Melt pool dynamics in metal additive manufacturing (AM) is critical to process stability, microstructure formation, and final properties of the printed materials. Physics-based simulation including computational fluid dynamics (CFD) is the dominant approach to predict melt pool dynamics. However, the physics-based simulation approaches suffer from the inherent issue of very high computational cost. This paper provides a physics-informed machine learning (PIML) method by integrating neural networks with the governing physical laws to predict the melt pool dynamics such as temperature, velocity, and pressure without using any training data on velocity. This approach avoids solving the highly non-linear Navier-Stokes equation numerically, which significantly reduces the computational cost. The difficult-to-determine model constants of the governing equations of the melt pool can also be inferred through data-driven discovery. In addition, the physics-informed neural network (PINN) architecture has been optimized for efficient model training. The data-efficient PINN model is attributed to the soft penalty by incorporating governing partial differential equations (PDEs), initial conditions, and boundary conditions in the PINN model.
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Additive manufacturing has enabled the fabrication of advanced reactor geometries, permitting larger, more complex design spaces. Identifying promising configurations within such spaces presents a significant challenge for current approaches. Furthermore, existing parameterisations of reactor geometries are low-dimensional with expensive optimisation limiting more complex solutions. To address this challenge, we establish a machine learning-assisted approach for the design of the next-generation of chemical reactors, combining the application of high-dimensional parameterisations, computational fluid dynamics, and multi-fidelity Bayesian optimisation. We associate the development of mixing-enhancing vortical flow structures in novel coiled reactors with performance, and use our approach to identify key characteristics of optimal designs. By appealing to fluid mechanical principles, we rationalise the selection of novel design features that lead to experimental performance improvements of ~60% over conventional designs. Our results demonstrate that coupling advanced manufacturing techniques with `augmented-intelligence' approaches can lead to superior design performance and, consequently, emissions-reduction and sustainability.
Despite the promising progress in multi-modal tasks, current large multi-modal models (LMM) are prone to hallucinating inconsistent descriptions with respect to the associated image and human instructions. This paper addresses this issue by introducing the first large and diverse visual instruction tuning dataset, named Large-scale Robust Visual (LRV)-Instruction. Our dataset consists of 120k visual instructions generated by GPT4, covering 16 vision-and-language tasks with open-ended instructions and answers. Unlike existing studies that primarily focus on positive instruction samples, we design LRV-Instruction to include both positive and negative instructions for more robust visual instruction tuning. Our negative instructions are designed at two semantic levels: (i) Nonexistent Element Manipulation and (ii) Existent Element Manipulation. To efficiently measure the hallucination generated by LMMs, we propose GPT4-Assisted Visual Instruction Evaluation (GAVIE), a novel approach to evaluate visual instruction tuning without the need for human-annotated groundtruth answers and can adapt to diverse instruction formats. We conduct comprehensive experiments to investigate the hallucination of LMMs. Our results demonstrate that existing LMMs exhibit significant hallucination when presented with our negative instructions, particularly with Existent Element Manipulation instructions. Moreover, by finetuning MiniGPT4 on LRV-Instruction, we successfully mitigate hallucination while improving performance on public datasets using less training data compared to state-of-the-art methods. Additionally, we observed that a balanced ratio of positive and negative instances in the training data leads to a more robust model. Updates of our project are available at //fuxiaoliu.github.io/LRV/.
Distribution-dependent stochastic dynamical systems arise widely in engineering and science. We consider a class of such systems which model the limit behaviors of interacting particles moving in a vector field with random fluctuations. We aim to examine the most likely transition path between equilibrium stable states of the vector field. In the small noise regime, the action functional does not involve the solution of the skeleton equation which describes the unperturbed deterministic flow of the vector field shifted by the interaction at zero distance. As a result, we are led to study the most likely transition path for a stochastic differential equation without distribution dependency. This enables the computation of the most likely transition path for these distribution-dependent stochastic dynamical systems by the adaptive minimum action method and we illustrate our approach in two examples.
Inertia-dominated mechanical systems can achieve net displacement by 1) periodically changing their shape (known as kinematic gait) and 2) adjusting their inertia distribution to utilize the existing nonzero net momentum (known as momentum gait). Therefore, finding the gait that most effectively utilizes the two types of locomotion in terms of the magnitude of the net momentum is a significant topic in the study of locomotion. For kinematic locomotion with zero net momentum, the geometry of optimal gaits is expressed as the equilibria of system constraint curvature flux through the surface bounded by the gait, and the cost associated with executing the gait in the metric space. In this paper, we identify the geometry of optimal gaits with nonzero net momentum effects by lifting the gait description to a time-parameterized curve in shape-time space. We also propose the variational gait optimization algorithm corresponding to the lifted geometric structure, and identify two distinct patterns in the optimal motion, determined by whether or not the kinematic and momentum gaits are concentric. The examples of systems with and without fluid-added mass demonstrate that the proposed algorithm can efficiently solve forward and turning locomotion gaits in the presence of nonzero net momentum. At any given momentum and effort limit, the proposed optimal gait that takes into account both momentum and kinematic effects outperforms the reference gaits that each only considers one of these effects.
Markov processes are widely used mathematical models for describing dynamic systems in various fields. However, accurately simulating large-scale systems at long time scales is computationally expensive due to the short time steps required for accurate integration. In this paper, we introduce an inference process that maps complex systems into a simplified representational space and models large jumps in time. To achieve this, we propose Time-lagged Information Bottleneck (T-IB), a principled objective rooted in information theory, which aims to capture relevant temporal features while discarding high-frequency information to simplify the simulation task and minimize the inference error. Our experiments demonstrate that T-IB learns information-optimal representations for accurately modeling the statistical properties and dynamics of the original process at a selected time lag, outperforming existing time-lagged dimensionality reduction methods.
We present two effective methods for solving high-dimensional partial differential equations (PDE) based on randomized neural networks. Motivated by the universal approximation property of this type of networks, both methods extend the extreme learning machine (ELM) approach from low to high dimensions. With the first method the unknown solution field in $d$ dimensions is represented by a randomized feed-forward neural network, in which the hidden-layer parameters are randomly assigned and fixed while the output-layer parameters are trained. The PDE and the boundary/initial conditions, as well as the continuity conditions (for the local variant of the method), are enforced on a set of random interior/boundary collocation points. The resultant linear or nonlinear algebraic system, through its least squares solution, provides the trained values for the network parameters. With the second method the high-dimensional PDE problem is reformulated through a constrained expression based on an Approximate variant of the Theory of Functional Connections (A-TFC), which avoids the exponential growth in the number of terms of TFC as the dimension increases. The free field function in the A-TFC constrained expression is represented by a randomized neural network and is trained by a procedure analogous to the first method. We present ample numerical simulations for a number of high-dimensional linear/nonlinear stationary/dynamic PDEs to demonstrate their performance. These methods can produce accurate solutions to high-dimensional PDEs, in particular with their errors reaching levels not far from the machine accuracy for relatively lower dimensions. Compared with the physics-informed neural network (PINN) method, the current method is both cost-effective and more accurate for high-dimensional PDEs.
Until high-fidelity quantum computers with a large number of qubits become widely available, classical simulation remains a vital tool for algorithm design, tuning, and validation. We present a simulator for the Quantum Approximate Optimization Algorithm (QAOA). Our simulator is designed with the goal of reducing the computational cost of QAOA parameter optimization and supports both CPU and GPU execution. Our central observation is that the computational cost of both simulating the QAOA state and computing the QAOA objective to be optimized can be reduced by precomputing the diagonal Hamiltonian encoding the problem. We reduce the time for a typical QAOA parameter optimization by eleven times for $n = 26$ qubits compared to a state-of-the-art GPU quantum circuit simulator based on cuQuantum. Our simulator is available on GitHub: //github.com/jpmorganchase/QOKit
Visible-infrared person re-identification (VI-ReID) is a challenging task due to large cross-modality discrepancies and intra-class variations. Existing methods mainly focus on learning modality-shared representations by embedding different modalities into the same feature space. As a result, the learned feature emphasizes the common patterns across modalities while suppressing modality-specific and identity-aware information that is valuable for Re-ID. To address these issues, we propose a novel Modality Unifying Network (MUN) to explore a robust auxiliary modality for VI-ReID. First, the auxiliary modality is generated by combining the proposed cross-modality learner and intra-modality learner, which can dynamically model the modality-specific and modality-shared representations to alleviate both cross-modality and intra-modality variations. Second, by aligning identity centres across the three modalities, an identity alignment loss function is proposed to discover the discriminative feature representations. Third, a modality alignment loss is introduced to consistently reduce the distribution distance of visible and infrared images by modality prototype modeling. Extensive experiments on multiple public datasets demonstrate that the proposed method surpasses the current state-of-the-art methods by a significant margin.
Multi-object tracking (MOT) at low frame rates can reduce computational, storage and power overhead to better meet the constraints of edge devices. Many existing MOT methods suffer from significant performance degradation in low-frame-rate videos due to significant location and appearance changes between adjacent frames. To this end, we propose to explore collaborative tracking learning (ColTrack) for frame-rate-insensitive MOT in a query-based end-to-end manner. Multiple historical queries of the same target jointly track it with richer temporal descriptions. Meanwhile, we insert an information refinement module between every two temporal blocking decoders to better fuse temporal clues and refine features. Moreover, a tracking object consistency loss is proposed to guide the interaction between historical queries. Extensive experimental results demonstrate that in high-frame-rate videos, ColTrack obtains higher performance than state-of-the-art methods on large-scale datasets Dancetrack and BDD100K, and outperforms the existing end-to-end methods on MOT17. More importantly, ColTrack has a significant advantage over state-of-the-art methods in low-frame-rate videos, which allows it to obtain faster processing speeds by reducing frame-rate requirements while maintaining higher performance. Code will be released at //github.com/yolomax/ColTrack
Solving linear inverse problems plays a crucial role in numerous applications. Algorithm unfolding based, model-aware data-driven approaches have gained significant attention for effectively addressing these problems. Learned iterative soft-thresholding algorithm (LISTA) and alternating direction method of multipliers compressive sensing network (ADMM-CSNet) are two widely used such approaches, based on ISTA and ADMM algorithms, respectively. In this work, we study optimization guarantees, i.e., achieving near-zero training loss with the increase in the number of learning epochs, for finite-layer unfolded networks such as LISTA and ADMM-CSNet with smooth soft-thresholding in an over-parameterized (OP) regime. We achieve this by leveraging a modified version of the Polyak-Lojasiewicz, denoted PL$^*$, condition. Satisfying the PL$^*$ condition within a specific region of the loss landscape ensures the existence of a global minimum and exponential convergence from initialization using gradient descent based methods. Hence, we provide conditions, in terms of the network width and the number of training samples, on these unfolded networks for the PL$^*$ condition to hold. We achieve this by deriving the Hessian spectral norm of these networks. Additionally, we show that the threshold on the number of training samples increases with the increase in the network width. Furthermore, we compare the threshold on training samples of unfolded networks with that of a standard fully-connected feed-forward network (FFNN) with smooth soft-thresholding non-linearity. We prove that unfolded networks have a higher threshold value than FFNN. Consequently, one can expect a better expected error for unfolded networks than FFNN.
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