain missing: identity propagation, adaptive tool budgeting, and structured error semantics. This paper identifies these gaps through field lessons from an enterprise deployment of an AI agent platform integrated with a major cloud provider's MCP servers (client name redacted). We propose three mechanisms to fill them: (1) the Context-Aware Broker Protocol (CABP), which extends JSON-RPC with identity-scoped request routing via a six-stage broker pipeline; (2) Adaptive Timeout Budget Allocation (ATBA), which frames sequential tool invocation as a budget allocation problem over heterogeneous latency distributions; and (3) the Structured Error Recovery Framework (SERF), which provides machine-readable failure semantics that enable deterministic agent self-correction. We organize production failure modes into five design dimensions (server contracts, user context, timeouts, errors, and observability), document concrete failure vignettes, and present a production readiness checklist. All three algorithms are formalized as testable hypotheses with reproducible experimental methodology. Field observations demonstrate that while MCP provides a solid protocol foundation, reliable agent tool integration requires infrastructure-level mechanisms that the specification does not yet address.

  • 1 authors
·
Mar 11

Specification Before Generation: A Pre-Registered, Five-Model Paired Evaluation of a Specification Frame for LLM-Generated Code in Money, Time, Idempotency, and Access Tasks

Code generated by large language models passes security checks at a rate that has barely moved in four years. In regulated backends, the defect classes that matter most are money arithmetic, time handling, retry safety, and access control. Teams answer with instruction files, yet the largest controlled study of instruction files to date found no benefit. This paper tests a narrower idea: generated code improves when the prompt carries a specification, a fixed preamble stating what must be true of the result. We pre-registered hypotheses, refuters, analysis code, and a one-shot generation rule, then ran 50 realistic backend tasks from finance, healthcare, and insurance practice through five frontier models from five vendor lineages, each task twice: bare, and preceded by a 267-word filled specification frame. Nine deterministic AST-based checkers scored the outputs. The Bandit security scanner, which knows nothing of the frame, scored them independently. The frame reduced defects in all five models (mean reduction 0.16 to 0.70 findings per task, every Holm-adjusted sign test significant, every bootstrap confidence interval excluding zero). Where the arms differed, the frame arm won 95 of 100 times. It never made any model worse in any domain. Bandit found 53 medium-or-high issues in the bare arm and 11 in the frame arm, in the same direction for every model. The effect was largest where a model's unprompted defaults were weakest: the frame supplies the discipline a model lacks. All 500 outputs, prompts, checkers, scoring code, and the pre-registration are published with a DOI, so any team can re-derive the result without trusting the author.

  • 1 authors
·
Sep 19 1

Characterizing Model-Native Skills

Skills are a natural unit for describing what a language model can do and how its behavior can be changed. However, existing characterizations rely on human-written taxonomies, textual descriptions, or manual profiling pipelines--all external hypotheses about what matters that need not align with the model's internal representations. We argue that when the goal is to intervene on model behavior, skill characterization should be *model-native*: grounded in the model's own representations rather than imposed through external ontologies. We instantiate this view by recovering a compact orthogonal basis from sequence-level activations. The resulting basis is semantically interpretable but need not correspond to any predefined human ontology; instead, it captures axes of behavioral variation that the model itself organizes around. We validate this characterization on reasoning post-training, using the recovered basis for both SFT data selection and inference-time steering. We develop lightweight proxy interventions to identify which directions are most useful for a given model. Across Llama3-8B and Qwen2.5-3B, selecting data along those directions improves Pass@1 by up to 20% on MATH and 41% on AMC, outperforming data selection based on human-characterized skills. Because the basis lives in activation space, the same directions also serve as steering vectors at inference time, improving Pass@8 by up to 4.8% on MATH--an intervention that human-characterized skills cannot support. We further validate the characterization on safety alignment, where selecting adversarial training data for model-native skill coverage rather than textual diversity yields more sample-efficient learning. These results suggest that recovering skills from the model's own representations, rather than imposing them externally, provides a more effective foundation for intervening on model behavior. Codes are open-sourced.

  • 4 authors
·
Apr 18

AgentFold: Closed-Loop Agentic Search for Protein Folding Model Design

Scientific LLM agents have shown promise in literature reasoning, tool use, and experiment planning, but it remains unclear whether they can autonomously improve large, tightly coupled scientific machine-learning systems through executable code changes and computationally expensive validation. We study this question in protein folding, where progress requires coordinated architectural modifications, multi-objective evaluation, and domain-aware interpretation. We present AgentFold, a multi-agent framework that formulates folding-model development as a closed-loop search over executable code variants. Starting from ESMFold, AgentFold proposes hypotheses, implements and debugs code-level modifications, evaluates model variants, analyzes experimental outcomes, and stores both successful and failed interventions in structured memory. An MCTS-style policy allocates computational resources across high-scoring search branches. On an engineering-scale protein-folding codebase comprising more than 2,000 lines of code, AgentFold explores approximately 80 model variants using approximately 5,000 GPU-hours and 170 million LLM tokens. Under a matched computational budget, AgentFold improves the best lDDT by 7.5% over independent Codex proposals and outperforms a random-search control. Beyond model improvement, the resulting intervention traces reveal recurring empirical design patterns: stable gains tend to arise from early, soft, learnable priors and gated refinement, whereas direct geometric perturbations and geometry-conditioned feedback often destabilize training. The code and experimental resources are publicly available at https://github.com/lmqfly/AgentFold.

  • 12 authors
·
Aug 27

Memento 3: Model-Based Recursive Self-Improvement through Reflective Rulebooks

Learning to act in unfamiliar environments requires agents to infer how the world works and revise that understanding as new evidence arrives. Yet limited observations can support multiple world models that explain past interactions but predict different outcomes in unseen states. We introduce Memento 3, building on the Memento series to enable frozen LLM agents to continually learn explicit world models through external memory. The agent maintains a natural-language rulebook as persistent semantic memory, recording revisable hypotheses about environment dynamics while leaving unknown aspects underspecified. It compiles this rulebook into executable code for prediction and planning. Through a continual loop of observation, reflection, rule revision, compilation, and verification, the agent uses prediction errors to refine both the rulebook and its code. Updated code is accepted only when the LLM judges it faithful to the rulebook and cell-exact replay reproduces the observed transitions. We investigate this process as a model-based route to recursive self-improvement (RSI): the agent autonomously explores the environment, revises its world model, and uses verified updates to guide subsequent interaction and learning, while the underlying LLM remains fixed. A population extension maintains multiple world models in parallel, sharing interaction evidence and using their predictions to guide exploration. On ARC-AGI-3, the single-model agent clears every level of all 25 public games, achieves a mean Relative Human Action Efficiency (RHAE) of 100.0, and uses 44% of the human action count. In an Atari Pong case study, a learned feedback controller wins 21:0 in each of three evaluated episodes with different openings, without further LLM calls.

Finite-Precision Symmetric Krylov Methods: Exact Rounding Examples, Block Paige Identities,and a Variable-Block Lanczos Model

Short-recurrence Krylov methods that are equivalent in exact arithmetic often diverge in floating-point arithmetic. To illustrate this, we provide an exactly representable two-cycle for steepest descent with a recursively updated residual. A complementary convergence theorem gives a sufficient condition under which the stored residual decreases geometrically. We then show that a second positive definite family yields different outcomes for a Hestenes--Stiefel Conjugate Gradient (CG) implementation and a direct Lanczos--Galerkin approach. CG finds the exact solution after four updates, whereas the two-step projected system becomes inconsistent. Under stated perturbation and transfer hypotheses, a common spectral enclosure gives comparable convergence bounds. For a dense, left-to-right evaluation order, we prove a sufficient precision bound for a prescribed backward error within n updates for an ntimes n matrix, together with a computable stopping test and specified exponent-range assumptions. We use polynomial estimates and numerical experiments to examine the trade-off between working precision and the number of CG iterations needed to achieve a prescribed backward error. We also compare results on inexact matrix-vector products and preconditioning with the frameworks of Paige and Greenbaum. For block Lanczos, we analyze Householder orthogonalization and singular-value truncation as the block size changes. Under componentwise and normwise error bounds, the computed coefficients satisfy a controlled local recurrence and an exact block Lanczos relation for a nearby symmetric problem in a larger space. A block form of Paige's identity bounds the overlap with a Ritz vector along its residual coordinate direction. An inter-block recurrence describes the evolution of overlap, and a Gram-matrix argument gives a count of additional nearby Ritz values.

  • 1 authors
·
Sep 7

DiscoveryRSI: Recursively Learning to Discover Valuable Hypotheses

Scientific discovery requires developing worthwhile hypotheses into practical investigations, yet learning from this evolving research process remains challenging. We introduce an operational definition of valuable and testable research hypotheses: evidence-grounded claims about consequential uncertainties, coupled with feasible investigations, explicit decision criteria, and alternative explanations. Our DiscoveryRSI framework develops hypothesis trees through multi-agent evolutionary search, compiles selected investigations into executable Harbor tasks, and recursively learns through three mechanisms: hypothesis credit optimization attributes scientific assessments to documented research contributions; harness replay identifies productive strategies and recurring failures to refine research workflows; and rediscovery applies accepted improvements to new investigations, generating further experience for subsequent learning. We also introduce DFM-Bench, which provides comprehensive assessment of hypothesis quality and cumulative research progress at the levels of hypotheses, revisions, development paths and research runs. Across four life-science domains, automated evaluation shows that hypothesis quality rises from 4.86 for the base model to 5.39 after two rounds of self-improvement, with the large gains in falsifiability and data resolvability. We further validate hypothesis quality through expert review, comparing our DiscoveryRSI-27B with other research agents. Preliminary human assessments show that DiscoveryRSI-27B scores higher than GPT-6 Luna on hypothesis importance and whether claims are plausible and evidence-bounded. DiscoveryRSI-27B achieved a 6.3% rate of hypothesis correspondence with research published after the model cutoff, largely outperform GPT-6 with 2.5% and Claude Opus 5 with 2.3%, while delivering greater human-rated improvement along research paths.

PhAILabs PhAI Labs
·
Oct 15 2

Using multiple ASR hypotheses to boost i18n NLU performance

Current voice assistants typically use the best hypothesis yielded by their Automatic Speech Recognition (ASR) module as input to their Natural Language Understanding (NLU) module, thereby losing helpful information that might be stored in lower-ranked ASR hypotheses. We explore the change in performance of NLU associated tasks when utilizing five-best ASR hypotheses when compared to status quo for two language datasets, German and Portuguese. To harvest information from the ASR five-best, we leverage extractive summarization and joint extractive-abstractive summarization models for Domain Classification (DC) experiments while using a sequence-to-sequence model with a pointer generator network for Intent Classification (IC) and Named Entity Recognition (NER) multi-task experiments. For the DC full test set, we observe significant improvements of up to 7.2% and 15.5% in micro-averaged F1 scores, for German and Portuguese, respectively. In cases where the best ASR hypothesis was not an exact match to the transcribed utterance (mismatched test set), we see improvements of up to 6.7% and 8.8% micro-averaged F1 scores, for German and Portuguese, respectively. For IC and NER multi-task experiments, when evaluating on the mismatched test set, we see improvements across all domains in German and in 17 out of 19 domains in Portuguese (improvements based on change in SeMER scores). Our results suggest that the use of multiple ASR hypotheses, as opposed to one, can lead to significant performance improvements in the DC task for these non-English datasets. In addition, it could lead to significant improvement in the performance of IC and NER tasks in cases where the ASR model makes mistakes.

  • 6 authors
·
Dec 7, 2020

Think Twice: Branch-and-Rethink Reasoning Reward Model

Large language models (LLMs) increasingly rely on thinking models that externalize intermediate steps and allocate extra test-time compute, with think-twice strategies showing that a deliberate second pass can elicit stronger reasoning. In contrast, most reward models (RMs) still compress many quality dimensions into a single scalar in one shot, a design that induces judgment diffusion: attention spreads across evaluation criteria, yielding diluted focus and shallow analysis. We introduce branch-and-rethink (BR-RM), a two-turn RM that transfers the think-twice principle to reward modeling. Turn 1 performs adaptive branching, selecting a small set of instance-critical dimensions (such as factuality and safety) and sketching concise, evidence-seeking hypotheses. Turn 2 executes branch-conditioned rethinking, a targeted reread that tests those hypotheses and scrutinizes only what matters most. We train with GRPO-style reinforcement learning over structured two-turn traces using a simple binary outcome reward with strict format checks, making the approach compatible with standard RLHF pipelines. By converting all-at-oncescoringintofocused, second-lookreasoning, BR-RMreducesjudgmentdiffusionandimproves sensitivity to subtle yet consequential errors while remaining practical and scalable. Experimental results demonstrate that our model achieves state-of-the-art performance on three challenging reward modeling benchmarks across diverse domains. The code and the model will be released soon.

  • 6 authors
·
Oct 27, 2025

HypoEvolve: Genetic Algorithms Enable Multi-Agent LLMs to Discover Scientific Hypotheses

Scientific agents contribute to hypothesis discovery by synthesizing evidence, assessing proposals, and developing new explanations. Recent systems combine scientific agents with evolutionary search through critique, comparison, and revision. However, how different forms of agent collaboration affect hypothesis quality remains an open question. Answering this question requires separating the effects of agents' scientific capabilities from those of their collaboration. A framework must therefore preserve agents' scientific roles and support rules for combining, revising, and retaining hypotheses. Building on this view, we introduce HypoEvolve, which makes collaboration explicit through successive updates to a hypothesis population. Specifically, we propose a generational genetic algorithm to coordinate specialized large language model (LLM) agents that integrate mechanistic arguments, reconsider assumptions, and assess evidence and testability. Each generation specifies how scientific judgments and new proposals reshape the population, making collaboration effects on hypothesis quality directly testable. Moreover, we design our evaluation around scientifically meaningful hypotheses that explain how a proposed intervention could work. Drug repurposing links these explanations to target-level biological claims assessed against external evidence. Specifically, we adapt DepMap and Open Targets into complementary external measures grounded in experimental, genetic, and clinical evidence. Across 34 cancer types, HypoEvolve achieves the highest scores against six baselines on both measures. DepMap selectivity reaches 0.171, versus 0.115 for the strongest baseline. Gains over single-pass generation also generalize to held-out cancer types. HypoEvolve advances a vision of autonomous science in which AI research teams achieve a capacity for discovery beyond that of individual models.

  • 13 authors
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Sep 13 2

Magic-W0: A Structured World-Action Foundation Model for Physical Intelligence

World-action models (WAMs) augment robot policies with action-conditioned environment dynamics, yet existing approaches largely rely on future observation reconstruction or generic latent prediction and lack structured, control-oriented world representations tightly coupled with action generation. We introduce Magic-W0, a world-action foundation model that jointly models structured physical state evolution and continuous actions. Magic-W0 represents interaction as a Structured World Transition consisting of Current State, Transition, and Future State. Current State combines vision-language context with Current 3D Geometry; Transition is represented by 3D Motion capturing action-induced three-dimensional changes; and Future State is represented by Future Semantics describing task-relevant outcomes. To couple prediction and control, we propose a layer-aligned world-action interaction architecture in which evolving action hypotheses condition world-transition prediction, while predicted world representations continuously inform action generation. Magic-W0 is pre-trained on large-scale egocentric human manipulation, UMI, real-robot, and simulation data, with latent supervision for geometry, 3D motion, and future semantics from pre-trained visual models. Inference-time interventions show that structured world representations respond systematically to changes in candidate actions and that action-related information propagates through shared 3D representations into future semantic predictions. On RoboDojo-Sim, Magic-W0 achieves an average Score of 27.10, the highest among the compared WAMs. Across multiple real-robot tasks, it also demonstrates strong downstream performance after fine-tuning with limited downstream data, supporting generalization and rapid adaptation.

  • 18 authors
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Oct 2 1

MEDNA-DFM: A Dual-View FiLM-MoE Model for Explainable DNA Methylation Prediction

Accurate computational identification of DNA methylation is essential for understanding epigenetic regulation. Although deep learning excels in this binary classification task, its "black-box" nature impedes biological insight. We address this by introducing a high-performance model MEDNA-DFM, alongside mechanism-inspired signal purification algorithms. Our investigation demonstrates that MEDNA-DFM effectively captures conserved methylation patterns, achieving robust distinction across diverse species. Validation on external independent datasets confirms that the model's generalization is driven by conserved intrinsic motifs (e.g., GC content) rather than phylogenetic proximity. Furthermore, applying our developed algorithms extracted motifs with significantly higher reliability than prior studies. Finally, empirical evidence from a Drosophila 6mA case study prompted us to propose a "sequence-structure synergy" hypothesis, suggesting that the GAGG core motif and an upstream A-tract element function cooperatively. We further validated this hypothesis via in silico mutagenesis, confirming that the ablation of either or both elements significantly degrades the model's recognition capabilities. This work provides a powerful tool for methylation prediction and demonstrates how explainable deep learning can drive both methodological innovation and the generation of biological hypotheses.

Self-Anchoring Calibration Drift in Large Language Models: How Multi-Turn Conversations Reshape Model Confidence

We introduce Self-Anchoring Calibration Drift (SACD), a hypothesized tendency for large language models (LLMs) to show systematic changes in expressed confidence when building iteratively on their own prior outputs across multi-turn conversations. We report an empirical study comparing three frontier models -- Claude Sonnet 4.6, Gemini 3.1 Pro, and GPT-5.2 -- across 150 questions spanning factual, technical, and open-ended domains, using three conditions: single-turn baseline (A), multi-turn self-anchoring (B), and independent repetition control (C). Results reveal a complex, model-heterogeneous pattern that partially diverges from pre-registered hypotheses. Claude Sonnet 4.6 exhibited significant decreasing confidence under self-anchoring (mean CDS = -0.032, t(14) = -2.43, p = .029, d = -0.627), while also showing significant calibration error drift (F(4,56) = 22.77, p < .001, eta^2 = .791). GPT-5.2 showed the opposite pattern in open-ended domains (mean CDS = +0.026) with significant ECE escalation by Turn 5. Gemini 3.1 Pro showed no significant CDS (t(14) = 0.38, p = .710), but its Condition C data reveals a striking ECE pattern: without self-anchoring, Gemini's calibration error drops from .327 to near zero across repetitions, whereas self-anchoring holds ECE flat at approximately .333 -- indicating that SACD can manifest as suppression of natural calibration improvement rather than ac

  • 1 authors
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Feb 28

How life-table right-censoring affected the Brazilian Social Security Factor: an application of the gamma-Gompertz-Makeham model

Automatic Adjustment Mechanisms (AAM) are legal instruments that help social security systems respond to demographic and economic changes. In Brazil, the Social Security Factor (SSF) was introduced in the late 1990s as an AAM to link retirement benefits to life expectancy at the retirement age, with the hope of promoting contributory justice and discouraging early retirement. Recent research has highlighted the limitations of right-censored life tables, such as those used in Brazil. It has recommended using the gamma-Gompertz-Makeham (GGM) model to estimate adult and old-age mortality. This study investigated the impact of right-censoring on the SSF by comparing the official SSF and other social security metrics with a counterfactual scenario computed based on fitted GGM models. The results indicate that from 2004 to 2012, official life tables may have negatively impacted retirees' income, particularly for those who delayed their retirement. Furthermore, the GGM-fitted models' life expectancies had more stable paths over time, which could have helped with long-term planning. This study's findings are significant for policymakers as they highlight the importance of using appropriate mortality metrics in AAMs to ensure accurate retirement benefit payments. They also underscore the need to consider the potential impacts of seemingly innocuous hypotheses on public action outcomes. Overall, this study provides valuable insights for public planners and policymakers looking to enhance the effectiveness and fairness of social security systems.

  • 3 authors
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Sep 11, 2023

Self-Evolving Recommendation System: End-To-End Autonomous Model Optimization With LLM Agents

Optimizing large-scale machine learning systems, such as recommendation models for global video platforms, requires navigating a massive hyperparameter search space and, more critically, designing sophisticated optimizers, architectures, and reward functions to capture nuanced user behaviors. Achieving substantial improvements in these areas is a non-trivial task, traditionally relying on extensive manual iterations to test new hypotheses. We propose a self-evolving system that leverages Large Language Models (LLMs), specifically those from Google's Gemini family, to autonomously generate, train, and deploy high-performing, complex model changes within an end-to-end automated workflow. The self-evolving system is comprised of an Offline Agent (Inner Loop) that performs high-throughput hypothesis generation using proxy metrics, and an Online Agent (Outer Loop) that validates candidates against delayed north star business metrics in live production. Our agents act as specialized Machine Learning Engineers (MLEs): they exhibit deep reasoning capabilities, discovering novel improvements in optimization algorithms and model architecture, and formulating innovative reward functions that target long-term user engagement. The effectiveness of this approach is demonstrated through several successful production launches at YouTube, confirming that autonomous, LLM-driven evolution can surpass traditional engineering workflows in both development velocity and model performance.

  • 5 authors
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Feb 10

R&D-Agent-Quant: A Multi-Agent Framework for Data-Centric Factors and Model Joint Optimization

Financial markets pose fundamental challenges for asset return prediction due to their high dimensionality, non-stationarity, and persistent volatility. Despite advances in large language models and multi-agent systems, current quantitative research pipelines suffer from limited automation, weak interpretability, and fragmented coordination across key components such as factor mining and model innovation. In this paper, we propose R&D-Agent for Quantitative Finance, in short RD-Agent(Q), the first data-centric multi-agent framework designed to automate the full-stack research and development of quantitative strategies via coordinated factor-model co-optimization. RD-Agent(Q) decomposes the quant process into two iterative stages: a Research stage that dynamically sets goal-aligned prompts, formulates hypotheses based on domain priors, and maps them to concrete tasks, and a Development stage that employs a code-generation agent, Co-STEER, to implement task-specific code, which is then executed in real-market backtests. The two stages are connected through a feedback stage that thoroughly evaluates experimental outcomes and informs subsequent iterations, with a multi-armed bandit scheduler for adaptive direction selection. Empirically, RD-Agent(Q) achieves up to 2X higher annualized returns than classical factor libraries using 70% fewer factors, and outperforms state-of-the-art deep time-series models on real markets. Its joint factor-model optimization delivers a strong balance between predictive accuracy and strategy robustness. Our code is available at: https://github.com/microsoft/RD-Agent.

  • 7 authors
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May 21, 2025

Before the Action: Benchmarking LLMs on Prospective Hypothesis Discovery

Large language models (LLMs) excel at answering pre-specified questions, yet their ability to navigate the open-ended, pre-conclusion stage of discovery remains largely unmeasured. We introduce Prospective Hypothesis Discovery (PHD), which asks models to autonomously construct grounded, discriminative, and testable hypothesis spaces from inconclusive evidence, including anomalous observations and fragmented records, to guide subsequent investigation. To evaluate this capability, we introduce HypoArena, comprising HypoData, a benchmark of 988 cases across six scientific and analytical domains, and HypoEval, an evaluation framework for open-ended hypothesis sets. To construct HypoData at scale, we propose Retrospective Context Regression, a Forge--Audit pipeline that reconstructs pre-conclusion contexts from completed expert documents by removing explicit conclusions, target hypotheses, and retrospective causal attributions while preserving the factual substrate. Because PHD admits multiple valid outputs, HypoEval combines bidirectional pairwise judgments with Bradley--Terry--Davidson aggregation for ranking and six-dimensional rubric scoring for diagnosis. Experiments on 15 frontier LLMs reveal clear capability stratification and model-dependent effects of structured analytical skills, with gains for several lower-performing models on HypoArena but regressions for other systems, including a top-performing model. Compared with absolute rubric scoring, arena evaluation resolves finer-grained differences among models, with aggregated rankings showing strong agreement with human experts and an independent judge. Together, these results support treating PHD as a distinct target for evaluating how LLMs formulate investigative directions when final conclusions are withheld. Our code and data are publicly available at github.com/SKYLENAGE-AI/HypoArena and github.com/SKYLENAGE-AI/HypoArena.

  • 18 authors
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Jul 16

The Ignition Index: Measuring Global Workspace Dynamics in Language Models

We introduce the Ignition Index (I), a validated scalar metric that operationalizes Global Workspace Theory's (GWT) all-or-none ignition prediction in transformer language models. The metric fits a four-parameter sigmoid to per-layer linear probe accuracy as a function of input signal strength, extracting steepness parameter beta-hat: high values indicate abrupt, ignition-like transitions; low values indicate graded build-up. Across 11 models spanning five architecture families, shuffled-label controls demonstrate 9.6-fold selectivity for genuine linguistic structure over spurious probe capacity (p < 0.001, Mann-Whitney U-test). We find: (1) Feedforward transformers exceed SSMs by 89% in aggregate beta-hat (p < 1e-13, Cohen's d = 0.52), with Mamba exhibiting near-linear profiles consistent with absent global broadcast. (2) Huginn-3.5B exhibits 2.12-fold higher ignition along its iteration axis than its depth axis, demonstrating that recurrent architectures manifest workspace-like transitions along the recurrence dimension. (3) Pythia-410M shows a PELT-detected phase transition at training step 256 (+67%), preceding induction-head formation. (4) Hypotheses linking ignition to model scale and signal strength were not confirmed, suggesting transformer architectures may saturate available ignition mechanisms. The Ignition Index provides the first validated quantitative bridge between GWT's dynamical predictions and mechanistic interpretability, with 9.6-fold measurement selectivity and architecture-level discriminability not previously characterized in the scaling literature. Code: https://github.com/saman-rahbar/ignition-index

  • 1 authors
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May 25

Mimicking the Physicist's Eye:A VLM-centric Approach for Physics Formula Discovery

Automated discovery of physical laws from observational data in the real world is a grand challenge in AI. Current methods, relying on symbolic regression or LLMs, are limited to uni-modal data and overlook the rich, visual phenomenological representations of motion that are indispensable to physicists. This "sensory deprivation" severely weakens their ability to interpret the inherent spatio-temporal patterns within dynamic phenomena. To address this gap, we propose VIPER-R1, a multimodal model that performs Visual Induction for Physics-based Equation Reasoning to discover fundamental symbolic formulas. It integrates visual perception, trajectory data, and symbolic reasoning to emulate the scientific discovery process. The model is trained via a curriculum of Motion Structure Induction (MSI), using supervised fine-tuning to interpret kinematic phase portraits and to construct hypotheses guided by a Causal Chain of Thought (C-CoT), followed by Reward-Guided Symbolic Calibration (RGSC) to refine the formula structure with reinforcement learning. During inference, the trained VIPER-R1 acts as an agent: it first posits a high-confidence symbolic ansatz, then proactively invokes an external symbolic regression tool to perform Symbolic Residual Realignment (SR^2). This final step, analogous to a physicist's perturbation analysis, reconciles the theoretical model with empirical data. To support this research, we introduce PhysSymbol, a new 5,000-instance multimodal corpus. Experiments show that VIPER-R1 consistently outperforms state-of-the-art VLM baselines in accuracy and interpretability, enabling more precise discovery of physical laws. Project page: https://jiaaqiliu.github.io/VIPER-R1/

  • 15 authors
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Aug 24, 2025 2

Learn from the Learnt: Source-Free Active Domain Adaptation via Contrastive Sampling and Visual Persistence

Domain Adaptation (DA) facilitates knowledge transfer from a source domain to a related target domain. This paper investigates a practical DA paradigm, namely Source data-Free Active Domain Adaptation (SFADA), where source data becomes inaccessible during adaptation, and a minimum amount of annotation budget is available in the target domain. Without referencing the source data, new challenges emerge in identifying the most informative target samples for labeling, establishing cross-domain alignment during adaptation, and ensuring continuous performance improvements through the iterative query-and-adaptation process. In response, we present learn from the learnt (LFTL), a novel paradigm for SFADA to leverage the learnt knowledge from the source pretrained model and actively iterated models without extra overhead. We propose Contrastive Active Sampling to learn from the hypotheses of the preceding model, thereby querying target samples that are both informative to the current model and persistently challenging throughout active learning. During adaptation, we learn from features of actively selected anchors obtained from previous intermediate models, so that the Visual Persistence-guided Adaptation can facilitate feature distribution alignment and active sample exploitation. Extensive experiments on three widely-used benchmarks show that our LFTL achieves state-of-the-art performance, superior computational efficiency and continuous improvements as the annotation budget increases. Our code is available at https://github.com/lyumengyao/lftl.

  • 7 authors
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Jul 26, 2024

Solving robust MDPs as a sequence of static RL problems

Designing control policies whose performance level is guaranteed to remain above a given threshold in a span of environments is a critical feature for the adoption of reinforcement learning (RL) in real-world applications. The search for such robust policies is a notoriously difficult problem, related to the so-called dynamic model of transition function uncertainty, where the environment dynamics are allowed to change at each time step. But in practical cases, one is rather interested in robustness to a span of static transition models throughout interaction episodes. The static model is known to be harder to solve than the dynamic one, and seminal algorithms, such as robust value iteration, as well as most recent works on deep robust RL, build upon the dynamic model. In this work, we propose to revisit the static model. We suggest an analysis of why solving the static model under some mild hypotheses is a reasonable endeavor, based on an equivalence with the dynamic model, and formalize the general intuition that robust MDPs can be solved by tackling a series of static problems. We introduce a generic meta-algorithm called IWOCS, which incrementally identifies worst-case transition models so as to guide the search for a robust policy. Discussion on IWOCS sheds light on new ways to decouple policy optimization and adversarial transition functions and opens new perspectives for analysis. We derive a deep RL version of IWOCS and demonstrate it is competitive with state-of-the-art algorithms on classical benchmarks.

  • 3 authors
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Oct 8, 2024

On the Foundations of Shortcut Learning

Deep-learning models can extract a rich assortment of features from data. Which features a model uses depends not only on predictivity-how reliably a feature indicates train-set labels-but also on availability-how easily the feature can be extracted, or leveraged, from inputs. The literature on shortcut learning has noted examples in which models privilege one feature over another, for example texture over shape and image backgrounds over foreground objects. Here, we test hypotheses about which input properties are more available to a model, and systematically study how predictivity and availability interact to shape models' feature use. We construct a minimal, explicit generative framework for synthesizing classification datasets with two latent features that vary in predictivity and in factors we hypothesize to relate to availability, and quantify a model's shortcut bias-its over-reliance on the shortcut (more available, less predictive) feature at the expense of the core (less available, more predictive) feature. We find that linear models are relatively unbiased, but introducing a single hidden layer with ReLU or Tanh units yields a bias. Our empirical findings are consistent with a theoretical account based on Neural Tangent Kernels. Finally, we study how models used in practice trade off predictivity and availability in naturalistic datasets, discovering availability manipulations which increase models' degree of shortcut bias. Taken together, these findings suggest that the propensity to learn shortcut features is a fundamental characteristic of deep nonlinear architectures warranting systematic study given its role in shaping how models solve tasks.

  • 4 authors
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Oct 24, 2023

MindZero: Learning Online Mental Reasoning With Zero Annotations

Effective real-world assistance requires AI agents with robust Theory of Mind (ToM): inferring human mental states from their behavior. Despite recent advances, several key challenges remain, including (1) online inference with robust uncertainty updates over multiple hypotheses; (2) efficient reasoning suitable for real-time assistance; and (3) the lack of ground-truth mental state annotations in real-world domains. We address these challenges by introducing MindZero, a self-supervised reinforcement learning framework that trains multimodal large language models (MLLMs) for efficient and robust online mental reasoning. During training, the model is rewarded for generating mental state hypotheses that maximize the likelihood of observed actions estimated by a planner, similar to model-based ToM reasoning. This method thus eliminates the need for explicit mental state annotations. After training, MindZero internalizes model-based reasoning into fast single-pass inference. We evaluate MindZero against baselines across challenging mental reasoning and AI assistance tasks in gridworld and household domains. We found that LLMs alone are insufficient; model-based methods improve accuracy but are slow, costly, and limited by backbone MLLM capacity. In contrast, MindZero enhances MLLMs' intrinsic ToM ability and significantly outperforms model-based methods in both accuracy and efficiency, showing that mental reasoning can be effectively learned as a self-supervised skill.

Representational Capacity: Geometric Limits on Feature Representation in Transformer Language Models

Model dimension (d_{model}) is a fundamental hyperparameter in transformer language models, yet its role in setting the geometric limits of feature representation remains under-explored. Grounded in the Linear Representation and Superposition Hypotheses - which propose that models encode features as near-orthogonal directions in latent space - we develop a framework for estimating how many such directions a model can support. We first establish the embedding matrix as a measurable proxy for near-orthogonality constraints across the latent space: the boundary between meaningful token relationships and incidental similarity in the pairwise cosine similarity distribution gives a concrete estimate of the model's accepted deviation varepsilon from perfect orthogonality. Applying this metric across dozens of open-source models reveals two classes: models with high varepsilon whose embeddings lack near-orthogonal structure, and models with low varepsilon that maintain it. We then show that the standard Johnson-Lindenstrauss lemma greatly underestimates the packing efficiency of trained representations, and derive an adjusted capacity formula in which the number of near-orthogonal directions depends on the ratio of vectors to dimensions (k/d) rather than the raw count - a single modification that cuts prediction error by two orders of magnitude with no extra parameters. Combining these results, we define representational capacity as an upper bound on the number of distinguishable directions available for features and embeddings in a model's latent space. Capacity is exponentially sensitive to varepsilon, and larger models favor tighter orthogonality constraints over maximizing raw capacity - a pattern compatible with several explanations (a stability-capacity trade-off, a ceiling on usable concepts, or confounds with model scale) that we leave to future work.

  • 1 authors
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May 31

DiffPose: Multi-hypothesis Human Pose Estimation using Diffusion models

Traditionally, monocular 3D human pose estimation employs a machine learning model to predict the most likely 3D pose for a given input image. However, a single image can be highly ambiguous and induces multiple plausible solutions for the 2D-3D lifting step which results in overly confident 3D pose predictors. To this end, we propose DiffPose, a conditional diffusion model, that predicts multiple hypotheses for a given input image. In comparison to similar approaches, our diffusion model is straightforward and avoids intensive hyperparameter tuning, complex network structures, mode collapse, and unstable training. Moreover, we tackle a problem of the common two-step approach that first estimates a distribution of 2D joint locations via joint-wise heatmaps and consecutively approximates them based on first- or second-moment statistics. Since such a simplification of the heatmaps removes valid information about possibly correct, though labeled unlikely, joint locations, we propose to represent the heatmaps as a set of 2D joint candidate samples. To extract information about the original distribution from these samples we introduce our embedding transformer that conditions the diffusion model. Experimentally, we show that DiffPose slightly improves upon the state of the art for multi-hypothesis pose estimation for simple poses and outperforms it by a large margin for highly ambiguous poses.

  • 2 authors
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Nov 29, 2022

Efficient and Principled Scientific Discovery through Bayesian Optimization: A Tutorial

Traditional scientific discovery relies on an iterative hypothesise-experiment-refine cycle that has driven progress for centuries, but its intuitive, ad-hoc implementation often wastes resources, yields inefficient designs, and misses critical insights. This tutorial presents Bayesian Optimisation (BO), a principled probability-driven framework that formalises and automates this core scientific cycle. BO uses surrogate models (e.g., Gaussian processes) to model empirical observations as evolving hypotheses, and acquisition functions to guide experiment selection, balancing exploitation of known knowledge and exploration of uncharted domains to eliminate guesswork and manual trial-and-error. We first frame scientific discovery as an optimisation problem, then unpack BO's core components, end-to-end workflows, and real-world efficacy via case studies in catalysis, materials science, organic synthesis, and molecule discovery. We also cover critical technical extensions for scientific applications, including batched experimentation, heteroscedasticity, contextual optimisation, and human-in-the-loop integration. Tailored for a broad audience, this tutorial bridges AI advances in BO with practical natural science applications, offering tiered content to empower cross-disciplinary researchers to design more efficient experiments and accelerate principled scientific discovery.

  • 14 authors
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Mar 31 2

ProjectionBench: Evaluating Scientific Hypothesis Generation in LLMs Under Progressive Information Disclosure

Scientific discovery is an inherently creative and uncertain process, requiring reasoning beyond the recall of known knowledge. While many benchmarks have been proposed to evaluate large language model (LLM) performance on deep research tasks via multi-hop retrieval, their innovative reasoning abilities essential for true scientific discovery remain largely untested. We introduce a benchmark framework for evaluating model performance in scientific discovery and reasoning, building up from a raw problem to the classical null hypothesis test. In our framework, models initially receive only the topic and research question from a recent paper, with technical details progressively revealed. At each stage of information disclosure, the model is tasked with generating hypotheses that address the research question, which is compared with the conclusions from the original paper and evaluated via automated semantic similarity of constituent atomic claims. This progressive evaluation of semantic divergence from ground-truth conclusions enables assessment of a model's innovativeness (under minimal information) to grounded reasoning capabilities (under full experimental details), both critical for using LLMs for scientific discovery purposes. Our framework provides a foundation for systematically evaluating scientific reasoning and discovery capabilities in LLMs, crucial for advancing the development of next-generation AI scientist/co-scientist systems. Specifically, here we evaluate GPT-5, GPT-5.4, Gemini 2.5 pro, and Gemini 3.1 pro preview across 45 papers spanning bioactive materials, mechanical materials, and nanomaterials. We find that GPT-5.4 and Gemini 3.1 pro outperform their previous generation counterparts as expected, and GPT-5.4 in particular maintains 0.7 F1 score alignment with ground truth conclusions even under minimal context.

  • 3 authors
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May 27

FROST-STA: Frozen Dense Features for the Ego4D Short-Term Object Interaction Anticipation

Short-term anticipation in egocentric video requires more than recognizing the current scene: a system must infer which object the camera wearer will contact, which action will follow, and how soon the contact will happen. This report describes FROST-STA, our submission to the Ego4D Short-Term Object Interaction Anticipation (STA) Challenge at EgoVis 2026. For each query time, the model produces a ranked set of structured hypotheses containing an active-object box, noun label, verb label, time-to-contact (TTC), and confidence. FROST-STA builds on the V-JEPA 2.1 STA evaluation protocol, but adapts it to the challenge by using object-centric decoding, multi-head prediction, and a submission-oriented training and ensembling recipe. We keep the V-JEPA 2.1 ViT-G backbone fixed and extract two dense token streams: video tokens from a short clip resized to 384 pixels before the query, and image tokens from the last observed high-resolution frame. A compact alignment module, consisting of an attentive probe and frame-guided temporal pooling, maps the clip representation onto the spatial reference of the final frame before fusing it with image features. The fused maps are decoded by Faster R-CNN-style STA heads that estimate box offsets, nouns, verbs, TTC values, and interaction quality. For the final leaderboard entry, we train for 25 epochs with the official training split plus additional permitted validation annotations, and combine predictions across eight heads and checkpoints from epochs 15-25. FROST-STA obtains 5.13 Overall Top-5 mAP on the official test server, ranking second in the challenge and showing that frozen dense image-video features can serve as a strong basis for object-level interaction forecasting.

  • 2 authors
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May 29

NEVIS'22: A Stream of 100 Tasks Sampled from 30 Years of Computer Vision Research

A shared goal of several machine learning communities like continual learning, meta-learning and transfer learning, is to design algorithms and models that efficiently and robustly adapt to unseen tasks. An even more ambitious goal is to build models that never stop adapting, and that become increasingly more efficient through time by suitably transferring the accrued knowledge. Beyond the study of the actual learning algorithm and model architecture, there are several hurdles towards our quest to build such models, such as the choice of learning protocol, metric of success and data needed to validate research hypotheses. In this work, we introduce the Never-Ending VIsual-classification Stream (NEVIS'22), a benchmark consisting of a stream of over 100 visual classification tasks, sorted chronologically and extracted from papers sampled uniformly from computer vision proceedings spanning the last three decades. The resulting stream reflects what the research community thought was meaningful at any point in time, and it serves as an ideal test bed to assess how well models can adapt to new tasks, and do so better and more efficiently as time goes by. Despite being limited to classification, the resulting stream has a rich diversity of tasks from OCR, to texture analysis, scene recognition, and so forth. The diversity is also reflected in the wide range of dataset sizes, spanning over four orders of magnitude. Overall, NEVIS'22 poses an unprecedented challenge for current sequential learning approaches due to the scale and diversity of tasks, yet with a low entry barrier as it is limited to a single modality and well understood supervised learning problems. Moreover, we provide a reference implementation including strong baselines and an evaluation protocol to compare methods in terms of their trade-off between accuracy and compute.

  • 20 authors
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Nov 15, 2022

Modeling Depth Ambiguity: A Mixture-Density Representation for Flying-Point-Free Depth Estimation

Despite advances in depth estimation, flying points remain a persistent failure mode: near object boundaries, depth estimators often predict spurious 3D points in the empty space between foreground and background surfaces. We trace this artifact to a standard modeling choice: assigning each pixel a single depth hypothesis. At boundaries, a pixel can straddle a foreground and a background surface, so its true depth is ambiguous between the two. A model that predicts a single depth cannot keep both possibilities, so training instead pulls the prediction toward an intermediate depth that lies on neither surface. We address this with MDA, a mixture-density representation that lets the model predict multiple depth hypotheses and their associated probabilities for each pixel. Near boundaries, different hypotheses can align with different surfaces, and the decoded depth is selected from one of these hypotheses rather than placed in the empty space between them. Across different backbones, MDA substantially improves boundary reconstruction and largely removes flying-point artifacts even under severe input blur, while adding negligible runtime overhead. The same mixture-density framework naturally extends to transparent objects, where it predicts multiple depth layers at transparent pixels, and to sky regions, where a dedicated component separates the unbounded sky from finite-depth regions, producing flying-point-free skylines. Project Page: https://biansy000.github.io/mda-site/.

  • 3 authors
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May 31

From Street Views to Urban Science: Discovering Road Safety Factors with Multimodal Large Language Models

Urban and transportation research has long sought to uncover statistically meaningful relationships between key variables and societal outcomes such as road safety, to generate actionable insights that guide the planning, development, and renewal of urban and transportation systems. However, traditional workflows face several key challenges: (1) reliance on human experts to propose hypotheses, which is time-consuming and prone to confirmation bias; (2) limited interpretability, particularly in deep learning approaches; and (3) underutilization of unstructured data that can encode critical urban context. Given these limitations, we propose a Multimodal Large Language Model (MLLM)-based approach for interpretable hypothesis inference, enabling the automated generation, evaluation, and refinement of hypotheses concerning urban context and road safety outcomes. Our method leverages MLLMs to craft safety-relevant questions for street view images (SVIs), extract interpretable embeddings from their responses, and apply them in regression-based statistical models. UrbanX supports iterative hypothesis testing and refinement, guided by statistical evidence such as coefficient significance, thereby enabling rigorous scientific discovery of previously overlooked correlations between urban design and safety. Experimental evaluations on Manhattan street segments demonstrate that our approach outperforms pretrained deep learning models while offering full interpretability. Beyond road safety, UrbanX can serve as a general-purpose framework for urban scientific discovery, extracting structured insights from unstructured urban data across diverse socioeconomic and environmental outcomes. This approach enhances model trustworthiness for policy applications and establishes a scalable, statistically grounded pathway for interpretable knowledge discovery in urban and transportation studies.

  • 7 authors
·
Jun 2, 2025

Mechanist: AI as a Scientific Instrument for Discovering the Mechanisms of Intelligence

AI models have achieved remarkable success across diverse domains, yet the mechanisms underlying their capabilities and the risks they may pose remain poorly understood. As AI development becomes faster and increasingly automated, mechanistic exploration remains largely manual, widening the gap between what models can do and our ability to understand and control them. To bridge this gap, we introduce Mechanist, an agentic system that uses AI as a scientific instrument for the autonomous discovery of mechanisms underlying AI intelligence. To support autonomous mechanistic discovery, we construct an interpretability-focused knowledge graph of approximately 13,000 papers and integrate it with a multidisciplinary database of 43 million papers spanning 26 fields. We further curate a library of 32 foundational methods for mechanism analysis, causal intervention, and validation. Compared with Claude Code and existing AI-scientist systems, Mechanist generates more valuable mechanism hypotheses and executes experiments more reliably. Mechanist also demonstrates a progression from discovering model behaviors to explaining and controlling AI models. Specifically, Mechanist first uncovers a counterintuitive safety risk in scientific laboratories, showing that unsafe traits can transfer across modalities through apparently safe training data. Mechanist then develops a mechanism theory of belief, revealing how models represent world knowledge, form beliefs, infer the beliefs of others, and how these mechanisms emerge during pretraining. Finally, Mechanist translates these mechanistic insights into practical interventions that improve model performance across diverse scenarios and steer scientific foundation models toward generating DNA sequences with specified properties.

zjunlp ZJUNLP
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Aug 11 2

Networked Intelligence: Active Shared Context Graphs for Human-AI Team Science

Most AI-for-science systems focus on scaling a single reasoning process by using better models, larger context windows, long-horizon agentic execution, or digital co-scientists working with one principal user. However, challenging scientific problems are rarely solved by one reasoner alone. They are solved by teams whose members carry different priors, experimental background, tacit knowledge, and domain-trained intuitions. The open problem is therefore not only how to scale models, but how to develop "networked intelligence", scaling the connections between humans and AI systems so that a result or hypothesis produced in one context reaches another person, agent, instrument or robot that can act on it. We introduce Mycelium, an active shared workspace that automatically connects researchers and AI agents. As human users and agents work, the system captures important observations and hypotheses, tracks how they relate to the team's evolving knowledge model, and routes them to the person or agent whose next decision they can inform. We evaluate Mycelium through a real-world scientific discovery use case: a biological multi-omics campaign where shared context turned a local analytical finding into a cross-expert mechanistic constraint and ultimately into an experimental design. Finally, we describe networked intelligence as sparse conditional computation over distributed scientific contexts. This framework establishes when a scaled standalone agent is sufficient, and when isolated data and specialized expertise make a networked approach essential.

  • 18 authors
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Jul 28

VQIL: Visible Quantum Interference Learning for Perturbation Response Ranking on Graphs

Learning how local perturbations affect a network is important for identifying which components drive or absorb a system's response. We formulate this as seed-conditioned response ranking: given a perturbation at one seed node, ranking all other nodes by response strength. This is challenging when the model is given only the interaction topology, while the mechanism governing how perturbations propagate must be learned from data. We present VQIL (Visible Quantum Interference Learning), a trainable Szegedy quantum walk for seed-conditioned ranking. Edge weights, link phases, and per-node phase rotations are optimized end-to-end by backpropagation while the walk operator remains unitary throughout training. Node scores are obtained from a geometrically discounted coherent sum of quantum-walk amplitudes, enabling quantum interference before the final squared-norm readout. Because each learned parameter is attached to a named edge or node, the trained model provides directly inspectable hypotheses about the roles of individual graph components in the propagation mechanism. On AC power-flow perturbations over six transmission grids, with electrical parameters withheld from the model, VQIL improves Spearman rank correlation from 0.147 for the untrained walk to 0.831 and outperforms an identically trained random-walk model. On gene perturbation over five protein-protein interaction networks with Perturb-seq supervision, VQIL improves rank correlation from 0.171 to 0.620, outperforming the strongest learned classical and neural baselines. These results show that trainable quantum-walk interference provides a scalable and interpretable inductive bias for learning seed-conditioned response rankings on graphs.

  • 4 authors
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Oct 8

Modeling speech emotion with label variance and analyzing performance across speakers and unseen acoustic conditions

Spontaneous speech emotion data usually contain perceptual grades where graders assign emotion score after listening to the speech files. Such perceptual grades introduce uncertainty in labels due to grader opinion variation. Grader variation is addressed by using consensus grades as groundtruth, where the emotion with the highest vote is selected. Consensus grades fail to consider ambiguous instances where a speech sample may contain multiple emotions, as captured through grader opinion uncertainty. We demonstrate that using the probability density function of the emotion grades as targets instead of the commonly used consensus grades, provide better performance on benchmark evaluation sets compared to results reported in the literature. We show that a saliency driven foundation model (FM) representation selection helps to train a state-of-the-art speech emotion model for both dimensional and categorical emotion recognition. Comparing representations obtained from different FMs, we observed that focusing on overall test-set performance can be deceiving, as it fails to reveal the models generalization capacity across speakers and gender. We demonstrate that performance evaluation across multiple test-sets and performance analysis across gender and speakers are useful in assessing usefulness of emotion models. Finally, we demonstrate that label uncertainty and data-skew pose a challenge to model evaluation, where instead of using the best hypothesis, it is useful to consider the 2- or 3-best hypotheses.

  • 4 authors
·
Mar 24, 2025

ThinkRL-Edit: Thinking in Reinforcement Learning for Reasoning-Centric Image Editing

Instruction-driven image editing with unified multimodal generative models has advanced rapidly, yet their underlying visual reasoning remains limited, leading to suboptimal performance on reasoning-centric edits. Reinforcement learning (RL) has been investigated for improving the quality of image editing, but it faces three key challenges: (1) limited reasoning exploration confined to denoising stochasticity, (2) biased reward fusion, and (3) unstable VLM-based instruction rewards. In this work, we propose ThinkRL-Edit, a reasoning-centric RL framework that decouples visual reasoning from image synthesis and expands reasoning exploration beyond denoising. To the end, we introduce Chain-of-Thought (CoT)-based reasoning sampling with planning and reflection stages prior to generation in online sampling, compelling the model to explore multiple semantic hypotheses and validate their plausibility before committing to a visual outcome. To avoid the failures of weighted aggregation, we propose an unbiased chain preference grouping strategy across multiple reward dimensions. Moreover, we replace interval-based VLM scores with a binary checklist, yielding more precise, lower-variance, and interpretable rewards for complex reasoning. Experiments show our method significantly outperforms prior work on reasoning-centric image editing, producing instruction-faithful, visually coherent, and semantically grounded edits.

ByteDance ByteDance
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Jan 6 1

The Structure of Quantization Damage in LLMs: Why the Next Bit Should Be Spent Globally

Post-training quantization (PTQ) is widely used to reduce the cost of serving large language models (LLMs), but its accuracy cost is uneven and is often tuned per model. We study where quantization damage occurs and how to allocate a small additional precision budget. Using causal mixed-precision intervention as ground truth (raise each layer to 8-bit in turn and measure the accuracy it recovers) across 9 open-weight models in 4 architecture families, we test 3 intuitive hypotheses: that quantization damage lives in task circuits, where the model computes, or in weight statistics. None of them predicts which layers benefit from restored precision. Recovery is instead diffuse: for 8 of 9 models, recovering 75% of the gap takes roughly half the layers; the lone exception, Qwen3-8B, is sharply concentrated. At a matched precision budget, spending it globally on finer quantization granularity beats locally repairing the most recoverable layers for all 8 group-128-compatible models (all but OpenLLaMA, whose width rules out group-128), by 21-52 points, including the concentrated Qwen3-8B. We report 2 secondary findings: the residual is budget-limited (8-bit is near-lossless in our evaluation across RTN, GPTQ, and AWQ), and the location of peak recovery correlates with architecture within a family, though not across families. Within this budget setting, global granularity is a better default than selectively protecting critical layers. More broadly, cheap signals that correlate with quantization damage do not necessarily identify where restoring precision improves accuracy; this must be tested with causal intervention.

  • 2 authors
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Aug 31

Quantize by Drift: Label-Free Mixed-Precision Post-Training Quantization for Text Embedders

Mixed-precision post-training quantization needs a per-module sensitivity signal; for a text embedder the obvious one -- the retrieval quality a module costs when quantized -- needs relevance labels that deployments rarely have. We measure a label-free substitute: quantization-induced representation drift, obtained by quantizing one module, re-encoding the corpus, and recording how far the output embeddings moved from their full-precision positions. What is specific is the observable: the deployed output representation a dense retriever ranks with. Across five development embedders, configuration-level drift orders sampled mixed-precision plans against held-out retrieval quality at a macro Spearman of 0.911, the sensitivity transports across calibration corpora and retrieval domains in the usable regime, module drifts compose rank-consistently but not numerically, and relevance-derived sensitivity adds no consistent value. The method is one additive allocation under a hard packed-byte budget, with no labels and no search. On three embedders held untouched until method, baselines and hypotheses were frozen and sealed, the pre-registered directional hypothesis against the prior LieQ criterion holds (3/3 at the main budget, no collapse) and drift scores above a two-sided LieQ steelman in 2/3; but at the main budget drift is numerically lower than same-budget uniform precision on all three (-0.99, -0.85, -1.01 points), having reduced module and whole-model drift as designed. Output drift is thus a robust coarse sensitivity signal, not a universally optimal allocation objective: it avoids the catastrophic failures of the transferred signed-geometry adaptation and can remain usable at stressed budgets where uniform collapses, but fine-grained redistribution around a strong uniform operating point remains unresolved.

  • 3 authors
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Oct 5

Sparks of Science: Hypothesis Generation Using Structured Paper Data

Generating novel and creative scientific hypotheses is a cornerstone in achieving Artificial General Intelligence. Large language and reasoning models have the potential to aid in the systematic creation, selection, and validation of scientifically informed hypotheses. However, current foundation models often struggle to produce scientific ideas that are both novel and feasible. One reason is the lack of a dedicated dataset that frames Scientific Hypothesis Generation (SHG) as a Natural Language Generation (NLG) task. In this paper, we introduce HypoGen, the first dataset of approximately 5500 structured problem-hypothesis pairs extracted from top-tier computer science conferences structured with a Bit-Flip-Spark schema, where the Bit is the conventional assumption, the Spark is the key insight or conceptual leap, and the Flip is the resulting counterproposal. HypoGen uniquely integrates an explicit Chain-of-Reasoning component that reflects the intellectual process from Bit to Flip. We demonstrate that framing hypothesis generation as conditional language modelling, with the model fine-tuned on Bit-Flip-Spark and the Chain-of-Reasoning (and where, at inference, we only provide the Bit), leads to improvements in the overall quality of the hypotheses. Our evaluation employs automated metrics and LLM judge rankings for overall quality assessment. We show that by fine-tuning on our HypoGen dataset we improve the novelty, feasibility, and overall quality of the generated hypotheses. The HypoGen dataset is publicly available at huggingface.co/datasets/UniverseTBD/hypogen-dr1.

  • 7 authors
·
Apr 17, 2025

SRHarness: A Harness for Agentic Symbolic Regression

Recent agentic symbolic regression approaches increasingly rely on large language models to analyze data, select scientific operations, and refine hypotheses over long search trajectories. In such systems, performance depends not only on the underlying model and search strategy, but also on the runtime infrastructure that supports scientific search. We introduce SRHarness, a domain-specific harness for agentic symbolic regression built around three mechanisms: composable scientific actions that provide a common interface over raw, transformed, and candidate-derived quantities; persistent scientific state that retains evaluated hypotheses and exposes compact model-facing views; and trajectory lifecycle management that coordinates continuation, branching, restart, and termination. On LLM-SRBench, SRHarness consistently improves both numerical generalization and symbolic recovery under matched LLM backbones. With DeepSeek-v4-flash-0731, it achieves 93.69% symbolic accuracy on LSR-Transform, compared with 62.16% for SR-Scientist, and retains 72.97% accuracy on an anonymized variant that removes scientific descriptions and variable semantics, versus 39.64% for SR-Scientist. Under the same DeepSeek-v4-flash-0731 backbone, SRHarness also substantially outperforms Codex (72.97% vs. 20.72%) and reaches performance comparable to Codex with GPT-5.5, while simply providing Codex with the same scientific tools does not reproduce this advantage. These results show that effective agentic symbolic regression depends not only on models or tools, but also on structured runtime support for organizing scientific actions, accumulated hypotheses, and long-horizon search.

  • 5 authors
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Sep 27

Toward Reliable Biomedical Hypothesis Generation: Evaluating Truthfulness and Hallucination in Large Language Models

Large language models (LLMs) have shown significant potential in scientific disciplines such as biomedicine, particularly in hypothesis generation, where they can analyze vast literature, identify patterns, and suggest research directions. However, a key challenge lies in evaluating the truthfulness of generated hypotheses, as verifying their accuracy often requires substantial time and resources. Additionally, the hallucination problem in LLMs can lead to the generation of hypotheses that appear plausible but are ultimately incorrect, undermining their reliability. To facilitate the systematic study of these challenges, we introduce TruthHypo, a benchmark for assessing the capabilities of LLMs in generating truthful biomedical hypotheses, and KnowHD, a knowledge-based hallucination detector to evaluate how well hypotheses are grounded in existing knowledge. Our results show that LLMs struggle to generate truthful hypotheses. By analyzing hallucinations in reasoning steps, we demonstrate that the groundedness scores provided by KnowHD serve as an effective metric for filtering truthful hypotheses from the diverse outputs of LLMs. Human evaluations further validate the utility of KnowHD in identifying truthful hypotheses and accelerating scientific discovery. Our data and source code are available at https://github.com/Teddy-XiongGZ/TruthHypo.

  • 8 authors
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May 20, 2025 2