Designing molecules with desirable properties, such as drug-likeliness and high binding affinities towards protein targets, is a challenging problem. In this paper, we propose the Dual-Space Optimization (DSO) method that integrates latent space sampling and data space selection to solve this problem. DSO iteratively updates a latent space generative model and a synthetic dataset in an optimization process that gradually shifts the generative model and the synthetic data towards regions of desired property values. Our generative model takes the form of a Latent Prompt Transformer (LPT) where the latent vector serves as the prompt of a causal transformer. Our extensive experiments demonstrate effectiveness of the proposed method, which sets new performance benchmarks across single-objective, multi-objective and constrained molecule design tasks.

A common problem encountered in many real-world applications is level set estimation where the goal is to determine the region in the function domain where the function is above or below a given threshold. When the function is black-box and expensive to evaluate, the level sets need to be found in a minimum set of function evaluations. Existing methods often assume a discrete search space with a finite set of data points for function evaluations and estimating the level sets. When applied to a continuous search space, these methods often need to first discretize the space which leads to poor results while needing high computational time. While some methods cater for the continuous setting, they still lack a proper guarantee for theoretical convergence. To address this problem, we propose a novel algorithm that does not need any discretization and can directly work in continuous search spaces. Our method suggests points by constructing an acquisition function that is defined as a measure of confidence of the function being higher or lower than the given threshold. A theoretical analysis for the convergence of the algorithm to an accurate solution is provided. On multiple synthetic and real-world datasets, our algorithm successfully outperforms state-of-the-art methods.

The advancement in cyber-physical systems has opened a new way in disaster management and rescue operations. The usage of UAVs is very promising in this context. UAVs, mainly quadcopters, are small in size and their payload capacity is limited. A single UAV can not traverse the whole area. Hence multiple UAVs or swarms of UAVs come into the picture managing the entire payload in a modular and equiproportional manner. In this work we have explored a vast topic related to UAVs. Among the UAVs quadcopter is the main focus. We explored the types of quadcopters, their flying strategy,their communication protocols, architecture and controlling techniques, followed by the swarm behaviour in nature and UAVs. Swarm behaviour and a few swarm optimization algorithms has been explored here. Swarm architecture and communication in between swarm UAV networks also got a special attention in our work. In disaster management the UAV swarm network must have to search a large area. And for this proper path planning algorithm is required. We have discussed the existing path planning algorithm, their advantages and disadvantages in great detail. Formation maintenance of the swarm network is an important issue which has been explored through leader-follower technique. The wireless path loss model has been modelled using friis and ground ray reflection model. Using this path loss models we have managed to create the link budget and simulate the variation of communication link performance with the variation of distance.

With the rising popularity of the internet and the widespread use of networks and information systems via the cloud and data centers, the privacy and security of individuals and organizations have become extremely crucial. In this perspective, encryption consolidates effective technologies that can effectively fulfill these requirements by protecting public information exchanges. To achieve these aims, the researchers used a wide assortment of encryption algorithms to accommodate the varied requirements of this field, as well as focusing on complex mathematical issues during their work to substantially complicate the encrypted communication mechanism. as much as possible to preserve personal information while significantly reducing the possibility of attacks. Depending on how complex and distinct the requirements established by these various applications are, the potential of trying to break them continues to occur, and systems for evaluating and verifying the cryptographic algorithms implemented continue to be necessary. The best approach to analyzing an encryption algorithm is to identify a practical and efficient technique to break it or to learn ways to detect and repair weak aspects in algorithms, which is known as cryptanalysis. Experts in cryptanalysis have discovered several methods for breaking the cipher, such as discovering a critical vulnerability in mathematical equations to derive the secret key or determining the plaintext from the ciphertext. There are various attacks against secure cryptographic algorithms in the literature, and the strategies and mathematical solutions widely employed empower cryptanalysts to demonstrate their findings, identify weaknesses, and diagnose maintenance failures in algorithms.

Data generation and labeling are often expensive in robot learning. Preference-based learning is a concept that enables reliable labeling by querying users with preference questions. Active querying methods are commonly employed in preference-based learning to generate more informative data at the expense of parallelization and computation time. In this paper, we develop a set of novel algorithms, batch active preference-based learning methods, that enable efficient learning of reward functions using as few data samples as possible while still having short query generation times and also retaining parallelizability. We introduce a method based on determinantal point processes (DPP) for active batch generation and several heuristic-based alternatives. Finally, we present our experimental results for a variety of robotics tasks in simulation. Our results suggest that our batch active learning algorithm requires only a few queries that are computed in a short amount of time. We showcase one of our algorithms in a study to learn human users' preferences.

We present CLIPPER+, an algorithm for finding maximal cliques in unweighted graphs for outlier-robust global registration. The registration problem can be formulated as a graph and solved by finding its maximum clique. This formulation leads to extreme robustness to outliers; however, finding the maximum clique is an NP-hard problem, and therefore approximation is required in practice for large-size problems. The performance of an approximation algorithm is evaluated by its computational complexity (the lower the runtime, the better) and solution accuracy (how close the solution is to the maximum clique). Accordingly, the main contribution of CLIPPER+ is outperforming the state-of-the-art in accuracy while maintaining a relatively low runtime. CLIPPER+ builds on prior work (CLIPPER [1] and PMC [2]) and prunes the graph by removing vertices that have a small core number and cannot be a part of the maximum clique. This will result in a smaller graph, on which the maximum clique can be estimated considerably faster. We evaluate the performance of CLIPPER+ on standard graph benchmarks, as well as synthetic and real-world point cloud registration problems. These evaluations demonstrate that CLIPPER+ has the highest accuracy and can register point clouds in scenarios where over $99\%$ of associations are outliers. Our code and evaluation benchmarks are released at https://github.com/ariarobotics/clipperp.

In this paper, we introduce a novel class of fast, beam search-based adversarial attack (BEAST) for Language Models (LMs). BEAST employs interpretable parameters, enabling attackers to balance between attack speed, success rate, and the readability of adversarial prompts. The computational efficiency of BEAST facilitates us to investigate its applications on LMs for jailbreaking, eliciting hallucinations, and privacy attacks. Our gradient-free targeted attack can jailbreak aligned LMs with high attack success rates within one minute. For instance, BEAST can jailbreak Vicuna-7B-v1.5 under one minute with a success rate of 89% when compared to a gradient-based baseline that takes over an hour to achieve 70% success rate using a single Nvidia RTX A6000 48GB GPU. Additionally, we discover a unique outcome wherein our untargeted attack induces hallucinations in LM chatbots. Through human evaluations, we find that our untargeted attack causes Vicuna-7B-v1.5 to produce ~15% more incorrect outputs when compared to LM outputs in the absence of our attack. We also learn that 22% of the time, BEAST causes Vicuna to generate outputs that are not relevant to the original prompt. Further, we use BEAST to generate adversarial prompts in a few seconds that can boost the performance of existing membership inference attacks for LMs. We believe that our fast attack, BEAST, has the potential to accelerate research in LM security and privacy. Our codebase is publicly available at https://github.com/vinusankars/BEAST.

We study the asymptotic error of score-based diffusion model sampling in large-sample scenarios from a non-parametric statistics perspective. We show that a kernel-based score estimator achieves an optimal mean square error of $\widetilde{O}\left(n^{-1} t^{-\frac{d+2}{2}}(t^{\frac{d}{2}} \vee 1)\right)$ for the score function of $p_0*\mathcal{N}(0,t\boldsymbol{I}_d)$, where $n$ and $d$ represent the sample size and the dimension, $t$ is bounded above and below by polynomials of $n$, and $p_0$ is an arbitrary sub-Gaussian distribution. As a consequence, this yields an $\widetilde{O}\left(n^{-1/2} t^{-\frac{d}{4}}\right)$ upper bound for the total variation error of the distribution of the sample generated by the diffusion model under a mere sub-Gaussian assumption. If in addition, $p_0$ belongs to the nonparametric family of the $\beta$-Sobolev space with $\beta\le 2$, by adopting an early stopping strategy, we obtain that the diffusion model is nearly (up to log factors) minimax optimal. This removes the crucial lower bound assumption on $p_0$ in previous proofs of the minimax optimality of the diffusion model for nonparametric families.

It is of paramount importance to enhance medical practices, given how important it is to protect human life. Medical therapy can be accelerated by automating patient prediction using machine learning techniques. To double the efficiency of classifiers, several preprocessing strategies must be adopted for their crucial duty in this field. Feature selection (FS) is one tool that has been used frequently to modify data and enhance classification outcomes by lowering the dimensionality of datasets. Excluded features are those that have a poor correlation coefficient with the label class, that is, they have no meaningful correlation with classification and do not indicate where the instance belongs. Along with the recurring features, which show a strong association with the remainder of the features. Contrarily, the model being produced during training is harmed, and the classifier is misled by their presence. This causes overfitting and increases algorithm complexity and processing time. These are used in exploration to allow solutions to be found more thoroughly and in relation to a chosen solution than at random. TLSO, PLSO, and LLSO stand for Tournament Logarithmic Snake Optimizer, Proportional Logarithmic Snake Optimizer, and Linear Order Logarithmic Snake Optimizer, respectively. A number of 22 reference medical datasets were used in experiments. The findings indicate that, among 86 % of the datasets, TLSO attained the best accuracy, and among 82 % of the datasets, the best feature reduction. In terms of the standard deviation, the TLSO also attained noteworthy reliability and stability. On the basis of running duration, it is, nonetheless, quite effective.

Identifying frequent subgraphs, also called network motifs, is crucial in analyzing and predicting properties of real-world networks. However, finding large commonly-occurring motifs remains a challenging problem not only due to its NP-hard subroutine of subgraph counting, but also the exponential growth of the number of possible subgraphs patterns. Here we present Subgraph Pattern Miner (SPMiner), a novel neural approach for approximately finding frequent subgraphs in a large target graph. SPMiner combines graph neural networks, order embedding space, and an efficient search strategy to identify network subgraph patterns that appear most frequently in the target graph. SPMiner first decomposes the target graph into many overlapping subgraphs and then encodes each subgraph into an order embedding space. SPMiner then uses a monotonic walk in the order embedding space to identify frequent motifs. Compared to existing approaches and possible neural alternatives, SPMiner is more accurate, faster, and more scalable. For 5- and 6-node motifs, we show that SPMiner can almost perfectly identify the most frequent motifs while being 100x faster than exact enumeration methods. In addition, SPMiner can also reliably identify frequent 10-node motifs, which is well beyond the size limit of exact enumeration approaches. And last, we show that SPMiner can find large up to 20 node motifs with 10-100x higher frequency than those found by current approximate methods.