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MindForge: Empowering Embodied Agents with Theory of Mind for Lifelong Cultural Learning
Embodied agents powered by large language models (LLMs), such as Voyager, promise open-ended competence in worlds such as Minecraft. However, when powered by open-weight LLMs they still falter on elementary tasks after domainspecific fine-tuning. We propose MINDFORGE, a generative-agent framework for cultural lifelong learning through explicit perspective taking. We introduce three key innovations: (1) a structured theory of mind representation linking percepts, beliefs, desires, and actions; (2) natural inter-agent communication; and (3) a multi-component memory system. Following the cultural learning framework, we test MINDFORGE in both instructive and collaborative settings within Minecraft. In an instructive setting with GPT-4, MINDFORGE agents powered by open-weight LLMs significantly outperform their Voyager counterparts in basic tasks yielding 3 more tech-tree milestones and collecting 2.3 more unique items than the Voyager baseline. Furthermore, in fully collaborative settings, we find that the performance of two underachieving agents improves with more communication rounds, echoing the Condorcet Jury Theorem. MINDFORGE agents demonstrate sophisticated behaviors, including expert-novice knowledge transfer, collaborative problem solving, and adaptation to out-of-distribution tasks through accumulated cultural experiences.
Understanding and Mitigating Numerical Sources of Nondeterminism in LLMInference
Large Language Models (LLMs) are now integral across various domains and have demonstrated impressive performance. Progress, however, rests on the premise that benchmark scores are both accurate and reproducible. We demonstrate that the reproducibility of LLM performance is fragile: changing system configuration, such as evaluation batch size, GPU count, and GPU version, can introduce significant differences in the generated responses. This issue is especially pronounced in reasoning models, where minor rounding differences in early tokens can cascade into divergent chains of thought, ultimately affecting accuracy. For instance, under bfloat16 precision with greedy decoding, a reasoning model like DeepSeek-R1-Distill-Qwen-7B can exhibit up to 9% variation in accuracy and 9,000 tokens difference in response length due to differences in GPU count, type, and evaluation batch size.
Optimal Graph Clustering without Edge Density Signals
This paper establishes the theoretical limits of graph clustering under the PopularityAdjusted Block Model (PABM), addressing limitations of existing models. In contrast to the Stochastic Block Model (SBM), which assumes uniform vertex degrees, and to the Degree-Corrected Block Model (DCBM), which applies uniform degree corrections across clusters, PABM introduces separate popularity parameters for intra-and inter-cluster connections. Our main contribution is the characterization of the optimal error rate for clustering under PABM, which provides novel insights on clustering hardness: we demonstrate that unlike SBM and DCBM, cluster recovery remains possible in PABM even when traditional edge-density signals vanish, provided intra-and inter-cluster popularity coefficients differ. This highlights a dimension of degree heterogeneity captured by PABM but overlooked by DCBM: local differences in connectivity patterns can enhance cluster separability independently of global edge densities. Finally, because PABM exhibits a richer structure, its expected adjacency matrix has rank between k and k2, where k is the number of clusters. As a result, spectral embeddings based on the top k eigenvectors may fail to capture important structural information. Our numerical experiments on both synthetic and real datasets confirm that spectral clustering algorithms incorporating k2 eigenvectors outperform traditional spectral approaches.
Certifying Deep Network Risks and Individual Predictions with PAC-Bayes Loss via Localized Priors
As machine learning increasingly relies on large, opaque foundation models powering generative and agentic AI, deploying these systems in safety-critical contexts demands rigorous generalization guarantees beyond training data. PAC-Bayes theory provides principled certificates linking training performance to generalization risk, yet existing approaches remain impractical: simple theoretical priors yield vacuous bounds, while data-dependent priors require costly second-stage training or introduce bias. To bridge this critical gap, we propose a localized PAC-Bayes prior--a structured, computationally efficient prior softly concentrated around parameters favored during standard training. By integrating this localized prior directly into the standard training objective, we deliver practically tight generalization certificates with minimal workflow disruption. Under standard neural tangent kernel assumptions, our bound shrinks as networks widen and datasets grow, becoming negligible in realistic regimes. Empirically, we demonstrate tight generalization certificates on tasks ranging from image classification (MNIST, CIFAR, ImageNet) and NLP fine-tuning (GLUE) to semantic segmentation (Cityscapes), typically within three percentage points of test error at ImageNet scale. Additionally, our approach provides rigorous guarantees for individual predictions, selective rejection of uncertain predictions, adversarial robustness, and accurate calibration--directly addressing key requirements for trustworthy AI deployment.
Taming Hyperparameter Sensitivity in Data Attribution: Practical Selection Without Costly Retraining
Data attribution methods, which quantify the influence of individual training data points on a machine learning model, have gained increasing popularity in datacentric applications in modern AI. Despite a recent surge of new methods developed in this space, the impact of hyperparameter tuning in these methods remains underexplored. In this work, we present the first large-scale empirical study to understand the hyperparameter sensitivity of common data attribution methods. Our results show that most methods are indeed sensitive to certain key hyperparameters. However, unlike typical machine learning algorithms--whose hyperparameters can be tuned using computationally-cheap validation metrics--evaluating data attribution performance often requires retraining models on subsets of training data, making such metrics prohibitively costly for hyperparameter tuning.
Joint Design of Protein Surface and Structure Using a Diffusion Bridge Model
Protein-protein interactions (PPIs) are governed by surface complementarity and hydrophobic interactions at protein interfaces. However, designing diverse and physically realistic protein structure and surfaces that precisely complement target receptors remains a significant challenge in computational protein design. In this work, we introduce PepBridge, a novel framework for the joint design of protein surface and structure that seamlessly integrates receptor surface geometry and biochemical properties. Starting with a receptor surface represented as a 3D point cloud, PepBridge generates complete protein structures through a multi-step process. First, it employs denoising diffusion bridge models (DDBMs) to map receptor surfaces to ligand surfaces. Next, a multi-model diffusion model predicts the corresponding structure, while Shape-Frame Matching Networks ensure alignment between surface geometry and backbone architecture. This integrated approach facilitates surface complementarity, conformational stability, and chemical feasibility. Extensive validation across diverse protein design scenarios demonstrates PepBridge's efficacy in generating structurally viable proteins, representing a significant advancement in the joint design of top-down protein structure.
CSI-Bench: ALarge-Scale In-the-Wild Dataset for Multi-task WiFi Sensing
WiFi sensing has emerged as a compelling contactless modality for human activity monitoring by capturing fine-grained variations in Channel State Information (CSI). Its ability to operate continuously and non-intrusively while preserving user privacy makes it particularly suitable for health monitoring. However, existing WiFi sensing systems struggle to generalize in real-world settings, largely due to datasets collected in controlled environments with homogeneous hardware and fragmented, session-based recordings that fail to reflect continuous daily activity. We present CSI-Bench, a large-scale, in-the-wild benchmark dataset collected using commercial WiFi edge devices across 26 diverse indoor environments with 35 real users.
Thinking vs. Doing: Improving Agent Reasoning by Scaling Test-Time Interaction
The current paradigm of test-time scaling relies on generating long reasoning traces ("thinking" more) before producing a response. In agent problems that require interaction, this can be done by generating thinking traces before acting in the world. However, this process does not allow agents to acquire new information from the environment or adapt their behavior over time. In this work, we propose to scale test-time interaction, an untapped dimension of test-time scaling that increases the agent's interaction horizon to enable running rich behaviors such as exploration, backtracking, and dynamic re-planning within a single rollout. To demonstrate the promise of this scaling dimension, we study the domain of web agents.