industrial process engineers

Abstract: Industrial computational fluid dynamics (CFD) becomes costly when complex geometries, long transients and coupled physics must be evaluated across large design spaces. We introduce FastAgent, a physics-aware campaign controller built around FastFluent, a lightweight numerical engine for rapid physical screening. FastFluent supplies stage-specific fields and diagnostics; FastAgent allocates physical models, numerical resolution and simulation horizons by the active quantities of interest (QoIs), while returned Fluent discrepancies update subsequent decisions. Across six public CFD benchmark campaigns, the framework reduces normalised worst-QoI error by 5.68-99.14% and accelerates decision-relevant computation by factors of 1.53-15.36 relative to a matched Generic Agent control. Applied to high-pressure steam dewaxing in investment casting, FastAgent identifies nonuniform condensation heating as the dominant startup mechanism and separates rapid risk-window localisation from high-fidelity melt-completion confirmation. The rapid route requires 81.39% fewer cell-time updates than a fine-grid, small-time-step reference. Structural analysis localises fracture at the observed blade edge. Screening 131,072 outlet layouts and selectively evaluating candidates with Fluent and Abaqus identifies Sparse-6, which reduces simulated crack opening by 96.0% and connected crack extent by 66.7% relative to the Original design. These results demonstrate how rapid numerical evidence and adaptive fidelity control connect large CFD search spaces to mechanism-guided industrial design.

Abstract: Reinforcement learning (RL) policies often outperform classical controllers in simulation, yet rarely reach production in safety-critical processes. The barrier is that there is no principled way to answer "Is this policy safe to deploy?" with statistical guarantees. We introduce DEPLOY-RL, a post-training certification framework built on one key insight: deployment certification requires discovering where failures occur (boundary discovery), not measuring how much everywhere (uniform reconstruction). Our contributions: (1) a contract-coupled acquisition function that concentrates sampling on certification-critical boundaries, achieving approximately 2x sample efficiency with a semi-empirical ambiguity reduction bound (domain-calibrated convergence guarantee); (2) conformal risk control providing finite-sample false-go guarantees (<= alpha) under explicit deployment contracts; (3) a three-way decision framework (Deploy/No-Deploy/Abstain) with fail-safe PID/MPC fallback. In simulations on papermaking (industrial digital twin) and Tennessee Eastman (public benchmark), DEPLOY-RL achieves 4.4% false-go rate (vs. 8.6% for the best baseline) while retaining 88.6% policy coverage, the only method achieving <5% false-go with >85% coverage among 14 baselines under our evaluation protocol.

Abstract: In experiment-driven black-box optimization, each evaluation can consume materials, equipment time, and other resources, limiting the number of experiments available for a new task. Records from completed related optimization campaigns could help, but learning a sequential query policy remains challenging when task-specific experience consists of only a few sparse histories. We propose CAP (Candidate Acquisition Policy), which models shared structure and task-specific variation in fixed historical records to sample interactive practice functions. On these functions, CAP learns a feedback-conditioned query policy aimed at final optimization performance under a fixed evaluation budget. At deployment, its parameters remain fixed while each new observation informs the next query. Across five synthetic task families spanning 6 and 20 dimensions and two engineering simulation benchmarks, BOPTEST and SU2, CAP attains the lowest median final-budget value among the reported methods on four synthetic families and both engineering benchmarks. These results indicate that sparse records from completed related tasks can support adaptive query decisions on new tasks, making more effective use of limited, costly experimental evaluations.

Abstract: Drying battery electrodes faster saves energy but drives dissolved binder toward the film surface, depleting the current-collector interface and weakening adhesion. Models of this migration stop convecting the binder when film consolidation ends, and models of the subsequent pore emptying omit the binder or start from an assumed binder field, so no simulation has followed binder convection through both stages that a drying schedule acts on. This study presents a continuous simulation of the dissolved binder field across both stages, driven by the published drying rates and completed by effective descriptions of the two questions the base transport physics leaves open: where the liquid of the consolidating film carries the binder, and when the binder stops moving as the pores empty. With a single parameter set, the simulation reproduces three types of published measurements: the change of the surface-to-interface binder ratio with drying rate over a factor of 5.6 and the surface and interface binder levels of films six times thicker; concentration profiles through the film interior; and the response of the interface binder to the time at which the drying rate is switched mid-process. Applied without further adjustment to a published three-stage schedule, the model reproduces the shortened drying and the full interface recovery when the rate is lowered early, and shows that its final high-rate stage begins after the binder has stopped. Combined with a coater-scale process model, the model can be used to identify operating points for electrode production that improve energy efficiency and product quality together.

Abstract: Quality prediction in multistage manufacturing is challenging when inter-stage lags vary over time, as measurements taken at the same timestamp may reflect different process states. Existing approaches often preserve production order but fuse timestamp-aligned features or model delayed dependencies implicitly, without identifying the upstream history relevant to each downstream observation. We propose Delay-Guided Attention for Multi-stage Forecasting (DAMF), which explicitly estimates inter-stage lag distributions and uses them to guide cross-stage information transfer for final quality prediction. For each adjacent stage pair, a lag predictor compares the current downstream representation with candidate lagged upstream representations. An occurrence-magnitude factorization separately estimates the probability of a positive lag and its conditional magnitude, yielding a sample- and stage-pair-specific distribution over discrete lag states without requiring plant-specified delays at inference. DelayAlignment incorporates this soft distribution as a temporal prior into differentiable cross-stage attention, while gated residual fusion regulates information propagation across production stages. For interpretation, segment-wise Viterbi decoding converts pointwise lag distributions into temporally coherent lag paths, whereas forecasting retains the soft distributions for alignment. On the real-world LiquidSugar dataset, DAMF improves final quality prediction over the compared baselines. Evaluations on two controlled-delay benchmarks show more accurate and stable lag recovery, and ablation studies support the contributions of lag prediction, delay-guided attention, and structured temporal decoding.

Abstract: LLM planning research has traditionally focused on discrete-state domains, where actions form a finite, enumerable set. Existing LLM planning frameworks largely assume actions are enumerable, modeling planning as a search process over candidate actions. However, in continuous-state domains, where actions form a continuum and cannot be enumerated, this assumption breaks down. We find a remedy in Newell and Simon's Means-Ends Analysis (MEA), a general problem-solving technique rooted in heuristics from human psychology. We develop Medaka, an MEA-inspired structured prompting framework that encourages recursive goal decomposition, algebraic derivation, and per-step state tracking. To evaluate native LLM planning abilities in continuous-state domains, we develop Liquidworld, a systematic testbed on liquid mixing. On Liquidworld, Medaka can improve performance across model families, suggesting that classical means-ends analysis elicits LLM-native reasoning abilities that are helpful for continuous-state planning.

Abstract: Large language models (LLMs) can now perceive, describe, and reason about images and audio, yet time series understanding remains underestimated: most work uses LLMs as forecasters and classifiers, reasoning studies are few and narrow, and no suite trains and evaluates the full range of capabilities. In this paper, we build the first such suite, with 337K training and 44K evaluation samples across three progressive capabilities, Perceive, Solve, and Reason, and use it to ask how time series should enter an LLM that must master all three, and in what order. We find that a dedicated encoder is essential: with one, a 4B model surpasses GPT-4o on every perception attribute we test, whereas textualizing the series costs 8--10 points in reasoning accuracy. The capabilities then build on one another: learning them in order beats mixing the same data and rivals reasoning-only training with over three times the reasoning data, but only when an encoder is used. Analyses further reveal that capabilities are transferred through distinct network depths rather than simply stacked, and that a stage converged on its own benchmark is not necessarily ready for the next. Distilled into a simple recipe, these findings yield 4B TS-LLMs that, without any target-domain data, outperform four recent 7B TS-LLMs on seven of eight out-of-domain metrics, by up to 11 points. We therefore advocate treating time series as a first-class modality for LLMs, read through dedicated encoders and taught to perceive before they reason.

Abstract: In real-world scenarios, industrial processes can span multiple factories and goods are often produced at multiple sites, leading to a shared yet non-identical distribution of data across locations. To address this, we propose two federated approaches for i) combining existing coresets (Double Subsampling) and ii) creating new coresets (Federated Subsampling) in a distributed anomaly detection setting. In particular, we adapt the memory bank based PatchCore algorithm to a federated setting, resulting in increased cold-start performance, resilience to domain- and sensor-shift, and resilience to unreliable actor participation, a common problem in classical, network based federated learning strategies.

Abstract: Exact stochastic equations for non-equilibrium dynamics are rarely accessible. We show that the long-time evolution of stochastic dynamics can be predicted from configuration pairs at a fixed short time lag, without knowledge of the equation of motion. Generative diffusion models learn the finite-time transition kernel from these pairs, and iterating it propagates the dynamics far beyond the training lag. For two-dimensional Model B, the diffusive dynamics of a conserved order parameter, the learned kernels reproduce dynamic critical scaling and self-similar $t^{1/3}$ coarsening. Agreement with direct simulations persists on lattices twice the largest training size and for initial ensembles absent from training. For driven colloids in a periodic optical potential, ten minutes of measured trajectories suffice to predict the particle current and mean passage time over the next twenty minutes within experimental uncertainty. Short-time observations thus contain the information needed to predict emergent non-equilibrium dynamics at much longer times.

Abstract: Autonomous research agents can generate hypotheses and conduct experiments, but experimentation remains a major source of computational cost. A fundamental challenge is deciding which experiments are worth running, particularly when prior evidence is insufficient to resolve uncertainty. Yet current research agents lack a systematic way to leverage experimental experience when making such decisions. We introduce Experimental Experience Modeling (EEM), a framework for making informed experimental decisions by acquiring, reusing, and accumulating experimental experience. EEM extracts decision-relevant records from earlier experimental trajectories, distills them into reusable experience, and organizes them in an experience library. For a new experimental decision, EEM retrieves relevant historical experience and assesses whether it provides sufficient support for deciding whether a candidate direction warrants further investment. When historical experience is insufficient, EEM conducts a targeted, low-cost pilot experiment to acquire the missing decision-relevant experience on demand. It then combines this newly acquired experience with retrieved historical experience to determine whether the direction warrants full-scale evaluation, which requires substantial resources. The resulting experimental outcomes are further distilled into reusable experience, allowing the library to continually grow through iterative accumulation. Experiments on autonomous research benchmarks show that EEM improves research performance while reducing model interaction overhead, demonstrating the value of reusing accumulated experience and acquiring additional experience only when needed.

Abstract: As the world moves towards sustainable energy sources, hydrogen (H2) can be treated as an eco-friendly alternative to fossil fuels due to its high energy density and zero carbon emissions. The water-gas shift (WGS) reaction is a widely used industrial process for hydrogen production by converting carbon monoxide and steam into hydrogen and carbon dioxide. However, occurrences like severe fouling, catalyst deterioration, and thermal runaway can hamper the reaction kinetics/process safety and decrease the yield of H2. These incidents are rare, and gathering process data under such abnormal conditions is challenging. In this work, we propose a physics-guided conditional diffusion model to generate realistic rare-event trajectories for the WGS reaction. The proposed model integrates a conditional denoising diffusion probabilistic model (CDDPM) with governing laws of the reaction to generate physically consistent process trajectories. The conditioning features allow the model to produce high-quality synthetic profiles for rare-event domains that are typically beyond the training regimes. The generated rare-event trajectories then augment the raw dataset for a balanced distribution between normal and abnormal conditions. We further propose a hazard score to assess the risk severity of the operating condition based on the operating trajectory. Deep learning models are trained with the augmented dataset to diagnose the health status of the reaction. Simulation results show that the proposed physics-guided diffusion model outperforms data-driven models in terms of the quality of synthetic data and diagnosis performance for rare events.

Abstract: Federated Bayesian Optimization (FBO) enables distributed agents to collaboratively optimize expensive black-box objectives without sharing raw local observations. However, effective knowledge transfer remains challenging under communication constraints and task heterogeneity. We propose GUIDE-FBO, in which agents exchange compact distributions over the locations of their respective optima inferred from local Gaussian process (GP) posteriors, rather than raw observations, query points, or surrogate parameters. The server merges and reweights these distributional components before returning a subset to each agent. Each agent then constructs a Federated Interventional GP (FI-GP), which preserves the local posterior mean and spatially rescales its covariance for local decision making. For the upper confidence bound (UCB) instantiation, GUIDE-UCB, we prove that any bounded FI-GP uncertainty intervention preserves the leading-order cumulative regret rate of standard GP-UCB. When the transferred distributions place greater support near an optimum than in a suboptimal region, selecting the latter requires greater local posterior uncertainty. Experiments on 12 synthetic benchmarks and three real-world optimization tasks show that GUIDE-FBO remains effective across settings ranging from homogeneous to severely heterogeneous. Ablation results highlight the importance of spatially localized uncertainty intervention, while the communication analysis shows that GUIDE-FBO exchanges only compact distributional messages.

Abstract: Unobserved common causes are pervasive in real-world time series and can induce spurious associations that causal discovery methods mistake for direct edges. We propose LUCID (Learning Under Confounding for Inference and Discovery, a regime-adaptive deconfounding layer that first estimates the confounding regime from data using a Marčenko--Pastur spectral router, then applies a deconfounding strategy matched to that regime. When the spectrum indicates pervasive factor confounding, LUCID attenuates factor-dominated variation and recovers contemporaneous (lag-$0$) structure from the resulting innovations, with edge selection calibrated against a data-driven edge-free null. Rather than being tied to a particular discovery algorithm, it can wrap existing discovery engines; we demonstrate consistent improvements across three such methods. On a diverse synthetic out-of-distribution benchmark spanning changes in confounder strength and sparsity, loading density, lag structure, volatility dynamics, edge heterogeneity, persistence, intermittency, and tail behavior, LUCID achieves the best family-weighted directed, lag-resolved graph $F_1$ ($0.60$), improving over the strongest baseline by $0.19$ absolute ($\approx\!46\%$ relative). Its advantage widens relative to looser lag-collapsed scoring, and remains robust under intermittent and heavy-tailed confounding. Code reproducing the method, the benchmark generators, and every reported experiment is available at https://github.com/bloomberg/causal-ts.

Abstract: Virtual sensing repeatedly reconstructs physical fields from changing observations, often on a fixed geometry. We investigate how shared spatial computation reduces the energy of these updates while retaining the selected checkpoint and its evaluated predictions. In a heat-exchanger service, standard compiler freezing and explicit trunk reuse give similar operating energy reductions relative to graph replay: approximately 1% at one request per second and 20% at forty requests per second. In 15 W mode with fixed clocks, reuse with graph replay completes the same request sequence with 22.0 to 22.5% less energy than eager execution, including preparation and waiting. DeepONet and Fourier neural operator (FNO) controls distinguish the effects of reusable arithmetic and launch overhead. Preparation, artifact construction, and worker replacement add costs outside repeated inference. These results connect operator structure to operating energy and show how update frequency and execution lifetime govern the benefit of computation reuse in physical-field virtual sensing.

Abstract: Phase-field trajectories governed by the Allen--Cahn equation determine the effective force $G=F'/\eps^2$, but not the free-energy potential $F$ and interfacial scale $\eps$ separately. We introduce surface-tension-calibrated Allen--Cahn identification (STAC), a two-step method that resolves this ambiguity using an independently supplied surface tension. First, space--time weak moments produce a linear inverse problem without differentiating the measured field. A Bernstein representation with positive coefficients enforces two stable pure phases and a single central energy maximum. Second, the surface tension fixes the remaining scale algebraically. We prove scale equivalence of the forward model, uniqueness of the calibrated pair within this class, and finite perturbation bounds that remain valid when the potential vanishes at the pure phases. Experiments with resolved synthetic phase fields separate the effects of the structural constraint, ridge regularization, and constitutive approximation error. Across 80 shared noisy records, unconstrained degree-five regression produces six potentials with an incorrect well structure. Positivity combined with ridge regularization eliminates these violations and reduces the mean force error from 8.70\% to 5.66\%. Lower-degree models are nevertheless more accurate in some tests, and an admissible law outside the positive Bernstein family shows how the constraint can introduce approximation bias. STAC thus recovers a structurally admissible, physically scaled potential while making explicit which information comes from the observed dynamics and which comes from the independent surface-tension datum.

Abstract: Multi-target regression requires a model to simultaneously predict several related outputs. Conformal prediction provides distribution-free, finite-sample marginal coverage guarantees, but extending these to joint multi-dimensional regions in a model-agnostic, sample-efficient manner remains challenging: max-aggregation ignores scale differences, copula-based methods are only asymptotically valid, rectangular methods typically split the calibration set, and quantile or density-based methods require training a specialised model beyond a plain point predictor. We propose the scaling-score conformal method, which is model-agnostic (requires only component-wise absolute residuals), uses a single calibration set, and yields four nested output types: an outer rectangle (SCO) with valid joint coverage, the exact set R $α$ , a staircase (SC 2 ) over approximation of R $α$ , and an inner rectangle (SCI). A single hyperparameter $γ$ $\in$ (0, 1) controls the base-rectangle quantile level independently of $α$. We prove downward-closedness and a rectangular sandwich bound and derive a closed-form outer rectangle. Experiments on 29 realworld datasets confirm valid joint coverage; SC 2 with $γ$ = 1-$α$ consistently achieves competitive volume relative to baselines, with the advantage growing with output dimension d.

Abstract: Manufacturing consumes one third of global energy and still has significant room for improvement in terms of energy efficiency. Optimal process control is essential for this purpose. However, synthesizing mathematical optimization models from messy, real-world industrial specifications requires bridging unstructured natural language and spatial diagrams with rigorous mathematical syntax. This poses a profound challenge for general-purpose Large Language Models (LLMs), which may introduce invalid constraints when tasked with modeling continuous multi-physics dynamics. To address this, we introduce little m, an AI agent designed to assist the formulation of industrial process control models. Combining a domain-specific knowledge repository with LLM-driven interaction, the proposed framework formulates real-world optimization problems as mathematical models. For systematic evaluation, we introduce the Industrial Process Control Benchmark (IPC-Bench), a novel multimodal dataset of 50 canonical scenarios requiring joint reasoning over text and process diagrams. Through comprehensive automated structural assessments and double-blind human evaluation, little m substantially outperforms state-of-the-art LLMs, generating semantically correct models. These evaluations assess formulation quality rather than solver feasibility, formal physical validity, or closed-loop industrial performance. The implementation of little m and the IPC-Bench dataset are available at https://github.com/yeyongchao/process-modeling-benchmark.

Abstract: Void fraction, which quantifies the proportion of the fluid flow volume occupied by the gas phase, is a key parameter in the characterization of gas-liquid two-phase flow. Existing estimation methods either rely on flow assumptions that do not generalize across different fluids or on intrusive sensing that disturbs the flow behavior. We propose VFNet, a dual-branch spatio-temporal neural network for void-fraction prediction from synchronized multi-view videos of two-phase flow. A local branch extracts features from confined spatial regions and fuses the synchronized dual views, while a spatio-temporal branch captures the global evolution of the flow across space and time to refine a coarse geometric estimate. Trained on simulated computational fluid dynamics (CFD) data with known ground-truth void fractions and evaluated against both learning-based and traditional baselines, VFNet achieves the best performance across a broad range of metrics and also improves downstream flow-pattern classification on real two-phase flow data.

Abstract: In this paper, we propose a class-wise dimension (channel) selection framework for Multivariate Time Series Classification (MTSC). Rather than applying a single global dimension selection process, the proposed approach independently identifies informative dimensions for each class. A dedicated learning process is subsequently performed for each class, followed by a fusion stage for final prediction. The objective is to improve the generation of discriminative feature representations while reducing the influence of noisy or non-informative dimensions. The proposed framework is evaluated using MiniRocket, a random kernel-based baseline method. Experimental results indicate that class-wise dimension selection improves the quality of extracted representations and can enhance classification performance, particularly in high-dimensional settings. These findings suggest that incorporating class-specific information into the training process represents a promising direction for MTSC, improving robustness through consistent gains across heterogeneous datasets, and interpretability through the explicit identification of class-relevant dimensions.