arXiv subjects

Zhitang Chen

Publications and source records attributed to Zhitang Chen.

At least 19 recordsLinked to original sources

arXiv2026

InsightSR: Refining Symbolic Regression Search Spaces via Parallel Semantic and Structural LLM Guidance

Symbolic regression (SR) seeks to discover parsimonious mathematical laws from observational data, yet conventional approaches often struggle with the vast combinatorial search space of physically meaningful expressions. We present InsightSR, a framework that embeds Large Language Models (LLMs) as a guiding layer around the PySR genetic programming engine. Rather than relying on LLMs to generate expressions directly, InsightSR uses LLMs to progressively transform the search space itself through two complementary pathways: a Semantic Seed Pathway that proposes dimensionally consistent functional skeletons, and a Structural Feature Pathway that recommends nonlinear feature transformations. These transformations accumulate over iterations, broadening the input space and shifting the symbolic search from constructing deep expression trees over raw variables to assembling shallow trees over a rich, semantically informed feature set. A post-generation feedback loop evaluates candidates, categorizes features by their empirical utility, and refines the guidance for the next iteration, transforming the discovery process from open-ended generation into iterative, self-correcting refinement. Across three benchmarks, InsightSR achieves a 95% exact recovery rate on the Feynman benchmark and 80.18% accuracy on the LLM-SRBench LSR-Transform task, substantially outperforming state-of-the-art genetic programming and neural-symbolic methods while maintaining strong out-of-distribution generalization on real-world datasets.

cs.LG↗

arXiv2026

SHIFT-LLM: Distribution Shift Correction in Depth-Pruned LLMs

Depth pruning removes entire Transformer blocks to reduce the inference cost of large language models, but disrupts the hidden-state distributions expected by downstream layers, leading to significant accuracy loss. We introduce SHIFT-LLM, a training-free post-pruning correction framework that inserts a Linear Residual Adapter (LRA) at each pruning site. Each LRA preserves the identity pathway of the original residual block and adds a lightweight affine residual correction. This correction is calibrated via closed-form least-squares regression on a small held-out set, without gradient computation, to approximate the missing residual update produced by the pruned block. Together with the preserved identity pathway, the resulting LRA output approximates the hidden state produced by the original block, thereby mitigating the distributional mismatch introduced by layer removal while avoiding the expensive attention and feed-forward computations of the removed blocks. The resulting LRAs support low-rank factorization and exact merging across consecutive pruned layers for additional compression, and combine naturally with parameter-efficient fine-tuning for further recovery beyond fine-tuning the pruned model alone. Experiments on five model families, six layer-selection criteria, and seven zero-shot benchmarks show that SHIFT-LLM consistently recovers accuracy lost to depth pruning across most configurations, achieving gains up to +15.7 points on Llama-3.1-8B-Instruct while requiring only a few hundred calibration samples and no gradient computation.

cs.CV↗

arXiv2026

ScienceFlow: A long-horizon agent for ML research, scientific discovery and beyond

Enabling LLM agents to sustain productive, stable, and goal-aligned research over extended horizons is a central challenge for autonomous machine learning and scientific discovery, as progress hinges on continuously managing evolving state, exploration decisions, and computational resources. Pioneering autoresearch agents, despite great success, still lack mechanisms for continuity, recovery from dead ends, and value-driven compute allocation, which inherently undermines overall search efficiency, wastes computational resources, and lowers the chance of ultimate success. To bridge this gap, we introduce ScienceFlow, an end-to-end autoresearch agent framework that organizes long-horizon research work into research segments grounded in executable workspaces. It represents research progress as recoverable executable states, enabling efficient exploration, revision, and execution. Transitions between research segments are governed by Executable-State Transition through Re-Anchoring (ESTRA), which selects either the live state or an archived state as the next anchor and determines whether to continue or redirect the research trajectory. An evidence-aware execution controller allocates resources to physical jobs based on resource availability, remaining budget, and validated progress. We evaluate ScienceFlow on tasks spanning machine learning, scientific modeling, and mathematical optimization. Results on diverse long-horizon benchmarks demonstrate its ability to sustain effective research processes, highlighted by a SOTA 70.22 percent Any-Medal score on the full MLE-bench within a 24-hour budget, outperforming prior reported results by 4.92 percentage points. The efficacy of ScienceFlow further demonstrates that efficient state management, adaptive exploration, and objective-aligned execution are critical for scaling autonomous research beyond short-horizon interactions.

cs.AI↗

arXiv2026

Vision Meets WiFi: Physics-Grounded Estimation of Volumetric Mechanical Properties

Estimating volumetric mechanical properties, including Young's modulus, Poisson's ratio, and density at each voxel, is intrinsically ambiguous from vision alone, as visually similar objects may have substantially different material compositions and physical behavior. Existing approaches predict these properties independently across voxels, overlooking the piecewise-constant material structure of real objects and producing noisy or inconsistent estimates for voxels that share the same material, while lacking an explicit mechanism to resolve visual ambiguity. We introduce ViWi (Vision Meets WiFi), an object-centric framework for volumetric mechanical-property estimation. ViWi represents each object using a compact set of material slots that aggregate evidence from voxels with a shared material identity and produce coherent slot-level property predictions. To complement visual appearance, ViWi incorporates a compact RF descriptor generated through WiFi-band electromagnetic simulation using permittivity and conductivity. The RF descriptor conditions the material slots with global composition cues that may be unavailable from images, while visual features preserve voxel-level spatial localization. Across volumetric mechanical-property and mass-estimation benchmarks, ViWi improves over the prior state of the art on four of six per-voxel metrics, while its vision-only variant improves all mass-estimation metrics. These results demonstrate that combining object-centric material structure with complementary RF evidence enables more accurate and physically coherent volumetric property estimation beyond what is possible from visual appearance alone.

cs.CV↗

arXiv2026

Hista and Numca: Estimate State Value Effectively for LLM Reinforcement Learning

Reinforcement learning (RL) refines large language models (LLMs) by directly optimizing model behavior through reward signals. While accurate state value estimation is critical for stable training in classical RL, it remains an underexplored challenge in LLM post-training. In this work, we introduce the State Value Estimation Benchmark (SVEB) to assess state estimation within existing RL frameworks and show that critics in standard approaches like PPO collapse to a coarse group-average baseline. To address this, we propose two techniques: Numca, which leverages numerical spans as gradable milestones for state value estimation, and Hista, a framework that uses LLM's hidden states as representation to weighted average disjoint rollouts and their return. Extensive experiments demonstrate that both methods yield more accurate state value estimates and enhance training performance across different RL algorithms and model sizes without incurring significant computational overhead.

cs.LG↗

arXiv2025

$A^2Flow:$ Automating Agentic Workflow Generation via Self-Adaptive Abstraction Operators

Large language models (LLMs) have shown strong potential in automating the design of agentic workflows. However, existing methods still rely heavily on manually predefined operators, limiting generalization and scalability. To address this issue, we propose $A^2Flow$, a fully automated framework for agentic workflow generation based on self-adaptive abstraction operators. $A^2Flow$ employs a three-stage operator extraction process: 1) Case-based Initial Operator Generation: leveraging expert demonstrations and LLM reasoning to generate case-specific operators; 2) Operator Clustering and Preliminary Abstraction: grouping similar operators across tasks to form preliminary abstractions; and 3) Deep Extraction for Abstract Execution Operators: applying long chain-of-thought prompting and multi-path reasoning to derive compact and generalizable execution operators. These operators serve as reusable building blocks for workflow construction without manual predefinition. Furthermore, we enhance node-level workflow search with an operator memory mechanism, which retains historical outputs to enrich context and improve decision-making. Experiments on general and embodied benchmarks show that $A^2Flow$ achieves a 2.4\% and 19.3\% average performance improvement and reduces resource usage by 37\% over state-of-the-art baselines. Homepage:https://github.com/pandawei-ele/A2FLOW

cs.AI↗

arXiv2025

Learning Design-Score Manifold to Guide Diffusion Models for Offline Optimization

Optimizing complex systems, from discovering therapeutic drugs to designing high-performance materials, remains a fundamental challenge across science and engineering, as the underlying rules are often unknown and costly to evaluate. Offline optimization aims to optimize designs for target scores using pre-collected datasets without system interaction. However, conventional approaches may fail beyond training data, predicting inaccurate scores and generating inferior designs. This paper introduces ManGO, a diffusion-based framework that learns the design-score manifold, capturing the design-score interdependencies holistically. Unlike existing methods that treat design and score spaces in isolation, ManGO unifies forward prediction and backward generation, attaining generalization beyond training data. Key to this is its derivative-free guidance for conditional generation, coupled with adaptive inference-time scaling that dynamically optimizes denoising paths. Extensive evaluations demonstrate that ManGO outperforms 24 single- and 10 multi-objective optimization methods across diverse domains, including synthetic tasks, robot control, material design, DNA sequence, and real-world engineering optimization.

cs.LG↗

arXiv2025

Proximalized Preference Optimization for Diverse Feedback Types: A Decomposed Perspective on DPO

Direct alignment methods typically train large language models (LLMs) by contrasting the likelihoods of preferred and dispreferred responses. While effective at capturing relative preferences, these methods are widely observed to suppress the absolute likelihoods of example responses. As a result, aligned models can deviate from expected patterns, exhibiting rewar-hacking effect even without an explicit reward model. This fundamental limitation of contrastive alignment, which we term likelihood underdetermination, motivates us to revisit direct preference optimization (DPO) -- the seminal direct alignment method. Interestingly, we show that the DPO loss admits a principled decomposition. The reformulated loss not only extends naturally to a broader range of feedback types, but also unveils the root cause of likelihood underdetermination. Specifically, we identify that standard DPO implicitly oversimplifies a regularizer in the reformulated loss; restoring this full term effectively resolves the underdetermination. Building on these insights, we introduce PRoximalized PReference Optimization (PRO), a unified alignment method that accommodates diverse feedback types while eliminating likelihood underdetermination through an efficient approximation of the full regularizer. Empirical evaluations demonstrate the consistent superiority of PRO over existing methods across pairwise, binary and scalar feedback.

cs.CL↗

arXiv2025

Generative Models in Decision Making: A Survey

Generative models have fundamentally reshaped the landscape of decision-making, reframing the problem from pure scalar reward maximization to high-fidelity trajectory generation and distribution matching. This paradigm shift addresses intrinsic limitations in classical Reinforcement Learning (RL), particularly the limited expressivity of standard unimodal policy distributions in capturing complex, multi-modal behaviors embedded in diverse datasets. However, current literature often treats these models as isolated algorithmic improvements, rarely synthesizing them into a single comprehensive framework. This survey proposes a principled taxonomy grounding generative decision-making within the probabilistic framework of Control as Inference. By performing a variational factorization of the trajectory posterior, we conceptualize four distinct functional roles: Controllers for amortized policy inference, Modelers for dynamics priors, Optimizers for iterative trajectory refinement, and Evaluators for trajectory guidance and value assessment. Unlike existing architecture-centric reviews, this function-centric framework allows us to critically analyze representative generative families across distinct dimensions. Furthermore, we examine deployment in high-stakes domains, specifically Embodied AI, Autonomous Driving, and AI for Science, highlighting systemic risks such as dynamics hallucination in world models and proxy exploitation. Finally, we chart the path toward Generalist Physical Intelligence, identifying pivotal challenges in inference efficiency, trustworthiness, and the emergence of Physical Foundation Models.

cs.LG↗

arXiv2025

Boosting Cross-problem Generalization in Diffusion-Based Neural Combinatorial Solver via Inference Time Adaptation

Diffusion-based Neural Combinatorial Optimization (NCO) has demonstrated effectiveness in solving NP-complete (NPC) problems by learning discrete diffusion models for solution generation, eliminating hand-crafted domain knowledge. Despite their success, existing NCO methods face significant challenges in both cross-scale and cross-problem generalization, and high training costs compared to traditional solvers. While recent studies on diffusion models have introduced training-free guidance approaches that leverage pre-defined guidance functions for conditional generation, such methodologies have not been extensively explored in combinatorial optimization. To bridge this gap, we propose a training-free inference time adaptation framework (DIFU-Ada) that enables both the zero-shot cross-problem transfer and cross-scale generalization capabilities of diffusion-based NCO solvers without requiring additional training. We provide theoretical analysis that helps understanding the cross-problem transfer capability. Our experimental results demonstrate that a diffusion solver, trained exclusively on the Traveling Salesman Problem (TSP), can achieve competitive zero-shot transfer performance across different problem scales on TSP variants, such as Prize Collecting TSP (PCTSP) and the Orienteering Problem (OP), through inference time adaptation.

cs.LG↗

arXiv2024

Causal Coordinated Concurrent Reinforcement Learning

In this work, we propose a novel algorithmic framework for data sharing and coordinated exploration for the purpose of learning more data-efficient and better performing policies under a concurrent reinforcement learning (CRL) setting. In contrast to other work which make the assumption that all agents act under identical environments, we relax this restriction and instead consider the formulation where each agent acts within an environment which shares a global structure but also exhibits individual variations. Our algorithm leverages a causal inference algorithm in the form of Additive Noise Model - Mixture Model (ANM-MM) in extracting model parameters governing individual differentials via independence enforcement. We propose a new data sharing scheme based on a similarity measure of the extracted model parameters and demonstrate superior learning speeds on a set of autoregressive, pendulum and cart-pole swing-up tasks and finally, we show the effectiveness of diverse action selection between common agents under a sparse reward setting. To the best of our knowledge, this is the first work in considering non-identical environments in CRL and one of the few works which seek to integrate causal inference with reinforcement learning (RL).

stat.ML↗

arXiv2024

Causal Discovery by Kernel Deviance Measures with Heterogeneous Transforms

The discovery of causal relationships in a set of random variables is a fundamental objective of science and has also recently been argued as being an essential component towards real machine intelligence. One class of causal discovery techniques are founded based on the argument that there are inherent structural asymmetries between the causal and anti-causal direction which could be leveraged in determining the direction of causation. To go about capturing these discrepancies between cause and effect remains to be a challenge and many current state-of-the-art algorithms propose to compare the norms of the kernel mean embeddings of the conditional distributions. In this work, we argue that such approaches based on RKHS embeddings are insufficient in capturing principal markers of cause-effect asymmetry involving higher-order structural variabilities of the conditional distributions. We propose Kernel Intrinsic Invariance Measure with Heterogeneous Transform (KIIM-HT) which introduces a novel score measure based on heterogeneous transformation of RKHS embeddings to extract relevant higher-order moments of the conditional densities for causal discovery. Inference is made via comparing the score of each hypothetical cause-effect direction. Tests and comparisons on a synthetic dataset, a two-dimensional synthetic dataset and the real-world benchmark dataset Tübingen Cause-Effect Pairs verify our approach. In addition, we conduct a sensitivity analysis to the regularization parameter to faithfully compare previous work to our method and an experiment with trials on varied hyperparameter values to showcase the robustness of our algorithm.

stat.ML↗

arXiv2023

CausalVAE: Structured Causal Disentanglement in Variational Autoencoder

Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to disentangle independent factors from observations. However, in real scenarios, factors with semantics are not necessarily independent. Instead, there might be an underlying causal structure which renders these factors dependent. We thus propose a new VAE based framework named CausalVAE, which includes a Causal Layer to transform independent exogenous factors into causal endogenous ones that correspond to causally related concepts in data. We further analyze the model identifiabitily, showing that the proposed model learned from observations recovers the true one up to a certain degree by providing supervision signals (e.g. feature labels). Experiments are conducted on various datasets, including synthetic and real word benchmark CelebA. Results show that the causal representations learned by CausalVAE are semantically interpretable, and their causal relationship as a Directed Acyclic Graph (DAG) is identified with good accuracy. Furthermore, we demonstrate that the proposed CausalVAE model is able to generate counterfactual data through "do-operation" to the causal factors.

cs.LG↗

arXiv2023

Efficient Robust Bayesian Optimization for Arbitrary Uncertain Inputs

Bayesian Optimization (BO) is a sample-efficient optimization algorithm widely employed across various applications. In some challenging BO tasks, input uncertainty arises due to the inevitable randomness in the optimization process, such as machining errors, execution noise, or contextual variability. This uncertainty deviates the input from the intended value before evaluation, resulting in significant performance fluctuations in the final result. In this paper, we introduce a novel robust Bayesian Optimization algorithm, AIRBO, which can effectively identify a robust optimum that performs consistently well under arbitrary input uncertainty. Our method directly models the uncertain inputs of arbitrary distributions by empowering the Gaussian Process with the Maximum Mean Discrepancy (MMD) and further accelerates the posterior inference via Nystrom approximation. Rigorous theoretical regret bound is established under MMD estimation error and extensive experiments on synthetic functions and real problems demonstrate that our approach can handle various input uncertainties and achieve state-of-the-art performance.

cs.LG↗

arXiv2023

Convergence guarantee for consistency models

We provide the first convergence guarantees for the Consistency Models (CMs), a newly emerging type of one-step generative models that can generate comparable samples to those generated by Diffusion Models. Our main result is that, under the basic assumptions on score-matching errors, consistency errors and smoothness of the data distribution, CMs can efficiently sample from any realistic data distribution in one step with small $W_2$ error. Our results (1) hold for $L^2$-accurate score and consistency assumption (rather than $L^\infty$-accurate); (2) do note require strong assumptions on the data distribution such as log-Sobelev inequality; (3) scale polynomially in all parameters; and (4) match the state-of-the-art convergence guarantee for score-based generative models (SGMs). We also provide the result that the Multistep Consistency Sampling procedure can further reduce the error comparing to one step sampling, which support the original statement of "Consistency Models, Yang Song 2023". Our result further imply a TV error guarantee when take some Langevin-based modifications to the output distributions.

math.NA↗

arXiv2023

Efficient Bayesian Optimization with Deep Kernel Learning and Transformer Pre-trained on Multiple Heterogeneous Datasets

Bayesian optimization (BO) is widely adopted in black-box optimization problems and it relies on a surrogate model to approximate the black-box response function. With the increasing number of black-box optimization tasks solved and even more to solve, the ability to learn from multiple prior tasks to jointly pre-train a surrogate model is long-awaited to further boost optimization efficiency. In this paper, we propose a simple approach to pre-train a surrogate, which is a Gaussian process (GP) with a kernel defined on deep features learned from a Transformer-based encoder, using datasets from prior tasks with possibly heterogeneous input spaces. In addition, we provide a simple yet effective mix-up initialization strategy for input tokens corresponding to unseen input variables and therefore accelerate new tasks' convergence. Experiments on both synthetic and real benchmark problems demonstrate the effectiveness of our proposed pre-training and transfer BO strategy over existing methods.

cs.LG↗

arXiv2023

On Low Rank Directed Acyclic Graphs and Causal Structure Learning

Despite several advances in recent years, learning causal structures represented by directed acyclic graphs (DAGs) remains a challenging task in high dimensional settings when the graphs to be learned are not sparse. In this paper, we propose to exploit a low rank assumption regarding the (weighted) adjacency matrix of a DAG causal model to help address this problem. We utilize existing low rank techniques to adapt causal structure learning methods to take advantage of this assumption and establish several useful results relating interpretable graphical conditions to the low rank assumption. Specifically, we show that the maximum rank is highly related to hubs, suggesting that scale-free networks, which are frequently encountered in practice, tend to be low rank. Our experiments demonstrate the utility of the low rank adaptations for a variety of data models, especially with relatively large and dense graphs. Moreover, with a validation procedure, the adaptations maintain a superior or comparable performance even when graphs are not restricted to be low rank.

cs.LG↗

arXiv2023

Physics Constrained Flow Neural Network for Short-Timescale Predictions in Data Communications Networks

Machine learning is gaining growing momentum in various recent models for the dynamic analysis of information flows in data communications networks. These preliminary models often rely on off-the-shelf learning models to predict from historical statistics while disregarding the physics governing the generating behaviors of these flows. This paper instead introduces Flow Neural Network (FlowNN) to improve the feature representation with learned physical bias. This is implemented by an induction layer, working upon the embedding layer, to impose the physics connected data correlations, and a self-supervised learning strategy with stop-gradient to make the learned physics universal. For the short-timescale network prediction tasks, FlowNN achieves 17% - 71% of loss decrease than the state-of-the-art baselines on both synthetic and real-world networking datasets, which shows the strength of this new approach.

cs.LG↗