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Sep 15

OptDist: Learning Optimal Distribution for Customer Lifetime Value Prediction

Customer Lifetime Value (CLTV) prediction is a critical task in business applications. Accurately predicting CLTV is challenging in real-world business scenarios, as the distribution of CLTV is complex and mutable. Firstly, there is a large number of users without any consumption consisting of a long-tailed part that is too complex to fit. Secondly, the small set of high-value users spent orders of magnitude more than a typical user leading to a wide range of the CLTV distribution which is hard to capture in a single distribution. Existing approaches for CLTV estimation either assume a prior probability distribution and fit a single group of distribution-related parameters for all samples, or directly learn from the posterior distribution with manually predefined buckets in a heuristic manner. However, all these methods fail to handle complex and mutable distributions. In this paper, we propose a novel optimal distribution selection model OptDist for CLTV prediction, which utilizes an adaptive optimal sub-distribution selection mechanism to improve the accuracy of complex distribution modeling. Specifically, OptDist trains several candidate sub-distribution networks in the distribution learning module (DLM) for modeling the probability distribution of CLTV. Then, a distribution selection module (DSM) is proposed to select the sub-distribution for each sample, thus making the selection automatically and adaptively. Besides, we design an alignment mechanism that connects both modules, which effectively guides the optimization. We conduct extensive experiments on both two public and one private dataset to verify that OptDist outperforms state-of-the-art baselines. Furthermore, OptDist has been deployed on a large-scale financial platform for customer acquisition marketing campaigns and the online experiments also demonstrate the effectiveness of OptDist.

  • 7 authors
·
Aug 16, 2024

Bringing Value Models Back: Generative Critics for Value Modeling in LLM Reinforcement Learning

Credit assignment is a central challenge in reinforcement learning (RL). Classical actor-critic methods address this challenge through fine-grained advantage estimation based on a learned value function. However, learned value models are often avoided in modern large language model (LLM) RL because conventional discriminative critics are difficult to train reliably. We revisit value modeling and argue that this difficulty is partly due to limited expressiveness. In particular, representation complexity theory suggests that value functions can be hard to approximate under the one-shot prediction paradigm used by existing value models, and our scaling experiments show that such critics do not improve reliably with scale. Motivated by this observation, we propose Generative Actor-Critic (GenAC), which replaces one-shot scalar value prediction with a generative critic that performs chain-of-thought reasoning before producing a value estimate. We further introduce In-Context Conditioning, which helps the critic remain calibrated to the current actor throughout training. GenAC improves value approximation, ranking reliability, and out-of-distribution generalization, and these gains translate into stronger downstream RL performance than both value-based and value-free baselines. Overall, our results suggest that stronger value modeling is a promising direction for improving credit assignment in LLM reinforcement learning.

  • 4 authors
·
Apr 11

Vision Language Models are In-Context Value Learners

Predicting temporal progress from visual trajectories is important for intelligent robots that can learn, adapt, and improve. However, learning such progress estimator, or temporal value function, across different tasks and domains requires both a large amount of diverse data and methods which can scale and generalize. To address these challenges, we present Generative Value Learning (\GVL), a universal value function estimator that leverages the world knowledge embedded in vision-language models (VLMs) to predict task progress. Naively asking a VLM to predict values for a video sequence performs poorly due to the strong temporal correlation between successive frames. Instead, GVL poses value estimation as a temporal ordering problem over shuffled video frames; this seemingly more challenging task encourages VLMs to more fully exploit their underlying semantic and temporal grounding capabilities to differentiate frames based on their perceived task progress, consequently producing significantly better value predictions. Without any robot or task specific training, GVL can in-context zero-shot and few-shot predict effective values for more than 300 distinct real-world tasks across diverse robot platforms, including challenging bimanual manipulation tasks. Furthermore, we demonstrate that GVL permits flexible multi-modal in-context learning via examples from heterogeneous tasks and embodiments, such as human videos. The generality of GVL enables various downstream applications pertinent to visuomotor policy learning, including dataset filtering, success detection, and advantage-weighted regression -- all without any model training or finetuning.

  • 18 authors
·
Nov 7, 2024

RynnValue: Scaling Robotic Value Foundation Models with Temporal Distance

General-purpose reward models are increasingly the bottleneck for scaling robot learning, yet the recipe for learning value-related capabilities from large-scale heterogeneous corpora remains underexplored. Existing approaches tie supervision to task-internal anchors such as preferences or normalized progress, none of which transfer cleanly across embodiments and data sources. We introduce RynnValue, an open-source value foundation model for robotic manipulation that replaces these anchors with temporal distance, the directed cost-to-go from an observation to the language-specified goal. Because temporal-distance labels can be derived directly from timestamps, RynnValue scales to over 7,000 hours and roughly 3M instruction-conditioned clips without preference or progress annotations. To make temporal-value learning reliable at scale, we combine random temporal sampling, temporal-order shuffling, and value-isolation attention, suppressing shortcuts that would leave predictions insensitive to failures and regressions. Trained without preference labels, RynnValue attains an average Kendall's tau_a of 0.675 on RBM-EVAL-OOD, surpassing the fully preference-supervised state of the art (0.655) and more than doubling a progress-only counterpart (0.292), while generalizing zero-shot to unseen tasks, embodiments, and viewpoints. Converted into dense rewards via potential-based shaping, it raises real-world policy success from 52.5% to 72.5% online and from 63.8% to 82.5% offline. These results establish temporal distance as a scalable supervision target and practical reward interface for generalist robot policies.

TabPFN-3: Technical Report

Tabular data underpins most high-value prediction problems in science and industry, and TabPFN has driven the foundation model revolution for this modality. Designed with feedback from our users, TabPFN-3 builds on this foundation to scale state-of-the-art performance to datasets with 1M training rows and substantially reduce training and inference time. Pretrained exclusively on synthetic data from our prior, TabPFN-3 dramatically pushes the frontier of tabular prediction and brings substantial gains on time series, relational, and tabular-text data. On the standard tabular benchmark TabArena, a forward pass of TabPFN-3 outperforms all other models, including tuned and ensembled baselines, by a significant margin, and pareto-dominates the speed/performance frontier. On more diverse datasets, TabPFN-3 ranks first on datasets with many classes, and beats 8-hour-tuned gradient-boosted-tree baselines on datasets up to 1M training rows and 200 features. TabPFN-3 introduces test-time compute scaling to tabular foundation models. Our API offering TabPFN-3-Plus (Thinking) exploits this to beat all non-TabPFN models by over 200 Elo on TabArena, rising to 420 Elo on the largest data subset, and outperforms AutoGluon 1.5 extreme while being 10x faster, without using LLMs, real data, internet search or any other model besides TabPFN. TabPFN-3 extends the capabilities of our models, enabling SOTA prediction on relational data (new SOTA foundation model on RelBenchV1) and tabular-text data (SOTA on TabSTAR via TabPFN-3-Plus); and improves existing integrations: a specialized checkpoint, TabPFN-TS-3, ranks 2nd on the time-series benchmark fev-bench, and SHAP-value computation is up to 120x faster. TabPFN-3 achieves this performance while being up to 20x faster than TabPFN-2.5. In addition, a reduced KV cache and row-chunking scale to 1M rows on one H100 with fast inference speed.

  • 42 authors
·
May 12

FlowBank: Query-Adaptive Agentic Workflows Optimization through Precompute-and-Reuse

Large Language Model (LLM)-based multi-agent systems are increasingly powerful, but current agentic workflow optimization paradigms make an unsatisfying trade-off. Task-level methods spend substantial offline compute yet deploy only a single workflow, leaving complementary candidates unused, while query-level methods synthesize a new workflow per query at substantial inference cost. Our motivating analysis shows these paradigms are more complementary than competing: workflows discovered during offline search often solve different subsets of queries, and many queries handled by expensive query-level generation can already be solved by cheaper precomputed workflows. This suggests a different objective: rather than searching for one universally best workflow or regenerating one per instance, we should build a compact bank of reusable, complementary workflows and select among them adaptively at inference time. Doing so requires solving three coupled problems: generating complementary rather than redundant candidates, compressing them into a small deployable portfolio, and assigning each query to the right workflow under a performance-cost trade-off. To this end, we present FlowBank, a three-stage framework for portfolio-based agentic workflow optimization. Diversifying proposes DiverseFlow to steer search toward under-covered queries and produce a high-coverage candidate pool. Curating proposes CuraFlow to compress this pool into a compact portfolio with minimal redundancy. Matching casts deployment as edge-value prediction on a query-workflow bipartite graph and routes each incoming query to the portfolio member with the best predicted utility. Across five benchmarks, FlowBank achieves the highest average score among the evaluated methods while remaining cost-competitive, improving over the strongest automated and handcrafted baselines by 4.26% and 14.92% relative, respectively.

  • 6 authors
·
Jun 8

What Does Flow Matching Bring To TD Learning?

Recent work shows that flow matching can be effective for scalar Q-value function estimation in reinforcement learning (RL), but it remains unclear why or how this approach differs from standard critics. Contrary to conventional belief, we show that their success is not explained by distributional RL, as explicitly modeling return distributions can reduce performance. Instead, we argue that the use of integration for reading out values and dense velocity supervision at each step of this integration process for training improves TD learning via two mechanisms. First, it enables robust value prediction through test-time recovery, whereby iterative computation through integration dampens errors in early value estimates as more integration steps are performed. This recovery mechanism is absent in monolithic critics. Second, supervising the velocity field at multiple interpolant values induces more plastic feature learning within the network, allowing critics to represent non-stationary TD targets without discarding previously learned features or overfitting to individual TD targets encountered during training. We formalize these effects and validate them empirically, showing that flow-matching critics substantially outperform monolithic critics (2times in final performance and around 5times in sample efficiency) in settings where loss of plasticity poses a challenge e.g., in high-UTD online RL problems, while remaining stable during learning.

  • 3 authors
·
Mar 4

SAPO: Single-Rollout Autoregressive Policy Optimization for Agentic Reinforcement Learning

Agentic reinforcement learning (RL) has become a critical stage in the post-training of large language models. Existing critic-free, group-relative methods estimate policy advantages from multiple rollouts, avoiding the substantial memory overhead of conventional proximal policy optimization (PPO) and achieving strong performance on long-horizon interactive tasks. Despite their success, recent studies revealed three limitations: (1) Lack explicit value generalization and effective temporal credit assignment; (2) Suffer from potential advantage collapse in long-horizon complex tasks; (3) Require a costly trade-off between sampling budget and policy performance. In this work, we propose Single-rollout Autoregressive Policy Optimization (SAPO), a low-memory and compute-efficient framework in which the policy and value functions share a single autoregressive backbone. SAPO exploits the autoregressive structure of LLMs to produce policy and value predictions at distinct causal boundaries with shared parameters, while independently optimizing the PPO objectives and auxiliary on-policy SARSA objectives. To robustly estimate the contribution of each turn, we further introduce a trajectory-level generalized advantage estimator that combines lambda-returns with batch normalization. Experiments across ALFWorld and WebShop with Qwen2.5-1.5B/7B show that SAPO trains stably and outperforms PPO and GRPO by mean +15.1 and +12.1 percentage points, respectively, while eliminating the memory cost of a separate critic model and reducing per-iteration runtime by 33.2% over PPO.

  • 4 authors
·
Aug 19

Post-processing Probabilistic Forecasts of the Solar Wind by Data Mining Similar Scenarios

The solar wind speed at Earth is one of the most important parameters regarding the effects of space weather on society. Thus far, most approaches for predicting the solar wind speed produce a single-value time series without uncertainty, or utilize ensemble methods which require custom calibration development. In this study, a method is developed that produces calibrated probabilistic forecasts of the solar wind speed using skew normal distributions and a novel extension of analog ensembles. In our extension, the single-value predictions from a baseline model of the next Δt days are used along with Δwindow hours of recent observations and single-value predictions to create a forecasting scenario vector that is compared against a historical database for outcomes. The baseline model used is the combined Air Force Data Assimilative Photospheric Flux Transport-Wang Sheeley Arge (ADAPT-WSA) model and the WSA point parcel simulation, but the method is directly applicable to other deterministic models including components such as Enlil or the Heliospheric Upwind Extrapolation with time dependence model (HUXt). The approach works notably well on the benchmark of whether observations fall within the p^{th} percentile p% of the time (for p between 0 and 100). Falling back on the mean or median of the predicted distribution as a non-probabilistic prediction yields a direct improvement in root-mean-square error (RMSE) over the original WSA point parcel simulation, and is shown to beat approx 1 solar rotation recurrence for 1-5 day ahead forecasts.

  • 4 authors
·
Mar 11

Auto-Fill: Learning to Predict Missing Values Accurately with Specialist Language Models

Predicting missing cell values in tabular data is a fundamental problem in data cleaning. While state-of-the-art reasoning models show great promise in predicting missing values in tables, by reasoning holistically across rows and columns, they are costly to deploy at scale and tend to be overconfident, often generating hallucinated or false-positive predictions. In this paper, we observe that achieving high-precision missing-value prediction in tables requires a distinct combination of three capabilities: (1) world knowledge, (2) text-based reasoning, and (3) code-based reasoning. We systematically explore design choices for combining these capabilities, and propose an Auto-Fill approach that post-trains three specialist small language models (SLMs), each optimized for one capability. We develop a calibrated ensemble mechanism that either dynamically selects the most confident specialist or abstains, ensuring high accuracy. Extensive experiments on 11 benchmarks with 2200 real tables drawn from diverse domains show that Auto-Fill achieves superior accuracy compared to state-of-the-art reasoning models (e.g., o3-pro, Gemini 3 Pro, and DeepSeek R1), while operating at a fraction (less than 1%) of the cost of these frontier models. Our results highlight the effectiveness of specialization and calibrated abstention in the important domain of tabular data. Auto-Fill is publicly available at https://github.com/lyrain2001/auto-fill.

  • 7 authors
·
Jul 21

Decoupled Q-Chunking

Temporal-difference (TD) methods learn state and action values efficiently by bootstrapping from their own future value predictions, but such a self-bootstrapping mechanism is prone to bootstrapping bias, where the errors in the value targets accumulate across steps and result in biased value estimates. Recent work has proposed to use chunked critics, which estimate the value of short action sequences ("chunks") rather than individual actions, speeding up value backup. However, extracting policies from chunked critics is challenging: policies must output the entire action chunk open-loop, which can be sub-optimal for environments that require policy reactivity and also challenging to model especially when the chunk length grows. Our key insight is to decouple the chunk length of the critic from that of the policy, allowing the policy to operate over shorter action chunks. We propose a novel algorithm that achieves this by optimizing the policy against a distilled critic for partial action chunks, constructed by optimistically backing up from the original chunked critic to approximate the maximum value achievable when a partial action chunk is extended to a complete one. This design retains the benefits of multi-step value propagation while sidestepping both the open-loop sub-optimality and the difficulty of learning action chunking policies for long action chunks. We evaluate our method on challenging, long-horizon offline goal-conditioned tasks and show that it reliably outperforms prior methods. Code: github.com/ColinQiyangLi/dqc.

  • 3 authors
·
Dec 11, 2025

TRACED: Execution-aware Pre-training for Source Code

Most existing pre-trained language models for source code focus on learning the static code text, typically augmented with static code structures (abstract syntax tree, dependency graphs, etc.). However, program semantics will not be fully exposed before the real execution. Without an understanding of the program execution, statically pre-trained models fail to comprehensively capture the dynamic code properties, such as the branch coverage and the runtime variable values, and they are consequently less effective at code understanding tasks, such as retrieving semantic clones and detecting software vulnerabilities. To close the gap between the static nature of language models and the dynamic characteristics of programs, we introduce TRACED, an execution-aware pre-training strategy for source code. Specifically, we pre-train code language models with a combination of source code, executable inputs, and corresponding execution traces. Our goal is to teach code models the complicated execution logic during the pre-training, enabling the model to statically estimate the dynamic code properties without repeatedly executing code during task-specific fine-tuning. To illustrate the effectiveness of our proposed approach, we fine-tune and evaluate TRACED on three downstream tasks: static execution estimation, clone retrieval, and vulnerability detection. The empirical results show that TRACED relatively improves the statically pre-trained code models by 12.4% for complete execution path prediction and by 25.2% for runtime variable value predictions. TRACED also significantly outperforms statically pre-trained models in clone retrieval and vulnerability detection across four public benchmarks.

  • 6 authors
·
Jun 12, 2023

GenPRM: Scaling Test-Time Compute of Process Reward Models via Generative Reasoning

Recent advancements in Large Language Models (LLMs) have shown that it is promising to utilize Process Reward Models (PRMs) as verifiers to enhance the performance of LLMs. However, current PRMs face three key challenges: (1) limited process supervision and generalization capabilities, (2) dependence on scalar value prediction without leveraging the generative abilities of LLMs, and (3) inability to scale the test-time compute of PRMs. In this work, we introduce GenPRM, a generative process reward model that performs explicit Chain-of-Thought (CoT) reasoning with code verification before providing judgment for each reasoning step. To obtain high-quality process supervision labels and rationale data, we propose Relative Progress Estimation (RPE) and a rationale synthesis framework that incorporates code verification. Experimental results on ProcessBench and several mathematical reasoning tasks show that GenPRM significantly outperforms prior PRMs with only 23K training data from MATH dataset. Through test-time scaling, a 1.5B GenPRM outperforms GPT-4o, and a 7B GenPRM surpasses Qwen2.5-Math-PRM-72B on ProcessBench. Additionally, GenPRM demonstrates strong abilities to serve as a critic model for policy model refinement. This work establishes a new paradigm for process supervision that bridges the gap between PRMs and critic models in LLMs. Our code, model, and data will be available in https://ryanliu112.github.io/GenPRM.

  • 11 authors
·
Apr 1, 2025 3

Transfer Learning Using Ensemble Neural Networks for Organic Solar Cell Screening

Organic Solar Cells are a promising technology for solving the clean energy crisis in the world. However, generating candidate chemical compounds for solar cells is a time-consuming process requiring thousands of hours of laboratory analysis. For a solar cell, the most important property is the power conversion efficiency which is dependent on the highest occupied molecular orbitals (HOMO) values of the donor molecules. Recently, machine learning techniques have proved to be very useful in building predictive models for HOMO values of donor structures of Organic Photovoltaic Cells (OPVs). Since experimental datasets are limited in size, current machine learning models are trained on data derived from calculations based on density functional theory (DFT). Molecular line notations such as SMILES or InChI are popular input representations for describing the molecular structure of donor molecules. The two types of line representations encode different information, such as SMILES defines the bond types while InChi defines protonation. In this work, we present an ensemble deep neural network architecture, called SINet, which harnesses both the SMILES and InChI molecular representations to predict HOMO values and leverage the potential of transfer learning from a sizeable DFT-computed dataset- Harvard CEP to build more robust predictive models for relatively smaller HOPV datasets. Harvard CEP dataset contains molecular structures and properties for 2.3 million candidate donor structures for OPV while HOPV contains DFT-computed and experimental values of 350 and 243 molecules respectively. Our results demonstrate significant performance improvement from the use of transfer learning and leveraging both molecular representations.

  • 6 authors
·
Mar 7, 2019

ExecVerify: White-Box RL with Verifiable Stepwise Rewards for Code Execution Reasoning

Code LLMs still struggle with code execution reasoning, especially in smaller models. Existing methods rely on supervised fine-tuning (SFT) with teacher-generated explanations, primarily in two forms: (1) input-output (I/O) prediction chains and (2) natural-language descriptions of execution traces. However, intermediate execution steps cannot be explicitly verified during SFT, so the training objective can reduce to merely matching teacher explanations. Moreover, training data is typically collected without explicit control over task difficulty. We introduce ExecVerify, which goes beyond text imitation by incorporating verifiable white-box rewards derived from execution traces, including next-statement prediction and variable value/type prediction. Our work first builds a dataset with multiple difficulty levels via constraint-based program synthesis. Then, we apply reinforcement learning (RL) to reward correct answers about both intermediate execution steps and final outputs, aligning the training objective with semantic correctness at each execution step. Finally, we adopt a two-stage training pipeline that first enhances execution reasoning and then transfers to code generation. Experiments demonstrate that a 7B model trained with ExecVerify achieves performance comparable to 32B models on code reasoning benchmarks and improves pass@1 by up to 5.9\% on code generation tasks over strong post-training baselines.

  • 7 authors
·
Mar 10

Test-Time Training with Next-Token Prediction

Next-token prediction is the self-supervised signal that trains language models, and every observed prompt token provides the same signal at test time. We study whether this signal can define the inner-loop objective for test-time training (TTT) in pretrained long-context language models. Many TTT architectures require models to be trained with test-time adaptation in mind, limiting their direct applicability to released LLM checkpoints. While recent in-place TTT methods make fast-weight adaptation possible for pretrained LLMs without redesigning the backbone, they leave a central question unresolved: what should each test-time write store? Existing recipes train the fast weight to match a learned local value proxy but they are not directly tied to the self-supervised next-token prediction signal. We introduce Test-Time Training with Next-Token Prediction (TTT-NTP), a drop-in fast-weight adaptation method for pretrained LLMs that instead supervises updates using the model's own next contextual hidden state. This makes each local write follow the same causal computation that supports next-token prediction: the value target is a pointwise linear projection of a single next-position contextual state. On RULER Full-13 (averaged over 4k, 8k, 16k, and 32k context lengths), TTT-NTP is the only method that consistently improves the released backbone across four models spanning three families and a 0.6--8B size range: Llama-3.1-8B (+3.9), Mistral-7B-v0.3 (+3.0), and the Qwen3 series (Qwen3-4B +4.1, Qwen3-0.6B +2.9). On the real-world LongBench-v2 long-document QA benchmark, TTT-NTP improves over the base model on both Llama-3.1-8B (+5.6) and Mistral-7B-v0.3 (+3.7), while preserving commonsense and knowledge performance.

  • 3 authors
·
Jun 18 1

Fast-WAM: Do World Action Models Need Test-time Future Imagination?

World Action Models (WAMs) have emerged as a promising alternative to Vision-Language-Action (VLA) models for embodied control because they explicitly model how visual observations may evolve under action. Most existing WAMs follow an imagine-then-execute paradigm, incurring substantial test-time latency from iterative video denoising, yet it remains unclear whether explicit future imagination is actually necessary for strong action performance. In this paper, we ask whether WAMs need explicit future imagination at test time, or whether their benefit comes primarily from video modeling during training. We disentangle the role of video modeling during training from explicit future generation during inference by proposing Fast-WAM, a WAM architecture that retains video co-training during training but skips future prediction at test time. We further instantiate several Fast-WAM variants to enable a controlled comparison of these two factors. Across these variants, we find that Fast-WAM remains competitive with imagine-then-execute variants, while removing video co-training causes a much larger performance drop. Empirically, Fast-WAM achieves competitive results with state-of-the-art methods both on simulation benchmarks (LIBERO and RoboTwin) and real-world tasks, without embodied pretraining. It runs in real time with 190ms latency, over 4times faster than existing imagine-then-execute WAMs. These results suggest that the main value of video prediction in WAMs may lie in improving world representations during training rather than generating future observations at test time. Project page: https://yuantianyuan01.github.io/FastWAM/

  • 4 authors
·
Mar 17 1

Competence-Gated Pooling of Language Models and Priors for Event Forecasting

In hybrid forecasting, a language model is often one of several available signals. A system may already have a market, crowd, or statistical forecast and must decide whether the model adds useful information or should be ignored. The relevant target is therefore not standalone model accuracy, but relative competence, defined as the model's marginal value beyond the available external forecast. Under Brier loss, we characterize when model disagreement can improve an external forecast and derive the gain from using domain-specific rather than global pooling weights. We then introduce a competence gate that estimates domain-level source weights from resolved outcomes, shrinks uncertain estimates toward a global weight, and recalibrates the pooled forecast. Across 2,357 resolved binary questions and five language models, the gate improves the main external baseline from 0.0771 to 0.0732 Brier and significantly outperforms global forecast combinations. The gain remains significant under leakage controls and against a leakage-safe time-series prior on the pooled structured set, with separate evidence on FRED. In contrast, the gate gives no significant improvement on the official ForecastBench market subset, where it largely defers to the market. Across four Qwen models, verbal confidence does not reliably identify when the model outperforms the external forecast, while outcome-estimated competence supports better abstention decisions. These results provide a practical approach for selective model use based on measured marginal value.

Real-Time Prediction of Gas Flow Dynamics in Diesel Engines using a Deep Neural Operator Framework

We develop a data-driven deep neural operator framework to approximate multiple output states for a diesel engine and generate real-time predictions with reasonable accuracy. As emission norms become more stringent, the need for fast and accurate models that enable analysis of system behavior have become an essential requirement for system development. The fast transient processes involved in the operation of a combustion engine make it difficult to develop accurate physics-based models for such systems. As an alternative to physics based models, we develop an operator-based regression model (DeepONet) to learn the relevant output states for a mean-value gas flow engine model using the engine operating conditions as input variables. We have adopted a mean-value model as a benchmark for comparison, simulated using Simulink. The developed approach necessitates using the initial conditions of the output states to predict the accurate sequence over the temporal domain. To this end, a sequence-to-sequence approach is embedded into the proposed framework. The accuracy of the model is evaluated by comparing the prediction output to ground truth generated from Simulink model. The maximum mathcal L_2 relative error observed was approximately 6.5%. The sensitivity of the DeepONet model is evaluated under simulated noise conditions and the model shows relatively low sensitivity to noise. The uncertainty in model prediction is further assessed by using a mean ensemble approach. The worst-case error at the (mu + 2sigma) boundary was found to be 12%. The proposed framework provides the ability to predict output states in real-time and enables data-driven learning of complex input-output operator mapping. As a result, this model can be applied during initial development stages, where accurate models may not be available.

  • 4 authors
·
Apr 2, 2023

Fire Together Wire Together: A Dynamic Pruning Approach with Self-Supervised Mask Prediction

Dynamic model pruning is a recent direction that allows for the inference of a different sub-network for each input sample during deployment. However, current dynamic methods rely on learning a continuous channel gating through regularization by inducing sparsity loss. This formulation introduces complexity in balancing different losses (e.g task loss, regularization loss). In addition, regularization based methods lack transparent tradeoff hyperparameter selection to realize a computational budget. Our contribution is two-fold: 1) decoupled task and pruning losses. 2) Simple hyperparameter selection that enables FLOPs reduction estimation before training. Inspired by the Hebbian theory in Neuroscience: "neurons that fire together wire together", we propose to predict a mask to process k filters in a layer based on the activation of its previous layer. We pose the problem as a self-supervised binary classification problem. Each mask predictor module is trained to predict if the log-likelihood for each filter in the current layer belongs to the top-k activated filters. The value k is dynamically estimated for each input based on a novel criterion using the mass of heatmaps. We show experiments on several neural architectures, such as VGG, ResNet and MobileNet on CIFAR and ImageNet datasets. On CIFAR, we reach similar accuracy to SOTA methods with 15% and 24% higher FLOPs reduction. Similarly in ImageNet, we achieve lower drop in accuracy with up to 13% improvement in FLOPs reduction.

  • 4 authors
·
Oct 15, 2021

Enhancing End Stage Renal Disease Outcome Prediction: A Multi-Sourced Data-Driven Approach

Objective: To improve prediction of Chronic Kidney Disease (CKD) progression to End Stage Renal Disease (ESRD) using machine learning (ML) and deep learning (DL) models applied to an integrated clinical and claims dataset of varying observation windows, supported by explainable AI (XAI) to enhance interpretability and reduce bias. Materials and Methods: We utilized data about 10,326 CKD patients, combining their clinical and claims information from 2009 to 2018. Following data preprocessing, cohort identification, and feature engineering, we evaluated multiple statistical, ML and DL models using data extracted from five distinct observation windows. Feature importance and Shapley value analysis were employed to understand key predictors. Models were tested for robustness, clinical relevance, misclassification errors and bias issues. Results: Integrated data models outperformed those using single data sources, with the Long Short-Term Memory (LSTM) model achieving the highest AUC (0.93) and F1 score (0.65). A 24-month observation window was identified as optimal for balancing early detection and prediction accuracy. The 2021 eGFR equation improved prediction accuracy and reduced racial bias, notably for African American patients. Discussion: Improved ESRD prediction accuracy, results interpretability and bias mitigation strategies presented in this study have the potential to significantly enhance CKD and ESRD management, support targeted early interventions and reduce healthcare disparities. Conclusion: This study presents a robust framework for predicting ESRD outcomes in CKD patients, improving clinical decision-making and patient care through multi-sourced, integrated data and AI/ML methods. Future research will expand data integration and explore the application of this framework to other chronic diseases.

  • 2 authors
·
Oct 1, 2024

Value-Based Pre-Training with Downstream Feedback

Can a small amount of verified goal information steer the expensive self-supervised pretraining of foundation models? Standard pretraining optimizes a fixed proxy objective (e.g., next-token prediction), which can misallocate compute away from downstream capabilities of interest. We introduce V-Pretraining: a value-based, modality-agnostic method for controlled continued pretraining in which a lightweight task designer reshapes the pretraining task to maximize the value of each gradient step. For example, consider self-supervised learning (SSL) with sample augmentation. The V-Pretraining task designer selects pretraining tasks (e.g., augmentations) for which the pretraining loss gradient is aligned with a gradient computed over a downstream task (e.g., image segmentation). This helps steer pretraining towards relevant downstream capabilities. Notably, the pretrained model is never updated on downstream task labels; they are used only to shape the pretraining task. Under matched learner update budgets, V-Pretraining of 0.5B--7B language models improves reasoning (GSM8K test Pass@1) by up to 18% relative over standard next-token prediction using only 12% of GSM8K training examples as feedback. In vision SSL, we improve the state-of-the-art results on ADE20K by up to 1.07 mIoU and reduce NYUv2 RMSE while improving ImageNet linear accuracy, and we provide pilot evidence of improved token efficiency in continued pretraining.

Generative Regression Based Watch Time Prediction for Short-Video Recommendation

Watch time prediction (WTP) has emerged as a pivotal task in short video recommendation systems, designed to quantify user engagement through continuous interaction modeling. Predicting users' watch times on videos often encounters fundamental challenges, including wide value ranges and imbalanced data distributions, which can lead to significant estimation bias when directly applying regression techniques. Recent studies have attempted to address these issues by converting the continuous watch time estimation into an ordinal regression task. While these methods demonstrate partial effectiveness, they exhibit notable limitations: (1) the discretization process frequently relies on bucket partitioning, inherently reducing prediction flexibility and accuracy and (2) the interdependencies among different partition intervals remain underutilized, missing opportunities for effective error correction. Inspired by language modeling paradigms, we propose a novel Generative Regression (GR) framework that reformulates WTP as a sequence generation task. Our approach employs structural discretization to enable nearly lossless value reconstruction while maintaining prediction fidelity. Through carefully designed vocabulary construction and label encoding schemes, each watch time is bijectively mapped to a token sequence. To mitigate the training-inference discrepancy caused by teacher-forcing, we introduce a curriculum learning with embedding mixup strategy that gradually transitions from guided to free-generation modes. We evaluate our method against state-of-the-art approaches on two public datasets and one industrial dataset. We also perform online A/B testing on the Kuaishou App to confirm the real-world effectiveness. The results conclusively show that GR outperforms existing techniques significantly.

  • 9 authors
·
Dec 28, 2024

Dextr: Zero-Shot Neural Architecture Search with Singular Value Decomposition and Extrinsic Curvature

Zero-shot Neural Architecture Search (NAS) typically optimises the architecture search process by exploiting the network or gradient properties at initialisation through zero-cost proxies. The existing proxies often rely on labelled data, which is usually unavailable in real-world settings. Furthermore, the majority of the current methods focus either on optimising the convergence and generalisation attributes or solely on the expressivity of the network architectures. To address both limitations, we first demonstrate how channel collinearity affects the convergence and generalisation properties of a neural network. Then, by incorporating the convergence, generalisation and expressivity in one approach, we propose a zero-cost proxy that omits the requirement of labelled data for its computation. In particular, we leverage the Singular Value Decomposition (SVD) of the neural network layer features and the extrinsic curvature of the network output to design our proxy. %As a result, the proposed proxy is formulated as the simplified harmonic mean of the logarithms of two key components: the sum of the inverse of the feature condition number and the extrinsic curvature of the network output. Our approach enables accurate prediction of network performance on test data using only a single label-free data sample. Our extensive evaluation includes a total of six experiments, including the Convolutional Neural Network (CNN) search space, i.e. DARTS and the Transformer search space, i.e. AutoFormer. The proposed proxy demonstrates a superior performance on multiple correlation benchmarks, including NAS-Bench-101, NAS-Bench-201, and TransNAS-Bench-101-micro; as well as on the NAS task within the DARTS and the AutoFormer search space, all while being notably efficient. The code is available at https://github.com/rohanasthana/Dextr.

  • 4 authors
·
Aug 18, 2025

Uncertainty quantification for improving radiomic-based models in radiation pneumonitis prediction

Background and Objective: Radiation pneumonitis (RP) is a side effect of thoracic radiation therapy. Recently, Machine learning (ML) models enhanced with radiomic and dosiomic features provide better predictions by incorporating spatial information beyond DVHs. However, to improve the clinical decision process, we propose to use uncertainty quantification (UQ) to improve the confidence in model prediction. This study evaluates the impact of post hoc UQ methods on the discriminative performance and calibration of ML models for RP prediction. Methods: This study evaluated four ML models: logistic regression (LR), support vector machines (SVM), extreme gradient boosting (XGB), and random forest (RF), using radiomic, dosiomic, and dosimetric features to predict RP. We applied UQ methods, including Patt scaling, isotonic regression, Venn-ABERS predictor, and Conformal Prediction, to quantify uncertainty. Model performance was assessed through Area Under the Receiver Operating Characteristic curve (AUROC), Area Under the Precision-Recall Curve (AUPRC), and Adaptive Calibration Error (ACE) using Leave-One-Out Cross-Validation (LOO-CV). Results: UQ methods enhanced predictive performance, particularly for high-certainty predictions, while also improving calibration. Radiomic and dosiomic features increased model accuracy but introduced calibration challenges, especially for non-linear models like XGB and RF. Performance gains from UQ methods were most noticeable at higher certainty thresholds. Conclusion: Integrating UQ into ML models with radiomic and dosiomic features improves both predictive accuracy and calibration, supporting more reliable clinical decision-making. The findings emphasize the value of UQ methods in enhancing applicability of predictive models for RP in healthcare settings.

  • 3 authors
·
Dec 27, 2024

Conformal Prediction Intervals for Remaining Useful Lifetime Estimation

The main objective of Prognostics and Health Management is to estimate the Remaining Useful Lifetime (RUL), namely, the time that a system or a piece of equipment is still in working order before starting to function incorrectly. In recent years, numerous machine learning algorithms have been proposed for RUL estimation, mainly focusing on providing more accurate RUL predictions. However, there are many sources of uncertainty in the problem, such as inherent randomness of systems failure, lack of knowledge regarding their future states, and inaccuracy of the underlying predictive models, making it infeasible to predict the RULs precisely. Hence, it is of utmost importance to quantify the uncertainty alongside the RUL predictions. In this work, we investigate the conformal prediction (CP) framework that represents uncertainty by predicting sets of possible values for the target variable (intervals in the case of RUL) instead of making point predictions. Under very mild technical assumptions, CP formally guarantees that the actual value (true RUL) is covered by the predicted set with a degree of certainty that can be prespecified. We study three CP algorithms to conformalize any single-point RUL predictor and turn it into a valid interval predictor. Finally, we conformalize two single-point RUL predictors, deep convolutional neural networks and gradient boosting, and illustrate their performance on the Commercial Modular Aero-Propulsion System Simulation (C-MAPSS) data sets.

  • 2 authors
·
Dec 29, 2022

Prediction of the Position of External Markers Using a Recurrent Neural Network Trained With Unbiased Online Recurrent Optimization for Safe Lung Cancer Radiotherapy

During lung radiotherapy, the position of infrared reflective objects on the chest can be recorded to estimate the tumor location. However, radiotherapy systems have a latency inherent to robot control limitations that impedes the radiation delivery precision. Prediction with online learning of recurrent neural networks (RNN) allows for adaptation to non-stationary respiratory signals, but classical methods such as RTRL and truncated BPTT are respectively slow and biased. This study investigates the capabilities of unbiased online recurrent optimization (UORO) to forecast respiratory motion and enhance safety in lung radiotherapy. We used 9 observation records of the 3D position of 3 external markers on the chest and abdomen of healthy individuals breathing during intervals from 73s to 222s. The sampling frequency was 10Hz, and the amplitudes of the recorded trajectories range from 6mm to 40mm in the superior-inferior direction. We forecast the 3D location of each marker simultaneously with a horizon value between 0.1s and 2.0s, using an RNN trained with UORO. We compare its performance with an RNN trained with RTRL, LMS, and offline linear regression. We provide closed-form expressions for quantities involved in the loss gradient calculation in UORO, thereby making its implementation efficient. Training and cross-validation were performed during the first minute of each sequence. On average over the horizon values considered and the 9 sequences, UORO achieves the lowest root-mean-square (RMS) error and maximum error among the compared algorithms. These errors are respectively equal to 1.3mm and 8.8mm, and the prediction time per time step was lower than 2.8ms (Dell Intel core i9-9900K 3.60 GHz). Linear regression has the lowest RMS error for the horizon values 0.1s and 0.2s, followed by LMS for horizon values between 0.3s and 0.5s, and UORO for horizon values greater than 0.6s.

  • 5 authors
·
Jun 2, 2021

One Future, Every Robot: Label-Efficient Collective-State Prediction with Decentralized JEPA

Can every robot in a swarm predict the same future collective state from only local observations and bandwidth-limited messages? We formulate this as decentralized shared-state prediction and introduce Collective-State JEPA (CS-JEPA), a recurrent joint-embedding predictive architecture whose output at every robot represents one common future token field. At deployment, each robot uses a 16-frame local history and one 64-float recurrent message per directed edge; there is no global pooling, target encoder, episode clock, or recorded future action. After pretraining without downstream collective labels, frozen representations are evaluated with ridge probes fitted on 6, 12, or 24 globally labeled episodes. Against raw-future reconstruction with the same receiver anchor and deployment capacity but 9,607 additional training-only parameters, a prospectively registered five-seed follow-up improves prediction-error and inter-robot-agreement label-budget AUC on in-distribution, ring, mutual-kNN, and unseen-size families up to 108 robots. Every effect favors CS-JEPA in 5/5 outer seeds. In a separate sealed eight-seed follow-up, matched action-conditioned predictors receive each candidate four-step plan before producing receiver-local predictive representations. CS-JEPA reduces branch-value MSE by 45.5% and improves within-context candidate-score Pearson correlation by 0.1291, with both effects favorable in 8/8 seeds, including at unseen N=32. These results support common-future JEPA targets as a label-efficient primitive for decentralized swarm prediction under topology and size shift, with additional evidence of planning-relevant value estimation.

Site-Level Fine-Tuning with Progressive Layer Freezing: Towards Robust Prediction of Bronchopulmonary Dysplasia from Day-1 Chest Radiographs in Extremely Preterm Infants

Bronchopulmonary dysplasia (BPD) is a chronic lung disease affecting 35% of extremely low birth weight infants. Defined by oxygen dependence at 36 weeks postmenstrual age, it causes lifelong respiratory complications. However, preventive interventions carry severe risks, including neurodevelopmental impairment, ventilator-induced lung injury, and systemic complications. Therefore, early BPD prognosis and prediction of BPD outcome is crucial to avoid unnecessary toxicity in low risk infants. Admission radiographs of extremely preterm infants are routinely acquired within 24h of life and could serve as a non-invasive prognostic tool. In this work, we developed and investigated a deep learning approach using chest X-rays from 163 extremely low-birth-weight infants (leq32 weeks gestation, 401-999g) obtained within 24 hours of birth. We fine-tuned a ResNet-50 pretrained specifically on adult chest radiographs, employing progressive layer freezing with discriminative learning rates to prevent overfitting and evaluated a CutMix augmentation and linear probing. For moderate/severe BPD outcome prediction, our best performing model with progressive freezing, linear probing and CutMix achieved an AUROC of 0.78 pm 0.10, balanced accuracy of 0.69 pm 0.10, and an F1-score of 0.67 pm 0.11. In-domain pre-training significantly outperformed ImageNet initialization (p = 0.031) which confirms domain-specific pretraining to be important for BPD outcome prediction. Routine IRDS grades showed limited prognostic value (AUROC 0.57 pm 0.11), confirming the need of learned markers. Our approach demonstrates that domain-specific pretraining enables accurate BPD prediction from routine day-1 radiographs. Through progressive freezing and linear probing, the method remains computationally feasible for site-level implementation and future federated learning deployments.

  • 16 authors
·
Jul 16, 2025

Steering Geometry: Validating Human Value Geometry in LLM Steering Space

As large language models (LLMs) are increasingly deployed in alignment-sensitive contexts, activation steering has emerged as a lightweight, inference-time alternative to fine-tuning methods (e.g., RLHF, DPO) for behavioral control. However, existing work typically validates steering on isolated behaviors, leaving it unclear whether steering vectors encode coherent semantic structure or merely exploit behavior-specific shortcuts. We investigate whether the latent geometry of LLM steering vectors reflects theory-specified structure in human values and morality. Using Schwartz's Theory of Basic Human Values as our primary fine-grained framework, we introduce a 26K-sample benchmark covering 20 human values and analyze distribution-driven methods (e.g., CAA, SphericalSteer, ODESteer) and behavior-centric approaches (e.g., COLD-Steer, BiPO) across diverse model families and sizes. We find that distribution-driven methods recover human value topologies aligned with theoretical predictions (Spearman ρ up to 0.51, p < 10^{-13}). In contrast, behavior-centric methods achieve comparable steering performance but show little correlation with the expected value geometry. Geometric fidelity improves with model scale but drops after instruction tuning. Finally, better geometric alignment also leads to more human-consistent transfer across values: steering one value correctly lifts compatible values and suppresses opposing ones. Code and data are available at: https://github.com/DeepRCL/Steering_Geometry.

DeepRCL DeepRCL
·
Sep 4 4

COVID-BLUeS -- A Prospective Study on the Value of AI in Lung Ultrasound Analysis

As a lightweight and non-invasive imaging technique, lung ultrasound (LUS) has gained importance for assessing lung pathologies. The use of Artificial intelligence (AI) in medical decision support systems is promising due to the time- and expertise-intensive interpretation, however, due to the poor quality of existing data used for training AI models, their usability for real-world applications remains unclear. In a prospective study, we analyze data from 63 COVID-19 suspects (33 positive) collected at Maastricht University Medical Centre. Ultrasound recordings at six body locations were acquired following the BLUE protocol and manually labeled for severity of lung involvement. Several AI models were applied and trained for detection and severity of pulmonary infection. The severity of the lung infection, as assigned by human annotators based on the LUS videos, is not significantly different between COVID-19 positive and negative patients (p = 0.89). Nevertheless, the predictions of image-based AI models identify a COVID-19 infection with 65% accuracy when applied zero-shot (i.e., trained on other datasets), and up to 79% with targeted training, whereas the accuracy based on human annotations is at most 65%. Multi-modal models combining images and CBC improve significantly over image-only models. Although our analysis generally supports the value of AI in LUS assessment, the evaluated models fall short of the performance expected from previous work. We find this is due to 1) the heterogeneity of LUS datasets, limiting the generalization ability to new data, 2) the frame-based processing of AI models ignoring video-level information, and 3) lack of work on multi-modal models that can extract the most relevant information from video-, image- and variable-based inputs. To aid future research, we publish the dataset at: https://github.com/NinaWie/COVID-BLUES.

  • 13 authors
·
Sep 9, 2025

Value Gradient weighted Model-Based Reinforcement Learning

Model-based reinforcement learning (MBRL) is a sample efficient technique to obtain control policies, yet unavoidable modeling errors often lead performance deterioration. The model in MBRL is often solely fitted to reconstruct dynamics, state observations in particular, while the impact of model error on the policy is not captured by the training objective. This leads to a mismatch between the intended goal of MBRL, enabling good policy and value learning, and the target of the loss function employed in practice, future state prediction. Naive intuition would suggest that value-aware model learning would fix this problem and, indeed, several solutions to this objective mismatch problem have been proposed based on theoretical analysis. However, they tend to be inferior in practice to commonly used maximum likelihood (MLE) based approaches. In this paper we propose the Value-gradient weighted Model Learning (VaGraM), a novel method for value-aware model learning which improves the performance of MBRL in challenging settings, such as small model capacity and the presence of distracting state dimensions. We analyze both MLE and value-aware approaches and demonstrate how they fail to account for exploration and the behavior of function approximation when learning value-aware models and highlight the additional goals that must be met to stabilize optimization in the deep learning setting. We verify our analysis by showing that our loss function is able to achieve high returns on the Mujoco benchmark suite while being more robust than maximum likelihood based approaches.

  • 4 authors
·
Apr 4, 2022

Self-Pruned Key-Value Attention: Learning When to Write by Predicting Future Utility

Under modern test-time compute and agentic paradigms, language models process ever-longer sequences. Efficient text generation with transformer architectures is increasingly constrained by the Key-Value cache memory footprint and bandwidth. To address this limitation, we introduce Self-Pruned Key-Value Attention (SP-KV), a mechanism designed to predict future KV utility in order to reduce the size of the long-term KV cache. This strategy operates at a fine granularity: a lightweight utility predictor scores each key-value pair, and while recent KVs are always available via a local window, older pairs are written in the cache and used in global attention only if their predicted utility surpasses a given threshold. The LLM and the utility predictor are trained jointly end-to-end exclusively through next-token prediction loss, and are adapted from pretrained LLM checkpoints. Rather than enforcing a fixed compression ratio, SP-KV performs dynamic sparsification: the mechanism adapts to the input and typically reduces the KV cache size by a factor of 3 to 10times, longer sequences often being more compressible. This leads to vast improvements in memory usage and decoding speed, with little to no degradation of validation loss nor performance on a broad set of downstream tasks. Beyond serving as an effective KV-cache reduction mechanism, our method reveals structured layer- and head-specific sparsity patterns that we can use to guide the design of hybrid local-global attention architectures.

  • 8 authors
·
May 12

Stock Price Prediction Using Machine Learning and LSTM-Based Deep Learning Models

Prediction of stock prices has been an important area of research for a long time. While supporters of the efficient market hypothesis believe that it is impossible to predict stock prices accurately, there are formal propositions demonstrating that accurate modeling and designing of appropriate variables may lead to models using which stock prices and stock price movement patterns can be very accurately predicted. In this work, we propose an approach of hybrid modeling for stock price prediction building different machine learning and deep learning-based models. For the purpose of our study, we have used NIFTY 50 index values of the National Stock Exchange (NSE) of India, during the period December 29, 2014 till July 31, 2020. We have built eight regression models using the training data that consisted of NIFTY 50 index records during December 29, 2014 till December 28, 2018. Using these regression models, we predicted the open values of NIFTY 50 for the period December 31, 2018 till July 31, 2020. We, then, augment the predictive power of our forecasting framework by building four deep learning-based regression models using long-and short-term memory (LSTM) networks with a novel approach of walk-forward validation. We exploit the power of LSTM regression models in forecasting the future NIFTY 50 open values using four different models that differ in their architecture and in the structure of their input data. Extensive results are presented on various metrics for the all the regression models. The results clearly indicate that the LSTM-based univariate model that uses one-week prior data as input for predicting the next week open value of the NIFTY 50 time series is the most accurate model.

  • 3 authors
·
Sep 20, 2020

Stock Price Prediction Using Convolutional Neural Networks on a Multivariate Timeseries

Prediction of future movement of stock prices has been a subject matter of many research work. In this work, we propose a hybrid approach for stock price prediction using machine learning and deep learning-based methods. We select the NIFTY 50 index values of the National Stock Exchange of India, over a period of four years, from January 2015 till December 2019. Based on the NIFTY data during the said period, we build various predictive models using machine learning approaches, and then use those models to predict the Close value of NIFTY 50 for the year 2019, with a forecast horizon of one week. For predicting the NIFTY index movement patterns, we use a number of classification methods, while for forecasting the actual Close values of NIFTY index, various regression models are built. We, then, augment our predictive power of the models by building a deep learning-based regression model using Convolutional Neural Network with a walk-forward validation. The CNN model is fine-tuned for its parameters so that the validation loss stabilizes with increasing number of iterations, and the training and validation accuracies converge. We exploit the power of CNN in forecasting the future NIFTY index values using three approaches which differ in number of variables used in forecasting, number of sub-models used in the overall models and, size of the input data for training the models. Extensive results are presented on various metrics for all classification and regression models. The results clearly indicate that CNN-based multivariate forecasting model is the most effective and accurate in predicting the movement of NIFTY index values with a weekly forecast horizon.

  • 2 authors
·
Jan 9, 2020

Modeling Cascaded Delay Feedback for Online Net Conversion Rate Prediction: Benchmark, Insights and Solutions

In industrial recommender systems, conversion rate (CVR) is widely used for traffic allocation, but it fails to fully reflect recommendation effectiveness because it ignores refund behavior. To better capture true user satisfaction and business value, net conversion rate (NetCVR), defined as the probability that a clicked item is purchased and not refunded, has been proposed.Unlike CVR, NetCVR prediction involves a more complex multi-stage cascaded delayed feedback process. The two cascaded delays from click to conversion and from conversion to refund have opposite effects, making traditional CVR modeling methods inapplicable. Moreover, the lack of open-source datasets and online continuous training schemes further hinders progress in this area.To address these challenges, we introduce CASCADE (Cascaded Sequences of Conversion and Delayed Refund), the first large-scale open dataset derived from the Taobao app for online continuous NetCVR prediction. Through an in-depth analysis of CASCADE, we identify three key insights: (1) NetCVR exhibits strong temporal dynamics, necessitating online continuous modeling; (2) cascaded modeling of CVR and refund rate outperforms direct NetCVR modeling; and (3) delay time, which correlates with both CVR and refund rate, is an important feature for NetCVR prediction.Based on these insights, we propose TESLA, a continuous NetCVR modeling framework featuring a CVR-refund-rate cascaded architecture, stage-wise debiasing, and a delay-time-aware ranking loss. Extensive experiments demonstrate that TESLA consistently outperforms state-of-the-art methods on CASCADE, achieving absolute improvements of 12.41 percent in RI-AUC and 14.94 percent in RI-PRAUC on NetCVR prediction. The code and dataset are publicly available at https://github.com/alimama-tech/NetCVR.

  • 11 authors
·
Jan 27

Stealing Machine Learning Models via Prediction APIs

Machine learning (ML) models may be deemed confidential due to their sensitive training data, commercial value, or use in security applications. Increasingly often, confidential ML models are being deployed with publicly accessible query interfaces. ML-as-a-service ("predictive analytics") systems are an example: Some allow users to train models on potentially sensitive data and charge others for access on a pay-per-query basis. The tension between model confidentiality and public access motivates our investigation of model extraction attacks. In such attacks, an adversary with black-box access, but no prior knowledge of an ML model's parameters or training data, aims to duplicate the functionality of (i.e., "steal") the model. Unlike in classical learning theory settings, ML-as-a-service offerings may accept partial feature vectors as inputs and include confidence values with predictions. Given these practices, we show simple, efficient attacks that extract target ML models with near-perfect fidelity for popular model classes including logistic regression, neural networks, and decision trees. We demonstrate these attacks against the online services of BigML and Amazon Machine Learning. We further show that the natural countermeasure of omitting confidence values from model outputs still admits potentially harmful model extraction attacks. Our results highlight the need for careful ML model deployment and new model extraction countermeasures.

  • 5 authors
·
Oct 2, 2016

A 2.4% Determination of the Local Value of the Hubble Constant

We use the Wide Field Camera 3 (WFC3) on the Hubble Space Telescope (HST) to reduce the uncertainty in the local value of the Hubble constant (H_0) from 3.3% to 2.4%. Improvements come from new, near-infrared observations of Cepheid variables in 11 new hosts of recent SNe~Ia, more than doubling the sample of SNe~Ia having a Cepheid-calibrated distance for a total of 19; these leverage the magnitude-z relation based on 300 SNe~Ia at z<0.15. All 19 hosts and the megamaser system NGC4258 were observed with WFC3, thus nullifying cross-instrument zeropoint errors. Other improvements include a 33% reduction in the systematic uncertainty in the maser distance to NGC4258, more Cepheids and a more robust distance to the LMC from late-type DEBs, HST observations of Cepheids in M31, and new HST-based trigonometric parallaxes for Milky Way (MW) Cepheids. We consider four geometric distance calibrations of Cepheids: (i) megamasers in NGC4258, (ii) 8 DEBs in the LMC, (iii) 15 MW Cepheids with parallaxes, and (iv) 2 DEBs in M31. H_0 from each is 72.25+/-2.51, 72.04+/-2.67, 76.18+/-2.37, and 74.50+/-3.27 km/sec/Mpc, respectively. Our best estimate of 73.24+/-1.74 km/sec/Mpc combines the anchors NGC4258, MW, and LMC, and includes systematic errors for a final uncertainty of 2.4%. This value is 3.4 sigma higher than 66.93+/-0.62 km/sec/Mpc predicted by LambdaCDM with 3 neutrinos with mass 0.06 eV and the Planck data, but reduces to 2.1 sigma relative to the prediction of 69.3+/-0.7 km/sec/Mpc with the combination of WMAP+ACT+SPT+BAO, suggesting systematic uncertainties in CMB measurements may play a role in the tension. If we take the conflict between Planck and H_0 at face value, one plausible explanation could involve an additional source of dark radiation in the early Universe in the range of Delta N_eff=0.4-1. We anticipate significant improvements in H_0 from upcoming parallax measurements.

  • 15 authors
·
Apr 5, 2016

Retrosynthetic Planning with Dual Value Networks

Retrosynthesis, which aims to find a route to synthesize a target molecule from commercially available starting materials, is a critical task in drug discovery and materials design. Recently, the combination of ML-based single-step reaction predictors with multi-step planners has led to promising results. However, the single-step predictors are mostly trained offline to optimize the single-step accuracy, without considering complete routes. Here, we leverage reinforcement learning (RL) to improve the single-step predictor, by using a tree-shaped MDP to optimize complete routes. Specifically, we propose a novel online training algorithm, called Planning with Dual Value Networks (PDVN), which alternates between the planning phase and updating phase. In PDVN, we construct two separate value networks to predict the synthesizability and cost of molecules, respectively. To maintain the single-step accuracy, we design a two-branch network structure for the single-step predictor. On the widely-used USPTO dataset, our PDVN algorithm improves the search success rate of existing multi-step planners (e.g., increasing the success rate from 85.79% to 98.95% for Retro*, and reducing the number of model calls by half while solving 99.47% molecules for RetroGraph). Additionally, PDVN helps find shorter synthesis routes (e.g., reducing the average route length from 5.76 to 4.83 for Retro*, and from 5.63 to 4.78 for RetroGraph).

  • 10 authors
·
Jan 31, 2023

Transformers for molecular property prediction: Domain adaptation efficiently improves performance

Most of the current transformer-based chemical language models are pre-trained on millions to billions of molecules. However, the improvement from such scaling in dataset size is not confidently linked to improved molecular property prediction. The aim of this study is to investigate and overcome some of the limitations of transformer models in predicting molecular properties. Specifically, we examine the impact of pre-training dataset size and diversity on the performance of transformer models and investigate the use of domain adaptation as a technique for improving model performance. First, our findings indicate that increasing pretraining dataset size beyond 400K molecules from the GuacaMol dataset does not result in a significant improvement on four ADME endpoints, namely, solubility, permeability, microsomal stability, and plasma protein binding. Second, our results demonstrate that using domain adaptation by further training the transformer model on a small set of domain-relevant molecules, i.e., a few hundred to a few thousand, using multi-task regression of physicochemical properties was sufficient to significantly improve performance for three out of the four investigated ADME endpoints (P-value < 0.001). Finally, we observe that a model pre-trained on 400K molecules and domain adopted on a few hundred/thousand molecules performs similarly (P-value > 0.05) to more complicated transformer models like MolBERT(pre-trained on 1.3M molecules) and MolFormer (pre-trained on 100M molecules). A comparison to a random forest model trained on basic physicochemical properties showed similar performance to the examined transformer models. We believe that current transformer models can be improved through further systematic analysis of pre-training and downstream data, pre-training objectives, and scaling laws, ultimately leading to better and more helpful models.

  • 6 authors
·
Mar 5, 2025

Multi-Label Zero-Shot Product Attribute-Value Extraction

E-commerce platforms should provide detailed product descriptions (attribute values) for effective product search and recommendation. However, attribute value information is typically not available for new products. To predict unseen attribute values, large quantities of labeled training data are needed to train a traditional supervised learning model. Typically, it is difficult, time-consuming, and costly to manually label large quantities of new product profiles. In this paper, we propose a novel method to efficiently and effectively extract unseen attribute values from new products in the absence of labeled data (zero-shot setting). We propose HyperPAVE, a multi-label zero-shot attribute value extraction model that leverages inductive inference in heterogeneous hypergraphs. In particular, our proposed technique constructs heterogeneous hypergraphs to capture complex higher-order relations (i.e. user behavior information) to learn more accurate feature representations for graph nodes. Furthermore, our proposed HyperPAVE model uses an inductive link prediction mechanism to infer future connections between unseen nodes. This enables HyperPAVE to identify new attribute values without the need for labeled training data. We conduct extensive experiments with ablation studies on different categories of the MAVE dataset. The results demonstrate that our proposed HyperPAVE model significantly outperforms existing classification-based, generation-based large language models for attribute value extraction in the zero-shot setting.

  • 2 authors
·
Feb 13, 2024

Adaptive Fusion of Multi-view Remote Sensing data for Optimal Sub-field Crop Yield Prediction

Accurate crop yield prediction is of utmost importance for informed decision-making in agriculture, aiding farmers, and industry stakeholders. However, this task is complex and depends on multiple factors, such as environmental conditions, soil properties, and management practices. Combining heterogeneous data views poses a fusion challenge, like identifying the view-specific contribution to the predictive task. We present a novel multi-view learning approach to predict crop yield for different crops (soybean, wheat, rapeseed) and regions (Argentina, Uruguay, and Germany). Our multi-view input data includes multi-spectral optical images from Sentinel-2 satellites and weather data as dynamic features during the crop growing season, complemented by static features like soil properties and topographic information. To effectively fuse the data, we introduce a Multi-view Gated Fusion (MVGF) model, comprising dedicated view-encoders and a Gated Unit (GU) module. The view-encoders handle the heterogeneity of data sources with varying temporal resolutions by learning a view-specific representation. These representations are adaptively fused via a weighted sum. The fusion weights are computed for each sample by the GU using a concatenation of the view-representations. The MVGF model is trained at sub-field level with 10 m resolution pixels. Our evaluations show that the MVGF outperforms conventional models on the same task, achieving the best results by incorporating all the data sources, unlike the usual fusion results in the literature. For Argentina, the MVGF model achieves an R2 value of 0.68 at sub-field yield prediction, while at field level evaluation (comparing field averages), it reaches around 0.80 across different countries. The GU module learned different weights based on the country and crop-type, aligning with the variable significance of each data source to the prediction task.

  • 14 authors
·
Jan 22, 2024

Sampling Is All You Need on Modeling Long-Term User Behaviors for CTR Prediction

Rich user behavior data has been proven to be of great value for Click-Through Rate (CTR) prediction applications, especially in industrial recommender, search, or advertising systems. However, it's non-trivial for real-world systems to make full use of long-term user behaviors due to the strict requirements of online serving time. Most previous works adopt the retrieval-based strategy, where a small number of user behaviors are retrieved first for subsequent attention. However, the retrieval-based methods are sub-optimal and would cause more or less information losses, and it's difficult to balance the effectiveness and efficiency of the retrieval algorithm. In this paper, we propose SDIM (Sampling-based Deep Interest Modeling), a simple yet effective sampling-based end-to-end approach for modeling long-term user behaviors. We sample from multiple hash functions to generate hash signatures of the candidate item and each item in the user behavior sequence, and obtain the user interest by directly gathering behavior items associated with the candidate item with the same hash signature. We show theoretically and experimentally that the proposed method performs on par with standard attention-based models on modeling long-term user behaviors, while being sizable times faster. We also introduce the deployment of SDIM in our system. Specifically, we decouple the behavior sequence hashing, which is the most time-consuming part, from the CTR model by designing a separate module named BSE (behavior Sequence Encoding). BSE is latency-free for the CTR server, enabling us to model extremely long user behaviors. Both offline and online experiments are conducted to demonstrate the effectiveness of SDIM. SDIM now has been deployed online in the search system of Meituan APP.

  • 7 authors
·
May 20, 2022

A Novel Predictive-Coding-Inspired Variational RNN Model for Online Prediction and Recognition

This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its latent states. Its architecture attempts to address two major concerns of variational Bayes RNNs: how can latent variables learn meaningful representations and how can the inference model transfer future observations to the latent variables. PV-RNN does both by introducing adaptive vectors mirroring the training data, whose values can then be adapted differently during evaluation. Moreover, prediction errors during backpropagation, rather than external inputs during the forward computation, are used to convey information to the network about the external data. For testing, we introduce error regression for predicting unseen sequences as inspired by predictive coding that leverages those mechanisms. The model introduces a weighting parameter, the meta-prior, to balance the optimization pressure placed on two terms of a lower bound on the marginal likelihood of the sequential data. We test the model on two datasets with probabilistic structures and show that with high values of the meta-prior the network develops deterministic chaos through which the data's randomness is imitated. For low values, the model behaves as a random process. The network performs best on intermediate values, and is able to capture the latent probabilistic structure with good generalization. Analyzing the meta-prior's impact on the network allows to precisely study the theoretical value and practical benefits of incorporating stochastic dynamics in our model. We demonstrate better prediction performance on a robot imitation task with our model using error regression compared to a standard variational Bayes model lacking such a procedure.

  • 2 authors
·
Nov 4, 2018

TailBooster: A Dual-Layer Generative Framework for Extreme Value Augmentation with Operational Validity Enforcement

Extreme events in air transport, such as severe arrival delays and abnormal air times, cause cascading network disruptions with substantial operational, economic, and safety costs. Such events are rare in historical records, leaving insufficient training signal for machine learning models. Synthetic data augmentation offers a principled solution, but conventional generative models under-represent distributional tails and give no guarantee against operationally infeasible instances, such as a short air time paired with a long flight distance. No existing approach addresses both limitations for mixed-type tabular records. We propose TailBooster, a dual-layer generative framework combining generative modelling with two anomaly detection layers. A statistical layer extracts extremes via the interquartile range, supplying tail-concentrated training signal to dedicated generative models, here a Tabular Variational Autoencoder. A deep learning layer then applies autoencoder-based cleaning, discarding synthetic records that violate the operational envelope learned from historical data. The framework was evaluated on US flight records across five dimensions: diversity, statistical similarity, fidelity, operational validity, and utility, the latter two being the primary improvement targets. Data-driven cleaning markedly improved operational validity, while targeted augmentation enhanced utility for extreme-event prediction. Across six regression algorithms, training on the framework's records reduced Mean Absolute Error by 47-49% on extreme air time and 29-57% on extreme arrival delay prediction relative to conventional synthetic data, with comparable gains when real records were enriched with synthetic extremes. Being fully data-driven and model-agnostic, TailBooster extends to domains where extreme-event prediction is critical and domain-specific rules are unavailable.

From Words to Worth: Newborn Article Impact Prediction with LLM

As the academic landscape expands, the challenge of efficiently identifying potentially high-impact articles among the vast number of newly published works becomes critical. This paper introduces a promising approach, leveraging the capabilities of fine-tuned LLMs to predict the future impact of newborn articles solely based on titles and abstracts. Moving beyond traditional methods heavily reliant on external information, the proposed method discerns the shared semantic features of highly impactful papers from a large collection of title-abstract and potential impact pairs. These semantic features are further utilized to regress an improved metric, TNCSI_SP, which has been endowed with value, field, and time normalization properties. Additionally, a comprehensive dataset has been constructed and released for fine-tuning the LLM, containing over 12,000 entries with corresponding titles, abstracts, and TNCSI_SP. The quantitative results, with an NDCG@20 of 0.901, demonstrate that the proposed approach achieves state-of-the-art performance in predicting the impact of newborn articles when compared to competitive counterparts. Finally, we demonstrate a real-world application for predicting the impact of newborn journal articles to demonstrate its noteworthy practical value. Overall, our findings challenge existing paradigms and propose a shift towards a more content-focused prediction of academic impact, offering new insights for assessing newborn article impact.

  • 8 authors
·
Aug 7, 2024

A Robust Predictive Model for Stock Price Prediction Using Deep Learning and Natural Language Processing

Prediction of future movement of stock prices has been a subject matter of many research work. There is a gamut of literature of technical analysis of stock prices where the objective is to identify patterns in stock price movements and derive profit from it. Improving the prediction accuracy remains the single most challenge in this area of research. We propose a hybrid approach for stock price movement prediction using machine learning, deep learning, and natural language processing. We select the NIFTY 50 index values of the National Stock Exchange of India, and collect its daily price movement over a period of three years (2015 to 2017). Based on the data of 2015 to 2017, we build various predictive models using machine learning, and then use those models to predict the closing value of NIFTY 50 for the period January 2018 till June 2019 with a prediction horizon of one week. For predicting the price movement patterns, we use a number of classification techniques, while for predicting the actual closing price of the stock, various regression models have been used. We also build a Long and Short-Term Memory - based deep learning network for predicting the closing price of the stocks and compare the prediction accuracies of the machine learning models with the LSTM model. We further augment the predictive model by integrating a sentiment analysis module on twitter data to correlate the public sentiment of stock prices with the market sentiment. This has been done using twitter sentiment and previous week closing values to predict stock price movement for the next week. We tested our proposed scheme using a cross validation method based on Self Organizing Fuzzy Neural Networks and found extremely interesting results.

  • 2 authors
·
Dec 9, 2019

OccRWKV: Rethinking Efficient 3D Semantic Occupancy Prediction with Linear Complexity

3D semantic occupancy prediction networks have demonstrated remarkable capabilities in reconstructing the geometric and semantic structure of 3D scenes, providing crucial information for robot navigation and autonomous driving systems. However, due to their large overhead from dense network structure designs, existing networks face challenges balancing accuracy and latency. In this paper, we introduce OccRWKV, an efficient semantic occupancy network inspired by Receptance Weighted Key Value (RWKV). OccRWKV separates semantics, occupancy prediction, and feature fusion into distinct branches, each incorporating Sem-RWKV and Geo-RWKV blocks. These blocks are designed to capture long-range dependencies, enabling the network to learn domain-specific representation (i.e., semantics and geometry), which enhances prediction accuracy. Leveraging the sparse nature of real-world 3D occupancy, we reduce computational overhead by projecting features into the bird's-eye view (BEV) space and propose a BEV-RWKV block for efficient feature enhancement and fusion. This enables real-time inference at 22.2 FPS without compromising performance. Experiments demonstrate that OccRWKV outperforms the state-of-the-art methods on the SemanticKITTI dataset, achieving a mIoU of 25.1 while being 20 times faster than the best baseline, Co-Occ, making it suitable for real-time deployment on robots to enhance autonomous navigation efficiency. Code and video are available on our project page: https://jmwang0117.github.io/OccRWKV/.

  • 7 authors
·
Sep 30, 2024

BARS-CTR: Open Benchmarking for Click-Through Rate Prediction

Click-through rate (CTR) prediction is a critical task for many applications, as its accuracy has a direct impact on user experience and platform revenue. In recent years, CTR prediction has been widely studied in both academia and industry, resulting in a wide variety of CTR prediction models. Unfortunately, there is still a lack of standardized benchmarks and uniform evaluation protocols for CTR prediction research. This leads to non-reproducible or even inconsistent experimental results among existing studies, which largely limits the practical value and potential impact of their research. In this work, we aim to perform open benchmarking for CTR prediction and present a rigorous comparison of different models in a reproducible manner. To this end, we ran over 7,000 experiments for more than 12,000 GPU hours in total to re-evaluate 24 existing models on multiple datasets and settings. Surprisingly, our experiments show that with sufficient hyper-parameter search and model tuning, many deep models have smaller differences than expected. The results also reveal that making real progress on the modeling of CTR prediction is indeed a very challenging research task. We believe that our benchmarking work could not only allow researchers to gauge the effectiveness of new models conveniently but also make them fairly compare with the state of the arts. We have publicly released the benchmarking code, evaluation protocols, and hyper-parameter settings of our work to promote reproducible research in this field.

  • 5 authors
·
Sep 12, 2020

Quantifying the Uncertainty of Foundation Models with Singular Value Ensembles

Foundation models have become a dominant paradigm in machine learning, achieving remarkable performance across diverse tasks through large-scale pretraining. However, they often yield overconfident, uncalibrated predictions. The standard approach to quantifying epistemic uncertainty are ensembles of multiple independently trained models. But their computational cost scales linearly with ensemble size, making them impractical for large foundation models. We propose Singular Value Ensemble (SVE), a parameter-efficient implicit ensembling method. SVE builds on a simple, but powerful core assumption: namely, that the singular vectors of the weight matrices correspond to meaningful directions in the representation space. If the singular vectors are indeed meaningful (orthogonal) "knowledge directions", then a model ensemble can be obtained by modulating only how strongly each direction contributes to the output. Rather than learning new parameters for each ensemble member, we freeze the singular vectors and only train per-member singular values that rescale the contribution of each direction in that shared knowledge basis. Ensemble diversity emerges naturally during joint training as stochastic initialization and random batch sampling cause different members to converge to different combinations of the same underlying knowledge. SVE performs comparable to an explicit ensemble, while increasing the parameter count of the base model by <1%, making principled uncertainty estimation accessible in resource-constrained settings. We validate SVE on NLP and vision tasks with various different backbones and show that it improves calibration while maintaining predictive accuracy.

  • 5 authors
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May 28

VG3S: Visual Geometry Grounded Gaussian Splatting for Semantic Occupancy Prediction

3D semantic occupancy prediction has become a crucial perception task for comprehensive scene understanding in autonomous driving. While recent advances have explored 3D Gaussian splatting for occupancy modeling to substantially reduce computational overhead, the generation of high-quality 3D Gaussians relies heavily on accurate geometric cues, which are often insufficient in purely vision-centric paradigms. To bridge this gap, we advocate for injecting the strong geometric grounding capability from Vision Foundation Models (VFMs) into occupancy prediction. In this regard, we introduce Visual Geometry Grounded Gaussian Splatting (VG3S), a novel framework that empowers Gaussian-based occupancy prediction with cross-view 3D geometric grounding. Specifically, to fully exploit the rich 3D geometric priors from a frozen VFM, we propose a plug-and-play hierarchical geometric feature adapter, which can effectively transform generic VFM tokens via feature aggregation, task-specific alignment, and multi-scale restructuring. Extensive experiments on the nuScenes occupancy benchmark demonstrate that VG3S achieves remarkable improvements of 12.6% in IoU and 7.5% in mIoU over the baseline. Furthermore, we show that VG3S generalizes seamlessly across diverse VFMs, consistently enhancing occupancy prediction accuracy and firmly underscoring the immense value of integrating priors derived from powerful, pre-trained geometry-grounded VFMs.

  • 3 authors
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Mar 6

UniHR: Hierarchical Representation Learning for Unified Knowledge Graph Link Prediction

Real-world knowledge graphs (KGs) contain not only standard triple-based facts, but also more complex, heterogeneous types of facts, such as hyper-relational facts with auxiliary key-value pairs, temporal facts with additional timestamps, and nested facts that imply relationships between facts. These richer forms of representation have attracted significant attention due to their enhanced expressiveness and capacity to model complex semantics in real-world scenarios. However, most existing studies suffer from two main limitations: (1) they typically focus on modeling only specific types of facts, thus making it difficult to generalize to real-world scenarios with multiple fact types; and (2) they struggle to achieve generalizable hierarchical (inter-fact and intra-fact) modeling due to the complexity of these representations. To overcome these limitations, we propose UniHR, a Unified Hierarchical Representation learning framework, which consists of a learning-optimized Hierarchical Data Representation (HiDR) module and a unified Hierarchical Structure Learning (HiSL) module. The HiDR module unifies hyper-relational KGs, temporal KGs, and nested factual KGs into triple-based representations. Then HiSL incorporates intra-fact and inter-fact message passing, focusing on enhancing both semantic information within individual facts and enriching the structural information between facts. To go beyond the unified method itself, we further explore the potential of unified representation in complex real-world scenarios. Extensive experiments on 9 datasets across 5 types of KGs demonstrate the effectiveness of UniHR and highlight the strong potential of unified representations. Code and data are available at https://github.com/zjukg/UniHR.

  • 7 authors
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Mar 5

ChoirRec: Semantic User Grouping via LLMs for Conversion Rate Prediction of Low-Activity Users

Accurately predicting conversion rates (CVR) for low-activity users remains a fundamental challenge in large-scale e-commerce recommender systems. Existing approaches face three critical limitations: (i) reliance on noisy and unreliable behavioral signals; (ii) insufficient user-level information due to the lack of diverse interaction data; and (iii) a systemic training bias toward high-activity users that overshadows the needs of low-activity users. To address these challenges, we propose ChoirRec, a novel framework that leverages the semantic capabilities of Large Language Models (LLMs) to construct semantic user groups and enhance CVR prediction for low-activity users. With a dual-channel architecture designed for robust cross-user knowledge transfer, ChoirRec comprises three components: (i) a Semantic Group Generation module that utilizes LLMs to form reliable, cross-activity user clusters, thereby filtering out noisy signals; (ii) a Group-aware Hierarchical Representation module that enriches sparse user embeddings with informative group-level priors to mitigate data insufficiency; and (iii) a Group-aware Multi-granularity Modual that employs a dual-channel architecture and adaptive fusion mechanism to ensure effective learning and utilization of group knowledge. We conduct extensive offline and online experiments on Taobao, a leading industrial-scale e-commerce platform. ChoirRec improves GAUC by 1.16\% in offline evaluations, while online A/B testing reveals a 7.24\% increase in order volume, highlighting its substantial practical value in real-world applications.

  • 7 authors
·
Oct 12, 2025

NAICS-Aware Graph Neural Networks for Large-Scale POI Co-visitation Prediction: A Multi-Modal Dataset and Methodology

Understanding where people go after visiting one business is crucial for urban planning, retail analytics, and location-based services. However, predicting these co-visitation patterns across millions of venues remains challenging due to extreme data sparsity and the complex interplay between spatial proximity and business relationships. Traditional approaches using only geographic distance fail to capture why coffee shops attract different customer flows than fine dining restaurants, even when co-located. We introduce NAICS-aware GraphSAGE, a novel graph neural network that integrates business taxonomy knowledge through learnable embeddings to predict population-scale co-visitation patterns. Our key insight is that business semantics, captured through detailed industry codes, provide crucial signals that pure spatial models cannot explain. The approach scales to massive datasets (4.2 billion potential venue pairs) through efficient state-wise decomposition while combining spatial, temporal, and socioeconomic features in an end-to-end framework. Evaluated on our POI-Graph dataset comprising 94.9 million co-visitation records across 92,486 brands and 48 US states, our method achieves significant improvements over state-of-the-art baselines: the R-squared value increases from 0.243 to 0.625 (a 157 percent improvement), with strong gains in ranking quality (32 percent improvement in NDCG at 10).

  • 6 authors
·
Jul 25, 2025

MS-Occ: Multi-Stage LiDAR-Camera Fusion for 3D Semantic Occupancy Prediction

Accurate 3D semantic occupancy perception is essential for autonomous driving in complex environments with diverse and irregular objects. While vision-centric methods suffer from geometric inaccuracies, LiDAR-based approaches often lack rich semantic information. To address these limitations, MS-Occ, a novel multi-stage LiDAR-camera fusion framework which includes middle-stage fusion and late-stage fusion, is proposed, integrating LiDAR's geometric fidelity with camera-based semantic richness via hierarchical cross-modal fusion. The framework introduces innovations at two critical stages: (1) In the middle-stage feature fusion, the Gaussian-Geo module leverages Gaussian kernel rendering on sparse LiDAR depth maps to enhance 2D image features with dense geometric priors, and the Semantic-Aware module enriches LiDAR voxels with semantic context via deformable cross-attention; (2) In the late-stage voxel fusion, the Adaptive Fusion (AF) module dynamically balances voxel features across modalities, while the High Classification Confidence Voxel Fusion (HCCVF) module resolves semantic inconsistencies using self-attention-based refinement. Experiments on the nuScenes-OpenOccupancy benchmark show that MS-Occ achieves an Intersection over Union (IoU) of 32.1% and a mean IoU (mIoU) of 25.3%, surpassing the state-of-the-art by +0.7% IoU and +2.4% mIoU. Ablation studies further validate the contribution of each module, with substantial improvements in small-object perception, demonstrating the practical value of MS-Occ for safety-critical autonomous driving scenarios.

  • 7 authors
·
Apr 22, 2025

InvDesMobility: a reliability-gated first-principles feedback framework for closed-loop materials discovery

Inverse materials design starts from target functionality and searches for structures that can realize it. Its value in closed-loop discovery depends not only on prediction performance, but also on whether expensive first-principles results are independently validated, provenance-recorded, and admitted as feedback only when evidence is sufficient. This is especially important for composite properties such as carrier mobility, where a final scalar value hides intermediate quantities, fit quality, convergence history, and workflow assumptions. Here we present InvDesMobility, a reliability-gated first-principles feedback framework that integrates multi-agent automated DFT, evidence stratification, generative structure proposal, acquisition ranking, and auditable release. Using 516 2DMatPedia-derived candidates, the workflow produced 280 QC-passed materials and 573 retained carrier-direction seed channels after channel-level reliability gating. These records were split into two feedback objects: relaxed structures updated the generative model, while retained mobility channels trained the acquisition model and set validation priority. Over multiple iterations, InvDesMobility screened 2.4 x 10^6 structures, submitted 102 candidates for DFT validation, and retained 86 reliability-gated generated channels across 41 formulas. Overall, the main contribution is not a fixed list of high-mobility materials, but a transferable feedback contract that makes closed-loop inverse design both useful and auditable when learning from expensive calculated properties. All source data, retained feedback records, and workflows are available at https://github.com/DreamLufei/invDesMobility, with an accompanying evidence website at https://dreamlufei.github.io/invDesMobility/.

  • 5 authors
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Jun 14

Monash University, UEA, UCR Time Series Extrinsic Regression Archive

Time series research has gathered lots of interests in the last decade, especially for Time Series Classification (TSC) and Time Series Forecasting (TSF). Research in TSC has greatly benefited from the University of California Riverside and University of East Anglia (UCR/UEA) Time Series Archives. On the other hand, the advancement in Time Series Forecasting relies on time series forecasting competitions such as the Makridakis competitions, NN3 and NN5 Neural Network competitions, and a few Kaggle competitions. Each year, thousands of papers proposing new algorithms for TSC and TSF have utilized these benchmarking archives. These algorithms are designed for these specific problems, but may not be useful for tasks such as predicting the heart rate of a person using photoplethysmogram (PPG) and accelerometer data. We refer to this problem as Time Series Extrinsic Regression (TSER), where we are interested in a more general methodology of predicting a single continuous value, from univariate or multivariate time series. This prediction can be from the same time series or not directly related to the predictor time series and does not necessarily need to be a future value or depend heavily on recent values. To the best of our knowledge, research into TSER has received much less attention in the time series research community and there are no models developed for general time series extrinsic regression problems. Most models are developed for a specific problem. Therefore, we aim to motivate and support the research into TSER by introducing the first TSER benchmarking archive. This archive contains 19 datasets from different domains, with varying number of dimensions, unequal length dimensions, and missing values. In this paper, we introduce the datasets in this archive and did an initial benchmark on existing models.

  • 4 authors
·
Jun 19, 2020