We study gradient flow on the multi-index regression problem for high-dimensional Gaussian data. Multi-index functions consist of a composition of an unknown low-rank linear projection and an arbitrary unknown, low-dimensional link function. As such, they constitute a natural template for feature learning in neural networks. We consider a two-timescale algorithm, whereby the low-dimensional link function is learnt with a non-parametric model infinitely faster than the subspace parametrizing the low-rank projection. By appropriately exploiting the matrix semigroup structure arising over the subspace correlation matrices, we establish global convergence of the resulting Grassmannian population gradient flow dynamics, and provide a quantitative description of its associated `saddle-to-saddle' dynamics. Notably, the timescales associated with each saddle can be explicitly characterized in terms of an appropriate Hermite decomposition of the target link function. In contrast with these positive results, we also show that the related \emph{planted} problem, where the link function is known and fixed, in fact has a rough optimization landscape, in which gradient flow dynamics might get trapped with high probability.

Many crucial scientific problems involve designing novel molecules with desired properties, which can be formulated as a black-box optimization problem over the discrete chemical space. In practice, multiple conflicting objectives and costly evaluations (e.g., wet-lab experiments) make the diversity of candidates paramount. Computational methods have achieved initial success but still struggle with considering diversity in both objective and search space. To fill this gap, we propose a multi-objective Bayesian optimization (MOBO) algorithm leveraging the hypernetwork-based GFlowNets (HN-GFN) as an acquisition function optimizer, with the purpose of sampling a diverse batch of candidate molecular graphs from an approximate Pareto front. Using a single preference-conditioned hypernetwork, HN-GFN learns to explore various trade-offs between objectives. We further propose a hindsight-like off-policy strategy to share high-performing molecules among different preferences in order to speed up learning for HN-GFN. We empirically illustrate that HN-GFN has adequate capacity to generalize over preferences. Moreover, experiments in various real-world MOBO settings demonstrate that our framework predominantly outperforms existing methods in terms of candidate quality and sample efficiency.

The goal of this paper is to demonstrate that common noise may serve as an exploration noise for learning the solution of a mean field game. This concept is here exemplified through a toy linear-quadratic model, for which a suitable form of common noise has already been proven to restore existence and uniqueness. We here go one step further and prove that the same form of common noise may force the convergence of the learning algorithm called `fictitious play', and this without any further potential or monotone structure. Several numerical examples are provided in order to support our theoretical analysis.

The ability to accurately predict others' behavior is central to the safety and efficiency of interactive robotics. Unfortunately, robots often lack access to key information on which these predictions may hinge, such as other agents' goals, attention, and willingness to cooperate. Dual control theory addresses this challenge by treating unknown parameters of a predictive model as stochastic hidden states and inferring their values at runtime using information gathered during system operation. While able to optimally and automatically trade off exploration and exploitation, dual control is computationally intractable for general interactive motion planning. In this paper, we present a novel algorithmic approach to enable active uncertainty reduction for interactive motion planning based on the implicit dual control paradigm. Our approach relies on sampling-based approximation of stochastic dynamic programming, leading to a model predictive control problem that can be readily solved by real-time gradient-based optimization methods. The resulting policy is shown to preserve the dual control effect for a broad class of predictive models with both continuous and categorical uncertainty. To ensure the safe operation of the interacting agents, we use a runtime safety filter (also referred to as a "shielding" scheme), which overrides the robot's dual control policy with a safety fallback strategy when a safety-critical event is imminent. We then augment the dual control framework with an improved variant of the recently proposed shielding-aware robust planning scheme, which proactively balances the nominal planning performance with the risk of high-cost emergency maneuvers triggered by low-probability agent behaviors. We demonstrate the efficacy of our approach with both simulated driving studies and hardware experiments using 1/10 scale autonomous vehicles.

The development of artificial intelligence (AI) for science has led to the emergence of learning-based research paradigms, necessitating a compelling reevaluation of the design of multi-objective optimization (MOO) methods. The new generation MOO methods should be rooted in automated learning rather than manual design. In this paper, we introduce a new automatic learning paradigm for optimizing MOO problems, and propose a multi-gradient learning to optimize (ML2O) method, which automatically learns a generator (or mappings) from multiple gradients to update directions. As a learning-based method, ML2O acquires knowledge of local landscapes by leveraging information from the current step and incorporates global experience extracted from historical iteration trajectory data. By introducing a new guarding mechanism, we propose a guarded multi-gradient learning to optimize (GML2O) method, and prove that the iterative sequence generated by GML2O converges to a Pareto critical point. The experimental results demonstrate that our learned optimizer outperforms hand-designed competitors on training multi-task learning (MTL) neural network.

The fusion of causal models with deep learning introducing increasingly intricate data sets, such as the causal associations within images or between textual components, has surfaced as a focal research area. Nonetheless, the broadening of original causal concepts and theories to such complex, non-statistical data has been met with serious challenges. In response, our study proposes redefinitions of causal data into three distinct categories from the standpoint of causal structure and representation: definite data, semi-definite data, and indefinite data. Definite data chiefly pertains to statistical data used in conventional causal scenarios, while semi-definite data refers to a spectrum of data formats germane to deep learning, including time-series, images, text, and others. Indefinite data is an emergent research sphere inferred from the progression of data forms by us. To comprehensively present these three data paradigms, we elaborate on their formal definitions, differences manifested in datasets, resolution pathways, and development of research. We summarize key tasks and achievements pertaining to definite and semi-definite data from myriad research undertakings, present a roadmap for indefinite data, beginning with its current research conundrums. Lastly, we classify and scrutinize the key datasets presently utilized within these three paradigms.

In this paper, we identify a family of nonconvex continuous optimization instances, each $d$-dimensional instance with $2^d$ local minima, to demonstrate a quantum-classical performance separation. Specifically, we prove that the recently proposed Quantum Hamiltonian Descent (QHD) algorithm [Leng et al., arXiv:2303.01471] is able to solve any $d$-dimensional instance from this family using $\widetilde{\mathcal{O}}(d^3)$ quantum queries to the function value and $\widetilde{\mathcal{O}}(d^4)$ additional 1-qubit and 2-qubit elementary quantum gates. On the other side, a comprehensive empirical study suggests that representative state-of-the-art classical optimization algorithms/solvers (including Gurobi) would require a super-polynomial time to solve such optimization instances.

Real-world data is extremely imbalanced and presents a long-tailed distribution, resulting in models that are biased towards classes with sufficient samples and perform poorly on rare classes. Recent methods propose to rebalance classes but they undertake the seesaw dilemma (what is increasing performance on tail classes may decrease that of head classes, and vice versa). In this paper, we argue that the seesaw dilemma is derived from gradient imbalance of different classes, in which gradients of inappropriate classes are set to important for updating, thus are prone to overcompensation or undercompensation on tail classes. To achieve ideal compensation, we formulate the long-tailed recognition as an multi-objective optimization problem, which fairly respects the contributions of head and tail classes simultaneously. For efficiency, we propose a Gradient-Balancing Grouping (GBG) strategy to gather the classes with similar gradient directions, thus approximately make every update under a Pareto descent direction. Our GBG method drives classes with similar gradient directions to form more representative gradient and provide ideal compensation to the tail classes. Moreover, We conduct extensive experiments on commonly used benchmarks in long-tailed learning and demonstrate the superiority of our method over existing SOTA methods.

Ensuring safe, real-time motion planning in arbitrary environments requires a robotic manipulator to avoid collisions, obey joint limits, and account for uncertainties in the mass and inertia of objects and the robot itself. This paper proposes Autonomous Robust Manipulation via Optimization with Uncertainty-aware Reachability (ARMOUR), a provably-safe, receding-horizon trajectory planner and tracking controller framework for robotic manipulators to address these challenges. ARMOUR first constructs a robust controller that tracks desired trajectories with bounded error despite uncertain dynamics. ARMOUR then uses a novel recursive Newton-Euler method to compute all inputs required to track any trajectory within a continuum of desired trajectories. Finally, ARMOUR over-approximates the swept volume of the manipulator; this enables one to formulate an optimization problem that can be solved in real-time to synthesize provably-safe motions. This paper compares ARMOUR to state of the art methods on a set of challenging manipulation examples in simulation and demonstrates its ability to ensure safety on real hardware in the presence of model uncertainty without sacrificing performance. Project page: https://roahmlab.github.io/armour/.

We develop a fitted value iteration (FVI) method to compute bicausal optimal transport (OT) where couplings have an adapted structure. Based on the dynamic programming formulation, FVI adopts a function class to approximate the value functions in bicausal OT. Under the concentrability condition and approximate completeness assumption, we prove the sample complexity using (local) Rademacher complexity. Furthermore, we demonstrate that multilayer neural networks with appropriate structures satisfy the crucial assumptions required in sample complexity proofs. Numerical experiments reveal that FVI outperforms linear programming and adapted Sinkhorn methods in scalability as the time horizon increases, while still maintaining acceptable accuracy.