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Deep Learning · Generative Models and Autoencoders

Yuchen Yang, Wenze Lin, Enhao Huang, Zhixuan Chu, Hongbin zhou, Lan Tao, Yiming Li, Zhan Qin, Kui Ren

Large Language Models (LLMs) have seen remarkable advancements, achieving state-of-the-art results in diverse applications. Fine-tuning, an important step for adapting LLMs to specific downstream tasks, typically involves further training on corresponding datasets. However, a fundamental discrepancy exists between current fine-tuning datasets and the token-level optimization mechanism of LLMs: most datasets are designed at the sentence-level, which introduces token-level noise, causing negative influence to final performance. In this paper, we propose XTF, an explainable token-level noise filtering framework. XTF decomposes the complex and subtle contributions of token-level data to the fine-tuning process into three distinct and explicit attributes (reasoning importance, knowledge novelty, and task relevance), which can be assessed using scoring methods, and then masks the gradients of selected noisy tokens accordingly to optimize the performance of fine-tuned LLMs. We conduct extensive experiments on three representative downstream tasks (math, code and medicine) across 7 mainstream LLMs. The results demonstrate that XTF can significantly improve downstream performance by up to 13.7% compared to regular fine-tuning. Our work highlights the importance of token-level dataset optimization, and demonstrates the potential of strategies based on attribute decomposition for explaining complex training mechanisms.

Deep Learning · Graph Neural Networks

Rishabh Jain, Keisuke Okumura, Michael Amir, Pietro Lio, Amanda Prorok

Multi-Agent Path Finding (MAPF) is a representative multi-agent coordination problem, where multiple agents are required to navigate to their respective goals without collisions. Solving MAPF optimally is known to be NP-hard, leading to the adoption of learning-based approaches to alleviate the online computational burden. Prevailing approaches, such as Graph Neural Networks (GNNs), are typically constrained to *pairwise* message passing between agents. However, this limitation leads to suboptimal behaviours and critical issues, such as attention dilution, particularly in dense environments where group (i.e. beyond just two agents) coordination is most critical. Despite the importance of such higher-order interactions, existing approaches have not been able to fully explore them. To address this representational bottleneck, we introduce HMAGAT (Hypergraph Multi-Agent Attention Network), a novel architecture that leverages attentional mechanisms over directed hypergraphs to explicitly capture group dynamics. Empirically, HMAGAT establishes a new state-of-the-art among learning-based MAPF solvers: e.g., despite having just 1M parameters and being trained on 100$\times$ less data, it outperforms the current SoTA 85M parameter model. Through detailed analysis of HMAGAT's attention values, we demonstrate how hypergraph representations mitigate the attention dilution inherent in GNNs and capture complex interactions where pairwise methods fail. Our results illustrate that appropriate inductive biases are often more critical than the training data size or sheer parameter count for multi-agent problems.

Neil Kale, Chen Bo Calvin Zhang, Kevin Zhu, Ankit Aich, Paula Rodriguez, Christina Knight, Zifan Wang

We stress test monitoring systems for detecting covert misbehavior in LLM agents (e.g., secretly exfiltrating data). We propose a monitor red teaming (MRT) workflow that varies agent and monitor awareness, adversarial evasion strategies, and evaluation across tool-calling (SHADE-Arena) and computer-use (CUA-SHADE-Arena) environments. We benchmark standard monitor scaffoldings and introduce a hybrid hierarchical--sequential design. Our experiments yield three findings. First, agent awareness dominates monitor awareness: agents that know they are monitored substantially degrade detection, while increasing monitor awareness helps less than expected. Second, monitor scaffolding matters: our hybrid design consistently outperforms baselines and enables weaker monitors to oversee stronger agents (a weak-to-strong effect). Third, targeted human oversight is key: escalating only pre-flagged cases improves TPR by 15% at FPR=0.01. Our work positions MRT as a standard workflow for stress-testing oversight, revealing robustness gaps in both LLM- and human-based monitoring. We release code, data, and logs to support further research.

Social Aspects · Trustworthy Machine Learning

Hwan Chang, Yonghyun Jun, Hwanhee Lee

The growing deployment of large language model (LLM) based agents that interact with external environments has created new attack surfaces for adversarial manipulation. One major threat is indirect prompt injection, where attackers embed malicious instructions in external environment output, causing agents to interpret and execute them as if they were legitimate prompts. While previous research has focused primarily on plain-text injection attacks, we find a significant yet underexplored vulnerability: LLMs' dependence on structured chat templates and their susceptibility to contextual manipulation through persuasive multi-turn dialogues. To this end, we introduce ChatInject, an attack that formats malicious payloads to mimic native chat templates, thereby exploiting the model's inherent instruction-following tendencies. Building on this foundation, we develop a template-based Multi-turn variant that primes the agent across conversational turns to accept and execute otherwise suspicious actions. Through comprehensive experiments across frontier LLMs, we demonstrate three critical findings: (1) ChatInject achieves significantly higher average attack success rates than traditional prompt injection methods, improving from 5.18% to 32.05% on AgentDojo and from 15.13% to 45.90% on InjecAgent, with multi-turn dialogues showing particularly strong performance at average 52.33% success rate on InjecAgent, (2) chat-template-based payloads demonstrate strong transferability across models and remain effective even against closed-source LLMs, despite their unknown template structures, and (3) existing prompt-based defenses are largely ineffective against this attack approach, especially against Multi-turn variants. These findings highlight vulnerabilities in current agent systems. The code is available at https://github.com/hwanchang00/ChatInject.

Revanth Gangi Reddy, Tarun Suresh, JaeHyeok Doo, Ye Liu, Xuan-Phi Nguyen, Yingbo Zhou, Semih Yavuz, Caiming Xiong, Heng Ji, Shafiq Joty

Software issue localization, the task of identifying the precise code locations (files, classes, or functions) relevant to a natural language issue description (e.g., bug report, feature request), is a critical yet time-consuming aspect of software development. While recent LLM-based agentic approaches demonstrate promise, they often incur significant latency and cost due to complex multi-step reasoning and relying on closed-source LLMs. Alternatively, traditional code ranking models, typically optimized for query-to-code or code-to-code retrieval, struggle with the verbose and failure-descriptive nature of issue localization queries. To bridge this gap, we introduce SWERank, an efficient and effective retrieve-and-rerank framework for software issue localization. To facilitate training, we construct SWELoc, a large-scale dataset curated from public GitHub repositories, featuring real-world issue descriptions paired with corresponding code modifications. Empirical results on SWE-Bench-Lite and LocBench show that SWERank achieves state-of-the-art performance, outperforming both prior ranking models and costly agent-based systems using closed-source LLMs like Claude-3.5. Further, we demonstrate SWELoc's utility in enhancing various existing retriever and reranker models for issue localization, establishing the dataset as a valuable resource for the community.

Applications · Neuroscience, Cognitive Science

Zizhan He, Maxime Daigle, Pouya Bashivan

Many animals possess a remarkable capacity to rapidly construct flexible cognitive maps of their environments. These maps are crucial for ethologically relevant behaviors such as navigation, exploration, and planning. Existing computational models typically require long sequential trajectories to build accurate maps, but neuroscience evidence suggests maps can also arise from integrating disjoint experiences governed by consistent spatial rules. We introduce the Episodic Spatial World Model (ESWM), a novel framework that constructs spatial maps from sparse, disjoint episodic memories. Across environments of varying complexity, ESWM predicts unobserved transitions from minimal experience, and the geometry of its latent space aligns with that of the environment. Because it operates on episodic memories that can be independently stored and updated, ESWM is inherently adaptive, enabling rapid adjustment to environmental changes. Furthermore, we demonstrate that ESWM readily enables near-optimal strategies for exploring novel environments and navigating between arbitrary points, all without the need for additional training. Our work demonstrates how neuroscience-inspired principles of episodic memory can advance the development of more flexible and generalizable world models.

Deep Learning · Generative Models and Autoencoders

Melika Mobini, Vincent Holst, Floriano Tori, Andres Algaba, Vincent Ginis

Large language models are increasingly used to curate bibliographies, raising the question: are their reference lists distinguishable from human ones? We build paired citation graphs, ground truth and GPT-4o-generated (from parametric knowledge), for 10,000 focal papers ($\approx$ 275k references) from SciSciNet, and added a field-matched random baseline that preserves out-degree and field distributions while breaking latent structure. We compare (i) structure-only node features (degree/closeness/eigenvector centrality, clustering, edge count) with (ii) 3072-D title/abstract embeddings, using an RF on graph-level aggregates and Graph Neural Networks with node features. Structure alone barely separates GPT from ground truth (RF accuracy $\approx$ 0.60) despite cleanly rejecting the random baseline ($\approx$ 0.89--0.92). By contrast, embeddings sharply increase separability: RF on aggregated embeddings reaches $\approx$ 0.83, and GNNs with embedding node features achieve 93\% test accuracy on GPT vs.\ ground truth. We show the robustness of our findings by replicating the pipeline with Claude Sonnet 4.5 and with multiple embedding models (OpenAI and SPECTER), with RF separability for ground truth vs.\ Claude $\approx 0.77$ and clean rejection of the random baseline. Thus, LLM bibliographies, generated purely from parametric knowledge, closely mimic human citation topology, but leave detectable semantic fingerprints; detection and debiasing should target content signals rather than global graph structure.

Deep Learning · Attention Mechanisms

Yunzhe Hu, Difan Zou, Dong Xu

Transformer-based models have achieved remarkable success, but their core components, Transformer layers, are largely heuristics-driven and engineered from the bottom up, calling for a prototypical model with high interpretability and practical competence. To this end, we conceptualize a principled, top-down approach grounded in energy-based interpretation. Specifically, we formalize token dynamics as a joint maximum likelihood estimation on the hypersphere, featuring two properties: semantic alignment in the high-dimensional space and distributional uniformity in the low-dimensional space. By quantifying them with extended Hopfield energy functions, we instantiate this idea as a constrained energy minimization problem, which enables designs of symmetric attention and feedforward modules with RMS normalization. We further present *Hyper-Spherical Energy Transformer* (Hyper-SET), a recurrent-depth alternative to vanilla Transformers naturally emerging from iterative energy optimization on the hypersphere. With shared parameters across layers, Hyper-SET can scale to arbitrary depth with fewer parameters. Theoretically grounded and compact, it achieves competitive or superior performance across diverse tasks, including Sudoku solving, image classification, and masked image modeling. We also design novel variations under the proposed general principle, such as linear attention and gated feedforward layer, and showcase its scalability with depth-wise LoRA. Our results highlight Hyper-SET as a step toward interpretable and principled Transformer design. Code is availabel at https://github.com/huyunzhe/hyper-set.

Deep Learning · Generative Models and Autoencoders

Sijia Liu, Niklas Muennighoff, Kawin Ethayarajh

Online alignment (e.g., GRPO) is generally more performant than offline alignment (e.g., DPO)---but why? Drawing on prospect theory from behavioral economics, we propose a human-centric explanation. We prove that online on-policy sampling better approximates the human-perceived distribution of what the model can produce, and PPO/GRPO-style clipping---originally introduced to just stabilize training---recovers a perceptual bias in how humans perceive probability. In this sense, PPO/GRPO act as perceptual losses already. Our theory further suggests that the online/offline dichotomy is itself incidental to maximizing human utility, since we can achieve the same effect by selectively training on any data in a manner that mimics human perception, rather than restricting ourselves to online on-policy data. Doing so would allow us to post-train more quickly, cheaply, and flexibly without sacrificing performance. To this end, we propose a design pattern that explicitly incorporates perceptual distortions of probability into objectives like DPO/KTO/GRPO, creating $\textit{humanline variants}$ of them. Surprisingly, we find that these humanline variants, even when trained with offline off-policy data, can match the performance of their online counterparts on both verifiable and unverifiable tasks.

Social Aspects · Trustworthy Machine Learning

Johnny Wei, Ameya Godbole, Mohammad Aflah Khan, Ryan Wang, Xiaoyuan Zhu, James Flemings, Nitya Kashyap, Krishna Gummadi, Willie Neiswanger, Robin Jia

We present Hubble, a suite of fully open-source large language models (LLMs) for the scientific study of LLM memorization. Hubble models come in standard and perturbed variants: standard models are pretrained on a large English corpus, and perturbed models are trained in the same way but with controlled insertion of text (e.g., book passages, biographies, and test sets) designed to emulate key memorization risks. Our core release includes 8 models---standard and perturbed models with 1B or 8B parameters, pretrained on 100B or 500B tokens---establishing that memorization risks are determined by the frequency of sensitive data relative to size of the training corpus (i.e., a password appearing once in a smaller corpus is memorized better than the same password in a larger corpus). Our release also includes 6 perturbed models with text inserted at different pretraining phases, showing that sensitive data without continued exposure can be forgotten. These findings suggest two best practices for addressing memorization risks: to dilute sensitive data by increasing the size of the training corpus, and to order sensitive data to appear earlier in training. Beyond these general empirical findings, Hubble enables a broad range of memorization research; for example, analyzing the biographies reveals how readily different types of private information are memorized. We also demonstrate that the randomized insertions in Hubble make it an ideal testbed for membership inference and machine unlearning, and invite the community to further explore, benchmark, and build upon our work.

Computer Vision · Vision Models & Multimodal

Wenqing Wang, Da Li, Xiatian Zhu, Josef Kittler

Fine-tuning vision-language models (VLMs) such as CLIP often leads to catastrophic forgetting of pretrained knowledge. Prior work primarily aims to mitigate forgetting during adaptation; however, forgetting often remains inevitable during this process. We introduce a novel paradigm, continued fine-tuning (CFT), which seeks to recover pretrained knowledge after a zero-shot model has already been adapted. We propose a simple, model-agnostic CFT strategy (named MergeTune) guided by linear mode connectivity (LMC), which can be applied post hoc to existing fine-tuned models without requiring architectural changes. Given a fine-tuned model, we continue fine-tuning its trainable parameters (e.g., soft prompts or linear heads) to search for a continued model which has two low-loss paths to the zero-shot (e.g., CLIP) and the fine-tuned (e.g., CoOp) solutions. By exploiting the geometry of the loss landscape, the continued model implicitly merges the two solutions, restoring pretrained knowledge lost in the fine-tuned counterpart. A challenge is that the vanilla LMC constraint requires data replay from the pretraining task. We approximate this constraint for the zero-shot model via a second-order surrogate, eliminating the need for large-scale data replay. Experiments show that MergeTune improves the harmonic mean of CoOp by +5.6\% on base-novel generalisation without adding parameters. On robust fine-tuning evaluations, the LMC-merged model from MergeTune surpasses ensemble baselines with lower inference cost, achieving further gains and state-of-the-art results when ensembled with the zero-shot model.

Social Aspects · Trustworthy Machine Learning

Johnny Wei, Ameya Godbole, Mohammad Aflah Khan, Ryan Wang, Xiaoyuan Zhu, James Flemings, Nitya Kashyap, Krishna Gummadi, Willie Neiswanger, Robin Jia

We present Hubble, a suite of fully open-source large language models (LLMs) for the scientific study of LLM memorization. Hubble models come in standard and perturbed variants: standard models are pretrained on a large English corpus, and perturbed models are trained in the same way but with controlled insertion of text (e.g., book passages, biographies, and test sets) designed to emulate key memorization risks. Our core release includes 8 models---standard and perturbed models with 1B or 8B parameters, pretrained on 100B or 500B tokens---establishing that memorization risks are determined by the frequency of sensitive data relative to size of the training corpus (i.e., a password appearing once in a smaller corpus is memorized better than the same password in a larger corpus). Our release also includes 6 perturbed models with text inserted at different pretraining phases, showing that sensitive data without continued exposure can be forgotten. These findings suggest two best practices for addressing memorization risks: to dilute sensitive data by increasing the size of the training corpus, and to order sensitive data to appear earlier in training. Beyond these general empirical findings, Hubble enables a broad range of memorization research; for example, analyzing the biographies reveals how readily different types of private information are memorized. We also demonstrate that the randomized insertions in Hubble make it an ideal testbed for membership inference and machine unlearning, and invite the community to further explore, benchmark, and build upon our work.

Deep Learning · Robustness

Will Schwarzer, Andrea Fanelli, Philip Thomas, Xiaoyu Liu

Deep noise suppression (DNS) models enjoy widespread use throughout a variety of high-stakes speech applications. However, we show that four recent DNS models can each be reduced to outputting unintelligible gibberish through the addition of psychoacoustically hidden adversarial noise, even in low-background-noise and simulated over-the-air settings. For three of the models, a small transcription study with audio and multimedia experts confirms unintelligibility of the attacked audio; simultaneously, an ABX study shows that the adversarial noise is generally imperceptible, with some variance between participants and samples. While we also establish several negative results around targeted attacks and model transfer, our results nevertheless highlight the need for practical countermeasures before open-source DNS systems can be used in safety-critical applications.

General Machine Learning · Transfer, Multitask and Meta-learning

Divyam Madaan, Sumit Chopra, Kyunghyun Cho

Machine learning (ML) models often struggle to maintain performance under distribution shifts, leading to inaccurate predictions on unseen future data. In this work, we investigate whether and under what conditions models can achieve such a generalization when relying solely on past data. We explore two primary approaches: convex combinations of past model parameters (parameter interpolation) and explicit extrapolation beyond the convex hull of past parameters (parameter extrapolation). We benchmark several methods within these categories on a diverse set of temporal tasks, including language modeling, news summarization, news tag prediction, academic paper categorization, satellite image-based land use classification over time, and historical yearbook photo gender prediction. Our empirical findings show that none of the evaluated methods consistently outperforms the simple baseline of using the latest available model parameters in all scenarios. In the absence of access to future data or robust assumptions about the underlying data-generating process, these results underscore the inherent difficulties of generalizing and extrapolating to future data and warrant caution when evaluating claims of such generalization.

Deep Learning · Generative Models and Autoencoders

Yunhong Min, Juil Koo, Seungwoo Yoo, Minhyuk Sung

We introduce BézierFlow, a lightweight training approach for few-step generation with pretrained diffusion and flow models. BézierFlow achieves a 2–3× performance improvement for sampling with $\leq$ 10 NFEs while requiring only 15 minutes of training. Recent lightweight training approaches have shown promise by learning optimal timesteps, but their scope remains restricted to ODE discretizations. To broaden this scope, we propose learning the optimal transformation of the sampling trajectory by parameterizing stochastic interpolant (SI) schedulers. The main challenge lies in designing a parameterization that satisfies critical desiderata, including boundary conditions, differentiability, and monotonicity of the SNR. To effectively meet these requirements, we represent scheduler functions as Bézier functions, where control points naturally enforce these properties. This reduces the problem to learning an ordered set of points in the time range, while the interpretation of the points changes from ODE timesteps to Bézier control points. Across a range of pretrained diffusion and flow models, BézierFlow consistently outperforms prior timestep-learning methods, demonstrating the effectiveness of expanding the search space from discrete timesteps to Bézier-based trajectory transformations.

Mingue Park, Jisung Hwang, Seungwoo Yoo, Kyeongmin Yeo, Minhyuk Sung

We introduce $\texttt{PairFlow}$, a lightweight preprocessing step for training Discrete Flow Models (DFMs) to achieve few-step sampling without requiring a pretrained teacher. DFMs have recently emerged as a new class of generative models for discrete data, offering strong performance. However, they suffer from slow sampling due to their iterative nature. Existing acceleration methods largely depend on finetuning, which introduces substantial additional training overhead. $\texttt{PairFlow}$ addresses this issue with a lightweight preprocessing step. Inspired by ReFlow and its extension to DFMs, we train DFMs from coupled samples of source and target distributions, without requiring any pretrained teacher. At the core of our approach is a closed-form inversion for DFMs, which allows efficient construction of paired source–target samples. Despite its extremely low cost, taking only up to 1.7\% of the compute needed for full model training, $\texttt{PairFlow}$ matches or even surpasses the performance of two-stage training involving finetuning. Furthermore, models trained with our framework provide stronger base models for subsequent distillation, yielding further acceleration after finetuning. Experiments on molecular data as well as binary and RGB images demonstrate the broad applicability and effectiveness of our approach.

Deep Learning · Algorithms

Sudong Cai, Shuyuan Zheng, Bingzhi Chen, Shuai Yuan, Chuan Xiao, Jianbin Qin, Bing WANG

Neural networks necessitate nonlinearities to achieve universal approximability. Traditional activation functions introduce nonlinearities through rigid feature rectifications. Recent self-gated variants improve traditional methods in fitting flexibility by incorporating learnable content-aware factors and non-local dependencies, enabling dynamic adjustments to activation curves via adaptive translation and scaling. While SOTA approaches achieve notable gains in conventional CNN layers, they struggle to enhance Transformer layers, where fine-grained context is inherently modeled, severely reducing the effectiveness of non-local dependencies leveraged in activation processes. We refer to this critical yet unexplored challenge as the **non-local tension** of activation. Drawing on a decision-making perspective, we systematically analyze the origins of the non-local tension problem and explore the initial solution to foster a more discriminative and generalizable neural activation methodology. This is achieved by rethinking how non-local cues are encoded and transformed into adaptive scaling coefficients, which in turn recalibrate the contributions of features to filter updates through neural activation. Grounded in these insights, we present **FleS**, a novel self-gated activation model for discriminative pattern recognition. Extensive experiments on various popular benchmarks validate our interpretable methodology for improving neural activation modeling.

General Machine Learning · Representation Learning

Siyue Zhang, Yuan Gao, Xiao Zhou, Yilun Zhao, Tingyu Song, Arman Cohan, Anh Tuan Luu, Chen Zhao

We introduce MRMR, the first expert-level multidisciplinary multimodal retrieval benchmark requiring intensive reasoning. MRMR contains 1,435 queries spanning 23 domains, with positive documents carefully verified by human experts. Compared to prior benchmarks, MRMR introduces three key advancements. First, it challenges retrieval systems across diverse areas of expertise, enabling fine-grained model comparison across domains. Second, queries are reasoning-intensive, with images requiring deeper interpretation such as diagnosing microscopic slides. We further introduce Contradiction Retrieval, a novel task requiring models to identify conflicting concepts. Finally, queries and documents are constructed as image–text interleaved sequences. Unlike earlier benchmarks restricted to single images or unimodal documents, MRMR offers a realistic setting with multi-image queries and mixed-modality corpus documents. We conduct an extensive evaluation of 4 categories of multimodal retrieval systems and 14 frontier models on MRMR. The text embedding model Qwen3-Embedding with LLM-generated image captions achieves the highest performance, highlighting substantial room for improving multimodal retrieval models. Although latest multimodal models such as Ops-MM-Embedding perform competitively on expert-domain queries, they fall short on reasoning-intensive tasks. We believe that MRMR paves the way for advancing multimodal retrieval in more realistic and challenging scenarios.

Computer Vision · Vision Models & Multimodal

Yueming Xu, Jiahui Zhang, Ze Huang, Yurui Chen, Yanpeng Zhou, Dave Chen, Yu-Jie Yuan, Pengxiang Xia, Guowei Huang, Xinyue Cai 等

Despite the impressive progress on understanding and generating images shown by the recent unified architectures, the integration of 3D tasks remains challenging and largely unexplored. In this paper, we introduce UniUGG, the first unified understanding and generation framework for 3D modalities. Our unified framework employs an LLM to comprehend and decode sentences and 3D representations. At its core, we propose a spatial decoder leveraging a latent diffusion model to generate high-quality 3D representations. This allows for the generation and imagination of 3D scenes based on a reference image and an arbitrary view transformation, while remaining supports for spatial visual question answering (VQA) tasks. Additionally, we propose a geometric-semantic learning strategy to pretrain the vision encoder. This design jointly captures the input's semantic and geometric cues, enhancing both spatial understanding and generation. Extensive experimental results demonstrate the superiority of our method in visual representation, spatial understanding, and 3D generation.

Applications · Robotics

Jinbang Huang, Yixin Xiao, Zhanguang Zhang, Mark Coates, Jianye Hao, Yingxue Zhang

Pre-trained large language models (LLMs) show promise for robotic task planning but often struggle to guarantee correctness in long-horizon problems. Task and motion planning (TAMP) addresses this by grounding symbolic plans in low-level execution, yet it relies heavily on manually engineered planning domains. To improve long-horizon planning reliability and reduce human intervention, we present Planning Domain Derivation with LLMs (PDDLLM), a framework that automatically induces symbolic predicates and actions directly from demonstration trajectories by combining LLM reasoning with physical simulation roll-outs. Unlike prior domain-inference methods that rely on partially predefined or language descriptions of planning domains, PDDLLM constructs domains with minimal manual domain initialization and automatically integrates them with motion planners to produce executable plans, enhancing long-horizon planning automation. Across 1,200 tasks in nine environments, PDDLLM outperforms six LLM-based planning baselines, achieving at least 20% higher success rates, reduced token costs, and successful deployment on multiple physical robot platforms.