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Dongqi Fu

Publications and source records attributed to Dongqi Fu.

At least 19 recordsLinked to original sources

DIGEST: Discovery-Guided LLM Tuning for Symbolic Regression

Symbolic regression (SR) seeks to discover mathematical expressions directly from data, without requiring task-specific scientific descriptions. Despite tremendous progress in both conventional search-based methods and recent LLM-based methods, two critical limitations largely remain. First (Limited Generation Flexibility), conventional search-based methods rely on either fixed search rules or specialized learned generators, severely limiting adaptive candidate generation across diverse expression structures. Second (Underutilized Search Discoveries), most LLM-based methods cannot reliably recover ground-truth expressions because they fall short in effectively leveraging the LLM itself to thoroughly digest past expressions or adaptively guide future search. To address these limitations, we propose DIGEST. To render greater flexibility in generation, DIGEST repurposes a pretrained decoder block from a lightweight LLM into a symbolic policy for Genetic Programming (GP) population seeding, thereby leveraging the broader modeling capacity of the LLM. To more thoroughly utilize search discoveries, high-quality expressions discovered by GP are fed back to update the LLM-derived policy online, thereby enabling the LLM to progressively internalize past search discoveries and translate them into improved subsequent population generation. Experiments show that on two ground-truth benchmarks, DIGEST outperforms the strongest competitor by up to 2.59% in recovery. Among LLM-based baselines, it improves recovery by at least 54.91% while using at most 17.4% of the strongest competitor's mean search time. On 122 BlackBox datasets, DIGEST achieves the highest accuracy while maintaining a moderate model complexity.

cs.LG↗

Diagnostic Analysis for Large Language Model Reasoning

Reasoning structures (e.g., chains and graphs) are increasingly used for probabilistic inference, factuality verification, and uncertainty estimation, but their structural reliability is rarely evaluated directly. We test whether this reliability holds through a proposed two-stage diagnostic evaluation in open-ended multi-hop QA. Stage 1 tests different capabilities required to construct reasoning graphs, showing that graph reliability varies with topology, prompt design, and model family. Stage 2 uses uncertainty estimation as a downstream test case. Generated-edge experiments show that graph-based computation is sensitive to upstream graph errors, with performance dropping relative to the gold-graph setting. Gold-graph experiments further show that graph structure provides little benefit when used only as prompt context, but improves the separation of correct from incorrect answers by confidence score and enables node-level diagnostics.

cs.CL↗

Overcoming Prior Barriers: Supervised Fine-Tuning under Long-Tail Distribution

Supervised fine-tuning (SFT) adapts pretrained large language models (LLMs) to downstream tasks, but the required concepts can receive substantially different levels of pretrained support. Frequent concepts are more likely to be well learned, whereas rare concepts may remain weakly represented. We introduce a novel notion named prior barrier to quantify how strongly the pretrained model supports competing concepts over the target concept. We observe that prior barriers follow a long-tail distribution, placing head and tail concepts at different starting points for SFT: head concepts face lower prior barriers, whereas tail concepts require additional instructions to overcome their higher prior barriers. Our theoretical analysis further derives a predictive risk bound for SFT under long-tail prior barriers, explicitly characterizing how the prior barrier and accumulated SFT evidence jointly determine predictive performance. Motivated by this prior barrier-dependent demand, we propose PASS, an adaptive SFT instruction selection method that constructs reference-derived concepts and estimates the distinguishing evidence provided by each instruction, and adaptively allocates the selection budget toward concepts that remain insufficiently covered under the current selection. In this way, PASS jointly considers which instructions can provide useful evidence and where additional supervision is needed under a limited budget. Experiments show that our method consistently outperforms seven state-of-the-art instruction selection methods on four backbone-budget settings. An ablation study further shows that PASS's adaptive allocation consistently improves over uniform allocation.

cs.AI↗

EvoHarness-RL: Learning Runtime Harness Coordination for Self-Evolving Agents

Long-horizon LLM agents increasingly rely on external execution support to maintain state, track progress, recover from failures, and reuse experience across extended interactions. Yet existing harnesses and their use are often tailored to environments and controlled through prompts, heuristics, or system-specific rules, making agent and harness coordination difficult to jointly optimize. We introduce EvoHarness-RL, a unified framework that separates environment-specific harness implementations from a shared policy-facing interface. EvoHarness-RL organizes external support into a Belief, Progress, and Experience (BPE) workspace and exposes four compact harness actions for accessing and updating this state. We first instantiate BPE as an inference-time scaffold and then make harness coordination learnable through supervised initialization followed by cost-aware GRPO. Across heterogeneous long-horizon tasks, EvoHarness-Base improves the average success rate of frontier models by 10.0 percentage points, while EvoHarness-RL outperforms the strongest open-source baseline by 8.5 percentage points, together with higher RL rollout efficiency and stronger generalization to unseen tasks. Our analyses show that training gradually shifts agents from frequent scaffold use toward selective, environment-dependent harness access as the policy becomes more capable, while the external workspace continues to evolve and refine itself to better support task execution and generalization. Together, these results show that long-horizon agents benefit not only from external scaffolding itself, but also from learning how and when to coordinate with external support as part of a cost-aware policy.

cs.LG↗

Hierarchical Credit Assignment for RLVR on Fused Gromov-Wasserstein Geometry

Reinforcement learning with verifiable rewards (RLVR) has been shown to improve the reasoning capability of large language models (LLMs) across diverse reasoning tasks. However, group-based RLVR methods, such as GRPO, assign a uniform advantage to all tokens within rollouts of the same outcome. While existing works refine credit assignment of GRPO based on local signals such as token locations or entropy, they often fail to capture the global semantic novelty of a reasoning behavior relative to the current policy. In this work, we propose a hierarchical credit assignment approach for group-based RLVR methods, called HarA, which identifies and encourages semantically novel reasoning behaviors during RLVR. HarA represents each sampled rollout as a distribution over the hidden states and locations of tokens, and computes the Fused Gromov-Wasserstein (FGW) barycenters of all rollouts with the same outcome, capturing the internal reasoning patterns in the latent space under the current policy. The semantic novelty of a reasoning element can then be measured by its contribution to the FGW distance between the current rollout and the barycenter. While solving the FGW formulation is expensive, we introduce an anchor-guided linearization that turns it into a Wasserstein formulation solvable via the Sinkhorn algorithm efficiently. By reweighing token-level advantage of group-based RLVR methods based on the novelty signals, HarA highlights novel reasoning behaviors at flexible granularities to encourage fine-grained LLM exploration. Extensive experiments across three group-based RLVR methods show that our plug-and-play method effectively enhances the exploration of LLMs, outperforming existing methods across diverse reasoning benchmarks.

cs.LG↗

KVEraser: Learning to Steer KV Cache for Efficient Localized Context Erasing

Post-hoc context erasing over the KV cache is challenging because a local edit has a global consequence: once a span has been processed, its influence propagates into the cached states of all subsequent tokens. This issue arises naturally in long-context LLM applications, where stale, incorrect, or harmful context may be identified only after prefill. Exact erasing must then recompute all tokens after the deleted span, making its computational cost depend on suffix length rather than erased-span length. We introduce KVEraser, a learned KV-cache editing method for efficient localized context erasing. KVEraser replaces the KV states of the erased interval with learned steering states while reusing the remaining cache unchanged. To learn a transferable erasing mechanism, we use a two-stage pipeline: generic span-neighbor pre-training followed by task-specific fine-tuning. Experiments show that KVEraser nearly matches full recomputation in post-erasure performance on in-domain tasks across 1K-32K contexts, while its latency increases by only 29.6% compared with a 17.6x increase for full recomputation. KVEraser also generalizes to unseen long-document QA with harmful factual distractors and tool-selection with malicious skill-file injections, achieving the best performance among approximate baselines with a 2.9-10.7x speedup over full recomputation. Notably, full-parameter eraser training is unnecessary: a rank-16 LoRA eraser, which trains only approximately 0.6% as many parameters as the generator, performs comparably to or better than its full-parameter counterpart.

cs.CL↗

ReGDiff: Guided Diffusion in Regulated Latent Space for Exploring Metamaterial Voxel Geometry

Metamaterials are artificially engineered structures whose mechanical and physical behaviors are strongly shaped by geometry rather than composition. Voxel representation provides a unified format for metamaterial geometry generation, as it can express diverse classes such as truss, shell, and porous structures within a single cubic discretization. However, voxel-based generation faces a plausibility-novelty trade-off: staying close to known geometries helps preserve geometric regularities, while moving away from them is necessary for novelty but may produce degenerate geometries. To address this challenge, we propose REGDIFF, a generative framework that couples voxel representation with latent space regulation and guided diffusion. REGDIFF introduces a repel-and-sink (RAS) mechanism to smooth the latent distribution of plausible geometries, and short-range repulsion (SRR) guidance to discourage generation overly close to known samples while maintaining geometric plausibility. We further contribute a voxel-based benchmark covering truss- and shell-type metamaterial geometries, together with an evaluation module for geometric plausibility, novelty, and diversity. Experiments show that REGDIFF outperforms voxel-based generative baselines, achieving +8.9% in geometric plausibility, +46.4% in novelty, and +128.6% in diversity on average across two datasets. These results suggest that REGDIFF is a strong geometry candidate generator for downstream evaluation. Our code is provided at https://github.com/wzhan24/ReGDiff.

cs.CV↗

A Survey of Agentic Reasoning for Large Language Models: Towards Recursively Self-Improving and Collective Agents

Reasoning is a fundamental cognitive process underlying inference, problem-solving, and decision-making. While large language models (LLMs) demonstrate strong reasoning capabilities in closed-world settings, they struggle in open-ended and dynamic environments. Agentic reasoning marks a paradigm shift by reframing LLMs as autonomous agents that plan, act, and learn through continual interaction. In this survey, we organize agentic reasoning along three complementary dimensions. First, we characterize environmental dynamics through three layers: foundational agentic reasoning, which establishes core single-agent capabilities including planning, tool use, and search in stable environments; self-evolving agentic reasoning, which studies how agents refine these capabilities through feedback, memory, and adaptation; and collective multi-agent reasoning, which extends intelligence to collaborative settings involving coordination, knowledge sharing, and shared goals. Across these layers, we distinguish in-context reasoning, which scales test-time interaction through structured orchestration, from post-training reasoning, which optimizes behaviors via reinforcement learning and supervised fine-tuning. We further review representative agentic reasoning frameworks across real-world applications and benchmarks, including science, robotics, healthcare, autonomous research, and mathematics. This survey synthesizes agentic reasoning methods into a unified roadmap bridging thought and action, and outlines open challenges and future directions, including personalization, long-horizon interaction, world modeling, scalable multi-agent training, and governance for real-world deployment.

cs.AI↗

Inference-Time Graph Engineering for Multi-Agent LLM Workflows

Recent multi-agent LLM systems increasingly rely on graph-structured communication to coordinate specialized agents. We revisit multi-agent orchestration from a graph-engineering perspective: rather than optimizing a static topology, we synthesize a task-conditioned temporal workflow graph that jointly specifies agent connectivity and edge-level communication semantics. We introduce ReActNet, a training-free framework that compiles a query and a set of role-specialized agents into a sequence of directed communication graphs. Each graph snapshot corresponds to one reasoning stage, and each edge carries a natural-language instruction specifying the message that a source agent should provide to a target agent. The compiled temporal graph is then executed through structured message passing: agents update their reasoning states by integrating their previous states with messages from controller-assigned neighbors, and a final aggregator synthesizes the resulting states into the answer. This design separates graph compilation from graph execution, making multi-agent coordination explicit, inspectable, and task-conditioned without requiring reinforcement learning or gradient-based topology optimization. Across knowledge reasoning, mathematical problem solving, code generation, and GAIA-style assistant tasks, ReActNet consistently improves over fixed-topology and learned-topology baselines while maintaining competitive inference cost. These results suggest that effective multi-agent orchestration depends not only on which agents communicate, but also on engineering executable workflow graphs that encode when, why, and how information should flow during reasoning.

cs.AI↗

Predict, Don't Iterate: Efficient Adaptive-Length Infilling for Diffusion Language Models

Diffusion language models (DLMs) have emerged as a promising alternative to the auto-regressive paradigm. With bidirectional attention and any-order generation, DLMs naturally fit infilling tasks, which require generating a middle span conditioned on both the prefix and the suffix. However, infilling is sensitive to the length of the span, while DLMs require the length to be fixed before generation. Although prior studies extend DLMs to dynamic lengths, they still suffer from two limitations. (i) Sensitivity to initial length. These methods require a preset length to initialize the search and are highly sensitive to this initial length, often yielding suboptimal results. (ii) Inference inefficiency. They either insert length-changing operations during generation or repeatedly search for an appropriate length using multi-step denoising confidence, both of which introduce substantial extra forward passes and computational cost. Therefore, we propose PILL (Probing-based InfiLling with preset-Length-free decoding), an efficient infilling method for DLMs that requires no preset initial length and adds far fewer extra forward passes than baselines, substantially reducing inference time. Experiments show that, across five DLMs spanning different families, architectures, and training recipes on eight infilling benchmarks, PILL improves over the strongest baseline by +4.8 average pass rate on code and +6.0 BLEU-2 on text, while running 1.82x faster than that baseline. The code is available at https://github.com/Hsu1023/PILL.

cs.CL↗

Structuring and Tokenizing Distributed User Interest Context for Generative Recommendation

Generative recommendation is an emerging paradigm that has shown promise in industrial recommendation systems, aiming to predict users' next interactions from their historical behaviors. At the core of generative recommendation lies item tokenization, which bridges item semantics and recommendation models. However, existing methods often struggle to effectively organize and inject complex user-behavioral and item-semantic contexts into recommendation models simultaneously. On the one hand, existing graph-based integration methods, such as graph serialization and graph neural networks, either suffer from scalability issues or exploit only local graph information. On the other hand, existing semantic tokenization methods typically rely on heuristics and lack explicit supervision signals, which may lead to inaccurate or suboptimal semantic representations. To address these limitations in user interest context modeling, we propose G2Rec, a scalable framework that unifies holistic graph-based user co-engagement modeling with semantic tokenization for industrial-scale generative recommendation. Overall, G2Rec enables recommendation models to capture holistic and semantically grounded user interest prototypes without requiring ground-truth user interests, thereby providing more comprehensive and accurate modeling of user behavior contexts in industrial sequential recommendation. Online deployment across product surfaces and extensive experiments on public datasets demonstrate the superiority of G2Rec over existing methods.

cs.IR↗

ChronoID: Infusing Explicit Temporal Signals into Semantic IDs for Generative Recommendation

Semantic IDs are crucial in generative recommendation, but with a fundamental limitation: temporal information is not well incorporated into semantic IDs. Instead, time influences recommendation only implicitly (e.g., through session construction heuristics, preference alignment, or sequence order), while existing semantic ID learning remains entirely time-agnostic. This design conflates interactions occurring under distinct temporal contexts into identical semantic representations, implicitly assuming that item semantics and user intent are temporally stationary. Such an assumption is misaligned with real-world recommendation scenarios, where evolving interaction rhythms play a central role. In this work, we investigate where and how the explicit time should be incorporated into semantic ID for generative recommendation. First, we systematically characterize the design space along three orthogonal dimensions of temporal signals and present a unified framework, ChronoID, for time-aware semantic ID learning. Then, by contributing a new time-explicit generation recommendation benchmark, ChronoID answers the questions: what is the effective way of infusing time, how to design the architecture, and where does the gain come from.

cs.IR↗

Towards Direct Latent-Space Synthesis for Parallel Branches in LLM-Agent Workflows

Large language models increasingly serve as execution engines for agentic systems, yet they still consume context through a sequential text interface. This creates a mismatch with modern structured agent workflows, in which independent branches explore subtasks, retrieve evidence, or generate candidate solutions before a final synthesis step. Existing systems typically merge these branches by concatenating their textual outputs, which discards the parallel structure and incurs redundant prefill computation. In this work, we introduce Parallel-Synthesis, a plug-and-play framework that enables a synthesizer to directly consume the KV caches produced by parallel worker agents. Parallel-Synthesis combines a cache mapper that calibrates independently generated branch caches with a fine-tuned synthesizer adapter that enables generation from this non-sequential cache interface. We train Parallel-Synthesis using data that exposes the synthesizer to parallel cache contexts, teaches aggregation across cached branches, and distills reasoning behavior from standard text-concatenation-based synthesis. Across nine downstream datasets spanning math, science QA, code generation, GAIA, and multi-agent database diagnosis, Parallel-Synthesis matches or outperforms text-based synthesis on seven datasets and remains close on the other two. It also reduces time-to-first-token by 2.5x-11x, suggesting that direct cache-based synthesis is a promising interface for more native and efficient synthesis over parallel agent branches.

cs.AI↗

Protein Representation Learning with Secondary-Structure and Energy-Filtered Hydrogen-Bond Graphs

Graph-based representations are widely used in protein modeling, yet many existing approaches rely primarily on sequence adjacency or geometric proximity, which only partially reflect the principles governing protein folding. Proteins instead adopt complex three-dimensional conformations organized around secondary structure elements, such as $α$-helices and $β$-sheets, which encode recurring local motifs and stabilizing hydrogen-bond interactions. In this work, we introduce a secondary-structure-aware graph neural network for protein representation learning. Residue-level node representations are augmented with secondary structure assignments, and graph edges are constructed from hydrogen-bond interactions filtered by their energetic strength. This design enables the model to capture both local structural context and long-range couplings that are central to protein stability and function. We evaluate the proposed approach on commonly used protein benchmarks and observe consistent improvements over existing graph-based methods. In addition, the resulting graph representations offer enhanced biological interpretability, as the learned connectivity aligns with established structural motifs. These findings suggest that incorporating secondary structure and energy-filtered hydrogen-bond topology provides an effective inductive bias for protein representation learning. The code is released at https://github.com/mohamedmohamed2021/SSProNet

cs.LG↗

TSAQA: Time Series Analysis Question And Answering Benchmark

Time series data are integral to critical applications across domains such as finance, healthcare, transportation, and environmental science. While recent work has begun to explore multi-task time series question answering (QA), current benchmarks remain limited to forecasting and anomaly detection tasks. We introduce TSAQA, a novel unified benchmark designed to broaden task coverage and evaluate diverse temporal analysis capabilities. TSAQA integrates six diverse tasks under a single framework ranging from conventional analysis, including anomaly detection and classification, to advanced analysis, such as characterization, comparison, data transformation, and temporal relationship analysis. Spanning 210k samples across 13 domains, the dataset employs diverse formats, including true-or-false (TF), multiple-choice (MC), and a novel puzzling (PZ), to comprehensively assess time series analysis. Zero-shot evaluation demonstrates that these tasks are challenging for current Large Language Models (LLMs): the best-performing commercial LLM, Gemini-2.5-Flash, achieves an average score of only 65.08. Although instruction tuning boosts open-source performance: the best-performing open-source model, LLaMA-3.1-8B, shows significant room for improvement, highlighting the complexity of temporal analysis for LLMs.

cs.AI↗

Local Clustering on Complex Graphs and Complex Hypergraphs

Local/seeded clustering aims to find a compact cluster near the given starting instances. While most existing studies on graph clustering assume a discrete graph setting (i.e., unweighted, undirected graphs without self-loops), real-world graphs can be more complex. In this paper, we extend the classic non-approximating Andersen-Chung-Lang (ACL) clustering algorithm beyond discrete graphs and generalize its quadratic optimality to a wider range of complex graphs, including weighted, directed, and self-looped graphs and hypergraphs with edge-dependent vertex weights. Specifically, by leveraging PageRank, we propose two algorithms: GeneralACL for graphs and HyperACL for hypergraphs. We prove that, under two mild conditions, both algorithms can identify a quadratically optimal cluster in terms of conductance. Additionally, we provide experiments to validate our theoretical findings. Our code is available at https://github.com/iDEA-iSAIL-Lab-UIUC/HyperACL.

cs.SI↗

DAG-MoE: From Simple Mixture to Structural Aggregation in Mixture-of-Experts

Mixture-of-Experts (MoE) models have become a leading approach for decoupling parameter count from computational cost in large language models, yet effectively scaling MoE performance remains a challenge. Prior work shows that fine-grained experts enlarge the space of expert combinations and improve flexibility, but they also impose substantial routing overhead, creating a new scalability bottleneck. In this paper, we explore a complementary axis for scaling -- how expert outputs are aggregated. We theoretically show that replacing the standard weighted-summation aggregation with structural aggregation expands the expert-combination space without altering the experts or router, and enables possible multi-step reasoning within a single MoE layer. To this end, we propose DAG-MoE, a sparse MoE framework that employs a lightweight module to automatically learn the optimal aggregation structure among the selected experts. Extensive experiments under standard language modeling settings show that DAG-MoE consistently improves performance in both pretraining and fine-tuning, surpassing traditional MoE baselines.

cs.AI↗

Code as Agent Harness

Recent large language models (LLMs) have demonstrated strong capabilities in understanding and generating code, from competitive programming to repository-level software engineering. In emerging agentic systems, code is no longer only a target output. It increasingly serves as an operational substrate for agent reasoning, acting, environment modeling, and execution-based verification. We frame this shift through the lens of agent harnesses and introduce code as agent harness: a unified view that centers code as the basis for agent infrastructure. To systematically study this perspective, we organize the survey around three connected layers. First, we study the harness interface, where code connects agents to reasoning, action, and environment modeling. Second, we examine harness mechanisms: planning, memory, and tool use for long-horizon execution, together with feedback-driven control and optimization that make harness reliable and adaptive. Third, we discuss scaling the harness from single-agent systems to multi-agent settings, where shared code artifacts support multi-agent coordination, review, and verification. Across these layers, we summarize representative methods and practical applications of code as agent harness, spanning coding assistants, GUI/OS automation, embodied agents, scientific discovery, personalization and recommendation, DevOps, and enterprise workflows. We further outline open challenges for harness engineering, including evaluation beyond final task success, verification under incomplete feedback, regression-free harness improvement, consistent shared state across multiple agents, human oversight for safety-critical actions, and extensions to multimodal environments. By centering code as the harness of agentic AI, this survey provides a unified roadmap toward executable, verifiable, and stateful AI agent systems.

cs.CL↗