AlphaZero-like Monte Carlo Tree Search systems, originally introduced for two-player games, dynamically balance exploration and exploitation using neural network guidance. This combination makes them also suitable for classical search problems. However, the original method of training the network with simulation results is limited in sparse reward settings, especially in the early stages, where the network cannot yet give guidance. Hindsight Experience Replay (HER) addresses this issue by relabeling unsuccessful trajectories from the search tree as supervised learning signals. We introduce Adaptable HER (\ours{}), a flexible framework that integrates HER with AlphaZero, allowing easy adjustments to HER properties such as relabeled goals, policy targets, and trajectory selection. Our experiments, including equation discovery, show that the possibility of modifying HER is beneficial and surpasses the performance of pure supervised or reinforcement learning.

Learning causal structure from observational data is especially challenging when latent variables or selection bias are present. The Fast Causal Inference (FCI) algorithm addresses this setting but performs exhaustive conditional independence tests across many subsets, often leading to spurious independences, missing or extra edges, and unreliable orientations. We present a family of score-guided mixed-strategy causal search algorithms that extend this framework. First, we introduce BOSS-FCI and GRaSP-FCI, variants of GFCI (Greedy Fast Causal Inference) that substitute BOSS (Best Order Score Search) or GRaSP (Greedy Relaxations of Sparsest Permutation) for FGES (Fast Greedy Equivalence Search), preserving correctness while trading off scalability and conservativeness. Second, we develop FCI Targeted-Testing (FCIT), a novel hybrid method that replaces exhaustive testing with targeted, score-informed tests guided by BOSS. FCIT guarantees well-formed PAGs and achieves higher precision and efficiency across sample sizes. Finally, we propose a lightweight heuristic, LV-Dumb (Latent Variable "Dumb"), which returns the PAG of the BOSS DAG (Directed Acyclic Graph). Though not strictly sound for latent confounding, LV-Dumb often matches FCIT's accuracy while running substantially faster. Simulations and real-data analyses show that BOSS-FCI and GRaSP-FCI provide robust baselines, FCIT yields the best balance of precision and reliability, and LV-Dumb offers a fast, near-equivalent alternative. Together, these methods demonstrate that targeted and score-guided strategies can dramatically improve the efficiency and correctness of latent-variable causal discovery.

AI research agents are demonstrating great potential to accelerate scientific progress by automating the design, implementation, and training of machine learning models. We focus on methods for improving agents' performance on MLE-bench, a challenging benchmark where agents compete in Kaggle competitions to solve real-world machine learning problems. We formalize AI research agents as search policies that navigate a space of candidate solutions, iteratively modifying them using operators. By designing and systematically varying different operator sets and search policies (Greedy, MCTS, Evolutionary), we show that their interplay is critical for achieving high performance. Our best pairing of search strategy and operator set achieves a state-of-the-art result on MLE-bench lite, increasing the success rate of achieving a Kaggle medal from 39.6% to 47.7%. Our investigation underscores the importance of jointly considering the search strategy, operator design, and evaluation methodology in advancing automated machine learning.

Multi-Task Learning (MTL) in Neural Combinatorial Optimization (NCO) is a promising approach to train a unified model capable of solving multiple Vehicle Routing Problem (VRP) variants. However, existing Reinforcement Learning (RL)-based multi-task methods can only train light decoder models on small-scale problems, exhibiting limited generalization ability when solving large-scale problems. To overcome this limitation, this work introduces a novel multi-task learning method driven by knowledge distillation (MTL-KD), which enables the efficient training of heavy decoder models with strong generalization ability. The proposed MTL-KD method transfers policy knowledge from multiple distinct RL-based single-task models to a single heavy decoder model, facilitating label-free training and effectively improving the model's generalization ability across diverse tasks. In addition, we introduce a flexible inference strategy termed Random Reordering Re-Construction (R3C), which is specifically adapted for diverse VRP tasks and further boosts the performance of the multi-task model. Experimental results on 6 seen and 10 unseen VRP variants with up to 1000 nodes indicate that our proposed method consistently achieves superior performance on both uniform and real-world benchmarks, demonstrating robust generalization abilities.

THIS WORK HAS BEEN SUBMITTED TO THE IEEE FOR POSSIBLE PUBLICA TION. Abstract--The capacitated location-routing problems (CLRPs) are classical problems in combinatorial optimization, which require simultaneously making location and routing decisions. In CLRPs, the complex constraints and the intricate relationships between various decisions make the problem challenging to solve. With the emergence of deep reinforcement learning (DRL), it has been extensively applied to address the vehicle routing problem and its variants, while the research related to CLRPs still needs to be explored. In this paper, we propose the DRL with heterogeneous query (DRLHQ) to solve CLRP and open CLRP (OCLRP), respectively. We are the first to propose an end-to-end learning approach for CLRPs, following the encoder-decoder structure. In particular, we reformulate the CLRPs as a markov decision process tailored to various decisions, a general modeling framework that can be adapted to other DRL-based methods. T o better handle the interdependency across location and routing decisions, we also introduce a novel heterogeneous querying attention mechanism designed to adapt dynamically to various decision-making stages. Experimental results on both synthetic and benchmark datasets demonstrate superior solution quality and better generalization performance of our proposed approach over representative traditional and DRL-based baselines in solving both CLRP and OCLRP . HE facility location problem (FLP) and vehicle routing problem (VRP) are two critical combinatorial optimization problems (COPs) in transportation and logistics, which are traditionally addressed sequentially. However, planning the routes after facility location may lead to suboptimal solutions due to the interdependencies across various decisions [1], [2]. Therefore, the capacitated location-routing problems (CLRPs) [3] are proposed to simultaneously make location and routing decisions. The CLRPs are one of the most classical topics in the community of operations research and have extensive applications such as supply-chain management [4], emergency management [5], and disaster relief [6]. This work was supported by the National Key Research and Development Program of China No.2022ZD0119703; in part by the National Natural Science Foundations of China (NSFC) under Grant 62273044 and 62022015; in part by the National Natural Science Foundation of China National Science Fund for Distinguished Y oung Scholars under Grant 62025301; in part by the National Natural Science Foundation of China Basic Science Center Program under Grant 62088101. In CLRPs, depots and vehicles are subject to the maximum capacity constraints, and the depots are considered heterogeneous due to distinct capacities and opening costs. Meanwhile, we also study the open CLRP (OCLRP) [7], a variant of CLRP, by considering open-ended routes.

Mixed-Integer Linear Programming (MILP) is a fundamental and powerful framework for modeling complex optimization problems across diverse domains. Recently, learning-based methods have shown great promise in accelerating MILP solvers by predicting high-quality solutions. However, most existing approaches are developed and evaluated in single-domain settings, limiting their ability to generalize to unseen problem distributions. This limitation poses a major obstacle to building scalable and general-purpose learning-based solvers. To address this challenge, we introduce RoME, a domain-Robust Mixture-of-Experts framework for predicting MILP solutions across domains. RoME dynamically routes problem instances to specialized experts based on learned task embeddings. The model is trained using a two-level distributionally robust optimization strategy: inter-domain to mitigate global shifts across domains, and intra-domain to enhance local robustness by introducing perturbations on task embeddings. We reveal that cross-domain training not only enhances the model's generalization capability to unseen domains but also improves performance within each individual domain by encouraging the model to capture more general intrinsic combinatorial patterns. Specifically, a single RoME model trained on three domains achieves an average improvement of 67.7% then evaluated on five diverse domains. We further test the pretrained model on MIPLIB in a zero-shot setting, demonstrating its ability to deliver measurable performance gains on challenging real-world instances where existing learning-based approaches often struggle to generalize.

This work studies the non-monotone DR-submodular Maximization over a ground set of $n$ subject to a size constraint $k$. We propose two approximation algorithms for solving this problem named FastDrSub and FastDrSub++. FastDrSub offers an approximation ratio of $0.044$ with query complexity of $O(n \log(k))$. The second one, FastDrSub++, improves upon it with a ratio of $1/4-ε$ within query complexity of $(n \log k)$ for an input parameter $ε>0$. Therefore, our proposed algorithms are the first constant-ratio approximation algorithms for the problem with the low complexity of $O(n \log(k))$. Additionally, both algorithms are experimentally evaluated and compared against existing state-of-the-art methods, demonstrating their effectiveness in solving the Revenue Maximization problem with DR-submodular objective function. The experimental results show that our proposed algorithms significantly outperform existing approaches in terms of both query complexity and solution quality.

We propose Re-FORC, an adaptive reward prediction method that, given a context, enables prediction of the expected future rewards as a function of the number of future thinking tokens. Re-FORC trains a lightweight adapter on reasoning models, demonstrating improved prediction with longer reasoning and larger models. Re-FORC enables: 1) early stopping of unpromising reasoning chains, reducing compute by 26% while maintaining accuracy, 2) optimized model and thinking length selection that achieves 4% higher accuracy at equal compute and 55% less compute at equal accuracy compared to the largest model, 3) adaptive test-time scaling, which increases accuracy by 11% in high compute regime, and 7% in low compute regime. Re-FORC allows dynamic reasoning with length control via cost-per-token thresholds while estimating computation time upfront.

Sequence generation and prediction form a cornerstone of modern machine learning, with applications spanning natural language processing, program synthesis, and time-series forecasting. These tasks are typically modeled in an autoregressive fashion, where each token is generated conditional on the preceding ones, and beam search is commonly used to balance exploration and fluency during decoding. While deep learning models and Large Language Models (LLMs) excel at capturing statistical patterns in this setting, they remain ill-equipped to guarantee compliance with formal constraints. In this paper, we introduce ABS: a general and model-agnostic inference-time algorithm that guarantees compliance with any constraint that can be compiled into a Deterministic Finite Automaton (DFA), without requiring retraining. ABS leverages the DFA to guide a constrained variant of beam search: at each decoding step, transitions leading to violations are masked, while remaining paths are dynamically re-ranked according to both the model's probabilities and the automaton's acceptance structure. We formally prove that the resulting sequences are guaranteed to satisfy the given constraints, and we empirically demonstrate that ABS also improves output quality. We validate our approach on three distinct tasks: constrained image-stream classification, controlled text generation, and text infilling. In all settings, ABS achieves perfect constraint satisfaction, while outperforming or matching state-of-the-art baselines on standard quality metrics and efficiency.

Retrieval-Augmented Generation (RAG) quality depends on many interacting choices across retrieval, ranking, augmentation, prompting, and generation, so optimizing modules in isolation is brittle. We introduce RAGSmith, a modular framework that treats RAG design as an end-to-end architecture search over nine technique families and 46{,}080 feasible pipeline configurations. A genetic search optimizes a scalar objective that jointly aggregates retrieval metrics (recall@k, mAP, nDCG, MRR) and generation metrics (LLM-Judge and semantic similarity). We evaluate on six Wikipedia-derived domains (Mathematics, Law, Finance, Medicine, Defense Industry, Computer Science), each with 100 questions spanning factual, interpretation, and long-answer types. RAGSmith finds configurations that consistently outperform naive RAG baseline by +3.8\% on average (range +1.2\% to +6.9\% across domains), with gains up to +12.5\% in retrieval and +7.5\% in generation. The search typically explores $\approx 0.2\%$ of the space ($\sim 100$ candidates) and discovers a robust backbone -- vector retrieval plus post-generation reflection/revision -- augmented by domain-dependent choices in expansion, reranking, augmentation, and prompt reordering; passage compression is never selected. Improvement magnitude correlates with question type, with larger gains on factual/long-answer mixes than interpretation-heavy sets. These results provide practical, domain-aware guidance for assembling effective RAG systems and demonstrate the utility of evolutionary search for full-pipeline optimization.