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Zhiting Hu

Publications and source records attributed to Zhiting Hu.

At least 19 recordsLinked to original sources
arXiv2026

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.

cs.CL↗
arXiv2026

Mind2Dialogue: Training Human-Aware Language Models by Simulating User Mental States

As language models become more capable, long-term collaboration in learning, reasoning, and decision-making calls for a deeper understanding of the people they serve. Yet training such human-aware language models faces a fundamental supervision gap because current datasets for LLM assistant training contain few if any well-informed responses explicitly grounded in users' unspoken beliefs and goals. Scaling such supervision is inherently constrained, as users' underlying states are not directly observable. We thus propose the Mind2Dialogue framework to mitigate this gap by simulating users' mental states and turning them into privileged supervision for human-aware training. Specifically, we first propose a psychology-guided simulator that preserves personal characteristics while updating mental states through interaction to generate coherent conversations. The key idea is to enforce a shared evolving mental state that drives user behavior and guides an Oracle assistant's responses. Our privileged distillation then trains models on the Oracle's well-informed responses to assist users without direct access to their mental states at deployment. Moreover, we propose to evaluate human-aware learning by combining personalization and theory of mind, examining how models understand people and act on that understanding. Training on the full Mind2Dialogue corpus improves every reported personalization metric over the corresponding Qwen, Llama, and OLMo instruction-tuned baselines, including gains of 26.6 to 40.9 percentage points in preference-following generation. The gains extend to belief and action reasoning on Qwen and Llama, beyond personalized assistance. Looking forward, Mind2Dialogue makes user simulation a foundation for genuine AI collaborators that understand beliefs and intentions behind people's words and support their long-term goals across education, work, and everyday life.

cs.CL↗
arXiv2026

PAN: A World Model for General, Actionable, and Long-Horizon World Simulation

A world model is a cognitive simulator of the real-world environment allowing biological agents to reason about how the world evolves, whether spontaneously or in response to their actions, and accordingly to plan and strategize. In building Artificial Intelligence (AI) systems, world models represent the next frontier beyond large language models (LLMs) to enable physical and embodied intelligence in AI agents, allowing them to perform decision-making through simulative reasoning and reinforcement-learning through simulative trials. Recent advancements in world modeling have yielded impressive progress in video generation, 3-D scene evolution, robotic dynamics, and game simulation, but limitations persist in general, open-domain, action-driven prediction, long-horizon consistency, and abstract reasoning and planning. Moreover, fundamental architectural questions, whether it be state representation, information flow, or training objectives, remain unresolved. In this paper, we introduce PAN, a world model built on the Generative Latent Prediction (GLP) architecture. GLP combines stateful latent representations of world states; an encoder--decoder closed-loop information flow; an LLM/diffusion-based mixed reasoning backbone; and a non-degenerate generative reconstruction objective whose fidelity is ``dampable'' to balance fine-grained detail against semantic saliency. Compared to several existing systems, PAN demonstrates advantages beyond standard video generation in action-conditioned world simulation, long-horizon forecasting, and simulative reasoning and planning, capabilities we argue should serve as the primary criteria for evaluating world models.

cs.CV↗
arXiv2026

Training Large Language Models to Reason in a Continuous Latent Space

Large language models (LLMs) are typically constrained to reason in the language space, where they express the reasoning process through a chain-of-thought (CoT) to solve complex problems. However, the language space may not always be optimal for reasoning. Most word tokens primarily ensure textual coherence and are not essential for reasoning, while some critical tokens require complex planning and pose challenges to LLMs. To explore the potential of reasoning beyond language, we introduce a new paradigm called Coconut (Chain of Continuous Thought). Coconut utilizes the last hidden state of the LLM as a representation of the reasoning state, termed "continuous thought." Instead of decoding this state into words, we feed it back to the model as the next input embedding directly in the continuous space. This latent reasoning paradigm enables an advanced reasoning pattern, where continuous thoughts can encode multiple alternative next steps, allowing the model to perform a breadth-first search (BFS) rather than committing prematurely to a single deterministic path as in CoT. Coconut outperforms CoT on logical reasoning tasks that require substantial search during planning and achieves a better trade-off between accuracy and efficiency.

cs.CL↗
arXiv2026

FIRE-Bench: Evaluating AI Agents on the Rediscovery of Scientific Insights

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a trade-off: they either heavily rely on LLM-as-judge evaluations of automatically generated research outputs or optimize convenient yet isolated performance metrics that provide coarse proxies for scientific insight. To address this gap, we introduce FIRE-Bench (Full-cycle Insight Rediscovery Evaluation), a benchmark that evaluates agents through the rediscovery of established findings from recent, high-impact machine learning research. Agents are given only a high-level research question extracted from a published, verified study and must autonomously explore ideas, design experiments, implement code, execute their plans, and derive conclusions supported by empirical evidence. We evaluate a range of state-of-the-art agents with frontier LLMs backbones like gpt-5 on FIRE-Bench. Our results show that full-cycle scientific research remains challenging for current agent systems: even the strongest agents achieve limited rediscovery success (<50 F1), exhibit high variance across runs, and display recurring failure modes in experimental design, execution, and evidence-based reasoning. FIRE-Bench provides a rigorous and diagnostic framework for measuring progress toward reliable agent-driven scientific discovery.

cs.AI↗
arXiv2026

General Agentic Planning Through Simulative Reasoning with World Models

What does it mean to plan? Current agentic systems, whether scaffolded workflows or end-to-end policies, rely on reactive decision-making: selecting the next action via a fixed procedure with at most undifferentiated adaptive computation (e.g., chain-of-thought) lacking explicit modeling of future outcomes. This limits generalizability, as each new task demands re-engineering rather than transfer of shared reasoning capacity. Humans, by contrast, plan by mentally simulating consequences of candidate actions within an internal world model, a capacity known as simulative reasoning (System II) that supports flexible, goal-directed behavior across diverse contexts. We argue that simulative reasoning through a world model provides a general-purpose planning mechanism for agentic systems, improving upon reactive policies (System I) by grounding decisions in predicted future states rather than pattern-matched responses. To verify this, we introduce SiRA (Simulative Reasoning Architecture), a goal-oriented architecture instantiating simulative reasoning using an LLM-based world model with natural-language belief states, while remaining model-agnostic. We evaluate across three qualitatively distinct task categories: constrained navigation, multi-hop information aggregation, and general instruction following, in a web-browser environment. Across all categories, simulative reasoning achieves up to 124% higher task completion rates than a matched reactive baseline, and increases constrained navigation success from 0% to 32.2% compared to a representative open-web agent. The persistent advantage across distinct task types suggests the benefit stems from generalizable counterfactual evaluation rather than task-specific tuning.

cs.AI↗
arXiv2026

CocoaBench: Evaluating Unified Digital Agents in the Wild

LLM agents now perform strongly in software engineering, deep research, GUI automation, and various other applications, while recent agent scaffolds and models are increasingly integrating these capabilities into unified systems. Yet, most evaluations still test these capabilities in isolation, which leaves a gap for more diverse use cases that require agents to combine different capabilities. We introduce CocoaBench, a benchmark for unified digital agents built from human-designed, long-horizon tasks that require flexible composition of vision, search, and coding. Tasks are specified only by an instruction and an automatic evaluation function over the final output, enabling reliable and scalable evaluation across diverse agent infrastructures. We also present CocoaAgent, a lightweight shared scaffold for controlled comparison across model backbones. Experiments show that current agents remain far from reliable on CocoaBench, with the best evaluated system achieving only 45.1% success rate. Our analysis further points to substantial room for improvement in reasoning and planning, tool use and execution, and visual grounding.

cs.CL↗
arXiv2026

World Reasoning Arena

World models (WMs) are intended to serve as internal simulators of the real world that enable agents to understand, anticipate, and act upon complex environments. Existing WM benchmarks remain narrowly focused on next-state prediction and visual fidelity, overlooking the richer simulation capabilities required for intelligent behavior. To address this gap, we introduce WR-Arena, a comprehensive benchmark for evaluating WMs along three fundamental dimensions of next world simulation: (i) Action Simulation Fidelity, the ability to interpret and follow semantically meaningful, multi-step instructions and generate diverse counterfactual rollouts; (ii) Long-horizon Forecast, the ability to sustain accurate, coherent, and physically plausible simulations across extended interactions; and (iii) Simulative Reasoning and Planning, the ability to support goal-directed reasoning by simulating, comparing, and selecting among alternative futures in both structured and open-ended environments. We build a task taxonomy and curate diverse datasets designed to probe these capabilities, moving beyond single-turn and perceptual evaluations. Through extensive experiments with state-of-the-art WMs, our results expose a substantial gap between current models and human-level hypothetical reasoning, and establish WR-Arena as both a diagnostic tool and a guideline for advancing next-generation world models capable of robust understanding, forecasting, and purposeful action. The code is available at https://github.com/MBZUAI-IFM/WR-Arena.

cs.CV↗
arXiv2026

IsoCompute Playbook: Optimally Scaling Sampling Compute for LLM RL

While scaling laws guide compute allocation for LLM pre-training, analogous prescriptions for reinforcement learning (RL) post-training of large language models (LLMs) remain poorly understood. We study the compute-optimal allocation of sampling compute for on-policy RL methods in LLMs, framing scaling as a compute-constrained optimization over three resources: parallel rollouts per problem, number of problems per batch, and number of update steps. We find that the compute-optimal number of parallel rollouts per problem increases predictably with compute budget and then saturates. This trend holds across both easy and hard problems, though driven by different mechanisms: solution sharpening on easy problems and coverage expansion on hard problems. We further show that increasing the number of parallel rollouts mitigates interference across problems, while the number of problems per batch primarily affects training stability and can be chosen within a broad range. Validated across base models and data distributions, our results recast RL scaling laws as prescriptive allocation rules and provide practical guidance for compute-efficient LLM RL post-training.

cs.LG↗
arXiv2026

TritonDFT: Automating DFT with a Multi-Agent Framework

Density Functional Theory (DFT) is a cornerstone of materials science, yet executing DFT in practice requires coordinating a complex, multi-step workflow. Existing tools and LLM-based solutions automate parts of the steps, but lack support for full workflow automation, diverse task adaptation, and accuracy-cost trade-off optimization in DFT configuration. To this end, we present TritonDFT, a multi-agent framework that enables efficient and accurate DFT execution through an expert-curated, extensible workflow design, Pareto-aware parameter inference, and multi-source knowledge augmentation. We further introduce DFTBench, a benchmark for evaluating the agent's multi-dimensional capabilities, spanning science expertise, trade0off optimization, HPC knowledge, and cost efficiency. TritonDFT provides an open user interface for real-world usage. Our website is at https://www.tritondft.com. Our source code and benchmark suite are available at https://github.com/Leo9660/TritonDFT.git.

cond-mat.mtrl-sci↗
arXiv2026

Emergence of Superposition: Unveiling the Training Dynamics of Chain of Continuous Thought

Previous work shows that the chain of continuous thought (continuous CoT) improves the reasoning capability of large language models (LLMs) by enabling implicit parallel thinking, and a subsequent work provided theoretical insight by showing that a two-layer transformer equipped with continuous CoT can efficiently solve directed graph reachability by maintaining a superposition of multiple reasoning traces in the continuous thought. However, it remains unclear how the superposition mechanism is naturally learned from gradient-based training methods. To fill this gap, we theoretically analyze the training dynamics of a simplified two-layer transformer on the directed graph reachability problem to unveil how the superposition mechanism emerges during training in two training stages -- (i) a thought-generation stage that autoregressively expands the continuous thought, and (ii) a prediction stage that converts the thought into the final answer. Our analysis reveals that during training using continuous thought, the index-matching logit, an important quantity which reflects the strength of the model's local search ability, will first increase and then remain bounded under mild assumptions. The bounded index-matching logit effectively balances exploration and exploitation during the reasoning process: the model will exploit local problem structures to identify plausible search traces, and assign comparable weights to multiple such traces to explore when it is uncertain about which solution is correct, which results in superposition. Our experimental results tracking the growth of logits further validate our theory.

cs.LG↗
arXiv2026

Power Consumption Patterns Using Telemetry Data

This paper examines the analysis of package power consumption using Intel's telemetry data. It challenges the prevailing belief that hardware choice is the primary determinant of a device's power consumption and instead emphasizes the significant role of user behavior. The paper includes two sections: Exploratory Data Analysis (EDA) and a linear model for power consumption. The EDA section provides valuable insights from Intel's telemetry data, comparing power consumption across countries, with a specific focus on power consumption patterns in the US and China. Our simple linear model affirms those patterns and highlight the possible importance of user behavior and its influence on power consumption. Ultimately, the paper underscores the need to understand power consumption patterns and identifies areas where stakeholders like Intel can make improvements to reduce environmental impact effectively and efficiently.

cs.CY↗
arXiv2026

scPilot: Large Language Model Reasoning Toward Automated Single-Cell Analysis and Discovery

We present scPilot, the first systematic framework to practice omics-native reasoning: a large language model (LLM) converses in natural language while directly inspecting single-cell RNA-seq data and on-demand bioinformatics tools. scPilot converts core single-cell analyses, i.e., cell-type annotation, developmental-trajectory reconstruction, and transcription-factor targeting, into step-by-step reasoning problems that the model must solve, justify, and, when needed, revise with new evidence. To measure progress, we release scBench, a suite of 9 expertly curated datasets and graders that faithfully evaluate the omics-native reasoning capability of scPilot w.r.t various LLMs. Experiments with o1 show that iterative omics-native reasoning lifts average accuracy by 11% for cell-type annotation and Gemini-2.5-Pro cuts trajectory graph-edit distance by 30% versus one-shot prompting, while generating transparent reasoning traces explain marker gene ambiguity and regulatory logic. By grounding LLMs in raw omics data, scPilot enables auditable, interpretable, and diagnostically informative single-cell analyses. Code, data, and package are available at https://github.com/maitrix-org/scPilot

cs.AI↗
arXiv2026

CellMaster: Collaborative Cell Type Annotation in Single-Cell Analysis

Single-cell RNA-seq (scRNA-seq) enables atlas-scale profiling of complex tissues, revealing rare lineages and transient states. Yet, assigning biologically valid cell identities remains a bottleneck because markers are tissue- and state-dependent, and novel states lack references. We present CellMaster, an AI agent that mimics expert practice for zero-shot cell-type annotation. Unlike existing automated tools, CellMaster leverages LLM-encoded knowledge (e.g., GPT-4o) to perform on-the-fly annotation with interpretable rationales, without pre-training or fixed marker databases. Across 9 datasets spanning 8 tissues, CellMaster improved accuracy by 7.1% over best-performing baselines (including CellTypist and scTab) in automatic mode. With human-in-the-loop refinement, this advantage increased to 18.6%, with a 22.1% gain on subtype populations. The system demonstrates particular strength in rare and novel cell states where baselines often fail. Source code and the web application are available at \href{https://github.com/AnonymousGym/CellMaster}{https://github.com/AnonymousGym/CellMaster}.

q-bio.GN↗
arXiv2026

Learning Modal-Mixed Chain-of-Thought Reasoning with Latent Embeddings

We study how to extend chain-of-thought (CoT) beyond language to better handle multimodal reasoning. While CoT helps LLMs and VLMs articulate intermediate steps, its text-only form often fails on vision-intensive problems where key intermediate states are inherently visual. We introduce modal-mixed CoT, which interleaves textual tokens with compact visual sketches represented as latent embeddings. To bridge the modality gap without eroding the original knowledge and capability of the VLM, we use the VLM itself as an encoder and train the language backbone to reconstruct its own intermediate vision embeddings, to guarantee the semantic alignment of the visual latent space. We further attach a diffusion-based latent decoder, invoked by a special control token and conditioned on hidden states from the VLM. In this way, the diffusion head carries fine-grained perceptual details while the VLM specifies high-level intent, which cleanly disentangles roles and reduces the optimization pressure of the VLM. Training proceeds in two stages: supervised fine-tuning on traces that interleave text and latents with a joint next-token and latent-reconstruction objective, followed by reinforcement learning that teaches when to switch modalities and how to compose long reasoning chains. Extensive experiments across 11 diverse multimodal reasoning tasks, demonstrate that our method yields better performance than language-only and other CoT methods. Our code will be publicly released.

cs.AI↗
arXiv2026

SimWorld-Robotics: Synthesizing Photorealistic and Dynamic Urban Environments for Multimodal Robot Navigation and Collaboration

Recent advances in foundation models have shown promising results in developing generalist robotics that can perform diverse tasks in open-ended scenarios given multimodal inputs. However, current work has been mainly focused on indoor, household scenarios. In this work, we present SimWorld-Robotics~(SWR), a simulation platform for embodied AI in large-scale, photorealistic urban environments. Built on Unreal Engine 5, SWR procedurally generates unlimited photorealistic urban scenes populated with dynamic elements such as pedestrians and traffic systems, surpassing prior urban simulations in realism, complexity, and scalability. It also supports multi-robot control and communication. With these key features, we build two challenging robot benchmarks: (1) a multimodal instruction-following task, where a robot must follow vision-language navigation instructions to reach a destination in the presence of pedestrians and traffic; and (2) a multi-agent search task, where two robots must communicate to cooperatively locate and meet each other. Unlike existing benchmarks, these two new benchmarks comprehensively evaluate a wide range of critical robot capacities in realistic scenarios, including (1) multimodal instructions grounding, (2) 3D spatial reasoning in large environments, (3) safe, long-range navigation with people and traffic, (4) multi-robot collaboration, and (5) grounded communication. Our experimental results demonstrate that state-of-the-art models, including vision-language models (VLMs), struggle with our tasks, lacking robust perception, reasoning, and planning abilities necessary for urban environments.

cs.AI↗
arXiv2026

SimWorld: An Open-ended Realistic Simulator for Autonomous Agents in Physical and Social Worlds

While LLM/VLM-powered AI agents have advanced rapidly in math, coding, and computer use, their applications in complex physical and social environments remain challenging. Building agents that can survive and thrive in the real world (for example, by autonomously earning income or running a business) requires massive-scale interaction, reasoning, training, and evaluation across diverse embodied scenarios. However, existing world simulators for such development fall short: they often rely on limited hand-crafted environments, simulate simplified game-like physics and social rules, and lack native support for LLM/VLM agents. We introduce SimWorld, a new simulator built on Unreal Engine 5, designed for developing and evaluating LLM/VLM agents in rich, real-world-like settings. SimWorld offers three core capabilities: (1) realistic, open-ended world simulation, including accurate physical and social dynamics and language-driven procedural environment generation; (2) a rich interface for LLM/VLM agents, with multimodal world inputs and open-vocabulary actions at varying levels of abstraction; and (3) diverse and extensible physical and social reasoning scenarios that are easily customizable by users. We demonstrate SimWorld by deploying frontier LLM agents (e.g., GPT-4o, Gemini-2.5-Flash, Claude-3.5, and DeepSeek-Prover-V2) on long-horizon multi-agent delivery tasks involving strategic cooperation and competition. The results reveal distinct reasoning patterns and limitations across models. We open-source SimWorld and hope it becomes a foundational platform for advancing real-world agent intelligence across disciplines: https://simworld.org.

cs.AI↗
arXiv2025

Reasoning by Superposition: A Theoretical Perspective on Chain of Continuous Thought

Large Language Models (LLMs) have demonstrated remarkable performance in many applications, including challenging reasoning problems via chain-of-thoughts (CoTs) techniques that generate ``thinking tokens'' before answering the questions. While existing theoretical works demonstrate that CoTs with discrete tokens boost the capability of LLMs, recent work on continuous CoTs lacks a theoretical understanding of why it outperforms discrete counterparts in various reasoning tasks such as directed graph reachability, a fundamental graph reasoning problem that includes many practical domain applications as special cases. In this paper, we prove that a two-layer transformer with $D$ steps of continuous CoTs can solve the directed graph reachability problem, where $D$ is the diameter of the graph, while the best known result of constant-depth transformers with discrete CoTs requires $O(n^2)$ decoding steps where $n$ is the number of vertices ($D<n$). In our construction, each continuous thought vector is a superposition state that encodes multiple search frontiers simultaneously (i.e., parallel breadth-first search (BFS)), while discrete CoTs must choose a single path sampled from the superposition state, which leads to sequential search that requires many more steps and may be trapped into local solutions. We also performed extensive experiments to verify that our theoretical construction aligns well with the empirical solution obtained via training dynamics. Notably, encoding of multiple search frontiers as a superposition state automatically emerges in training continuous CoTs, without explicit supervision to guide the model to explore multiple paths simultaneously.

cs.LG↗