Multi-task learning (MTL) is a widely explored paradigm that enables the simultaneous learning of multiple tasks using a single model. Despite numerous solutions, the key issues of optimization conflict and task imbalance remain under-addressed, limiting performance. Unlike existing optimization-based approaches that typically reweight task losses or gradients to mitigate conflicts or promote progress, we propose a novel approach based on Continual Optimization with Symmetry Teleportation (COST). During MTL optimization, when an optimization conflict arises, we seek an alternative loss-equivalent point on the loss landscape to reduce conflict. Specifically, we utilize a low-rank adapter (LoRA) to facilitate this practical teleportation by designing convergent, loss-invariant objectives. Additionally, we introduce a historical trajectory reuse strategy to continually leverage the benefits of advanced optimizers. Extensive experiments on multiple mainstream datasets demonstrate the effectiveness of our approach. COST is a plug-and-play solution that enhances a wide range of existing MTL methods. When integrated with state-of-the-art methods, COST achieves superior performance.

Automating labor-intensive tasks such as crop monitoring with robots is essential for enhancing production and conserving resources. However, autonomously monitoring horticulture crops remains challenging due to their complex structures, which often result in fruit occlusions. Existing view planning methods attempt to reduce occlusions but either struggle to achieve adequate coverage or incur high robot motion costs. We introduce a global optimization approach for view motion planning that aims to minimize robot motion costs while maximizing fruit coverage. To this end, we leverage coverage constraints derived from the set covering problem (SCP) within a shortest Hamiltonian path problem (SHPP) formulation. While both SCP and SHPP are well-established, their tailored integration enables a unified framework that computes a global view path with minimized motion while ensuring full coverage of selected targets. Given the NP-hard nature of the problem, we employ a region-prior-based selection of coverage targets and a sparse graph structure to achieve effective optimization outcomes within a limited time. Experiments in simulation demonstrate that our method detects more fruits, enhances surface coverage, and achieves higher volume accuracy than the motion-efficient baseline with a moderate increase in motion cost, while significantly reducing motion costs compared to the coverage-focused baseline. Real-world experiments further confirm the practical applicability of our approach.

Adam has become one of the most popular optimizers for training modern deep neural networks, such as transformers. However, its applicability is largely restricted to single-level optimization problems. In this paper, we aim to extend vanilla Adam to tackle bilevel optimization problems, which have important applications in machine learning, such as meta-learning. In particular, we study stochastic bilevel optimization problems where the lower-level function is strongly convex and the upper-level objective is nonconvex with potentially unbounded smoothness. This unbounded smooth objective function covers a broad class of neural networks, including transformers, which may exhibit non-Lipschitz gradients. In this work, we introduce AdamBO, a single-loop Adam-type method that achieves $\widetilde{O}(\epsilon^{-4})$ oracle complexity to find $\epsilon$-stationary points, where the oracle calls involve stochastic gradient or Hessian/Jacobian-vector product evaluations. The key to our analysis is a novel randomness decoupling lemma that provides refined control over the lower-level variable. We conduct extensive experiments on various machine learning tasks involving bilevel formulations with recurrent neural networks (RNNs) and transformers, demonstrating the effectiveness of our proposed Adam-type algorithm.

This paper addresses the challenge of packet-based information routing in large-scale wireless communication networks. The problem is framed as a constrained statistical learning task, where each network node operates using only local information. Opportunistic routing exploits the broadcast nature of wireless communication to dynamically select optimal forwarding nodes, enabling the information to reach the destination through multiple relay nodes simultaneously. To solve this, we propose a State-Augmentation (SA) based distributed optimization approach aimed at maximizing the total information handled by the source nodes in the network. The problem formulation leverages Graph Neural Networks (GNNs), which perform graph convolutions based on the topological connections between network nodes. Using an unsupervised learning paradigm, we extract routing policies from the GNN architecture, enabling optimal decisions for source nodes across various flows. Numerical experiments demonstrate that the proposed method achieves superior performance when training a GNN-parameterized model, particularly when compared to baseline algorithms. Additionally, applying the method to real-world network topologies and wireless ad-hoc network test beds validates its effectiveness, highlighting the robustness and transferability of GNNs.

Bayesian Optimization (BO) with Gaussian Processes relies on optimizing an acquisition function to determine sampling. We investigate the advantages and disadvantages of using a deterministic global solver (MAiNGO) compared to conventional local and stochastic global solvers (L-BFGS-B and multi-start, respectively) for the optimization of the acquisition function. For CPU efficiency, we set a time limit for MAiNGO, taking the best point as optimal. We perform repeated numerical experiments, initially using the Muller-Brown potential as a benchmark function, utilizing the lower confidence bound acquisition function; we further validate our findings with three alternative benchmark functions. Statistical analysis reveals that when the acquisition function is more exploitative (as opposed to exploratory), BO with MAiNGO converges in fewer iterations than with the local solvers. However, when the dataset lacks diversity, or when the acquisition function is overly exploitative, BO with MAiNGO, compared to the local solvers, is more likely to converge to a local rather than a global ly near-optimal solution of the black-box function. L-BFGS-B and multi-start mitigate this risk in BO by introducing stochasticity in the selection of the next sampling point, which enhances the exploration of uncharted regions in the search space and reduces dependence on acquisition function hyperparameters. Ultimately, suboptimal optimization of poorly chosen acquisition functions may be preferable to their optimal solution. When the acquisition function is more exploratory, BO with MAiNGO, multi-start, and L-BFGS-B achieve comparable probabilities of convergence to a globally near-optimal solution (although BO with MAiNGO may require more iterations to converge under these conditions).

Machine learning and optimisation techniques (MLOPT) hold significant potential to accelerate the decarbonisation of industrial systems by enabling data-driven operational improvements. However, the practical application of MLOPT in industrial settings is often hindered by a lack of domain compliance and system-specific consistency, resulting in suboptimal solutions with limited real-world applicability. To address this challenge, we propose a novel human-in-the-loop (HITL) constraint-based optimisation framework that integrates domain expertise with data-driven methods, ensuring solutions are both technically sound and operationally feasible. We demonstrate the efficacy of this framework through a case study focused on enhancing the thermal efficiency and reducing the turbine heat rate of a 660 MW supercritical coal-fired power plant. By embedding domain knowledge as constraints within the optimisation process, our approach yields solutions that align with the plant's operational patterns and are seamlessly integrated into its control systems. Empirical validation confirms a mean improvement in thermal efficiency of 0.64\% and a mean reduction in turbine heat rate of 93 kJ/kWh. Scaling our analysis to 59 global coal power plants with comparable capacity and fuel type, we estimate a cumulative lifetime reduction of 156.4 million tons of carbon emissions. These results underscore the transformative potential of our HITL-MLOPT framework in delivering domain-compliant, implementable solutions for industrial decarbonisation, offering a scalable pathway to mitigate the environmental impact of coal-based power generation worldwide.

Molecular optimization is a crucial yet complex and time-intensive process that often acts as a bottleneck for drug development. Traditional methods rely heavily on trial and error, making multi-objective optimization both time-consuming and resource-intensive. Current AI-based methods have shown limited success in handling multi-objective optimization tasks, hampering their practical utilization. To address this challenge, we present MultiMol, a collaborative large language model (LLM) system designed to guide multi-objective molecular optimization. MultiMol comprises two agents, including a data-driven worker agent and a literature-guided research agent. The data-driven worker agent is a large language model being fine-tuned to learn how to generate optimized molecules considering multiple objectives, while the literature-guided research agent is responsible for searching task-related literature to find useful prior knowledge that facilitates identifying the most promising optimized candidates. In evaluations across six multi-objective optimization tasks, MultiMol significantly outperforms existing methods, achieving a 82.30% success rate, in sharp contrast to the 27.50% success rate of current strongest methods. To further validate its practical impact, we tested MultiMol on two real-world challenges. First, we enhanced the selectivity of Xanthine Amine Congener (XAC), a promiscuous ligand that binds both A1R and A2AR, successfully biasing it towards A1R. Second, we improved the bioavailability of Saquinavir, an HIV-1 protease inhibitor with known bioavailability limitations. Overall, these results indicate that MultiMol represents a highly promising approach for multi-objective molecular optimization, holding great potential to accelerate the drug development process and contribute to the advancement of pharmaceutical research.

Vision-language-action models (VLAs) have shown great potential as generalist robot policies. However, these models pose urgent safety challenges during deployment, including the risk of physical harm to the environment, the robot itself, and humans. How can safety be explicitly incorporated into VLAs? In this work, we propose SafeVLA, a novel algorithm designed to integrate safety into VLAs, ensuring the protection of the environment, robot hardware and humans in real-world settings. SafeVLA effectively balances safety and task performance by employing large-scale constrained learning within simulated environments. We demonstrate that SafeVLA outperforms the current state-of-the-art method in both safety and task performance, achieving average improvements of 83.58% and 3.85%, respectively, in simulation. By prioritizing safety, our approach eliminates high-risk behaviors and reduces the upper bound of unsafe behaviors to 1/35 of that in the current state-of-the-art, thereby significantly mitigating long-tail risks. Furthermore, the learned safety constraints generalize to diverse, unseen scenarios, including multiple out-of-distribution perturbations and tasks. Our data, models and newly proposed benchmark environment are available at https://sites.google.com/view/pku-safevla.

The commutation angle is defined as the angle between the fundamental of the motor phase current and the fundamental of the back-EMF. It can be utilised to provide a compensating effect in IPMSMs. This is due to the reluctance torque component being dependent on the commutation angle of the phase current even before entering the extended speed range. A real-time maximum torque per current and voltage strategy is demonstrated to find the trajectory and optimum commutation angles, gamma, where the level of accuracy depends on the application and available computational speed. A magnet volume reduction using a novel multi-criteria local Latin hypercube refinement (MLHR) sampling system is also presented to improve the optimisation process. The proposed new technique minimises the magnet mass to motor torque density whilst maintaining a similar phase current level. A mapping of gamma allows the determination of the optimum angles, as shown in this paper. The 3rd generation Toyota Prius IPMSM is considered as the reference motor, where the rotor configuration is altered to allow for an individual assessment.

Combinatorial optimization problems often rely on heuristic algorithms to generate efficient solutions. However, the manual design of heuristics is resource-intensive and constrained by the designer's expertise. Recent advances in artificial intelligence, particularly large language models (LLMs), have demonstrated the potential to automate heuristic generation through evolutionary frameworks. Recent works focus only on well-known combinatorial optimization problems like the traveling salesman problem and online bin packing problem when designing constructive heuristics. This study investigates whether LLMs can effectively generate heuristics for niche, not yet broadly researched optimization problems, using the unit-load pre-marshalling problem as an example case. We propose the Contextual Evolution of Heuristics (CEoH) framework, an extension of the Evolution of Heuristics (EoH) framework, which incorporates problem-specific descriptions to enhance in-context learning during heuristic generation. Through computational experiments, we evaluate CEoH and EoH and compare the results. Results indicate that CEoH enables smaller LLMs to generate high-quality heuristics more consistently and even outperform larger models. Larger models demonstrate robust performance with or without contextualized prompts. The generated heuristics exhibit scalability to diverse instance configurations.